         160
 Ead:  -1.37859881     out: a-111-Gph-Rlx|gnp-2.40-0.72-0.25.out                        
 H   -1.27334642       2.46135473       8.80600739               0
 C   -1.20999336       2.47428155       7.71296453               0
 H   -1.10054851      0.330608308       7.59245539               0
 C   -1.09738111       1.26094294       7.01990414               0
 H  -0.469121218      -1.28475499       6.59856796               0
 C  -0.656865120      -1.25655150       5.52251244               0
 H  -0.476381063      -3.37517571       5.37586451               0
 C  -0.663306236      -2.45021892       4.82411528               0
 H   -1.06172729      -5.03513718       4.45823002               0
 C   -1.12605333      -4.98835850       3.36894274               0
 H   -1.36179566      -7.13003540       3.20726395               0
 C   -1.30153704      -6.18403339       2.65882134               0
 H   -1.31883335       4.62113428       7.57680559               0
 C   -1.24428082       3.67552733       7.03013468               0
 C   -1.18646193       3.69786239       5.61062193               0
 C   -1.00673699       1.22290969       5.62164545               0
 C   -1.07580066       2.45122933       4.89836311               0
 C  -0.880956650      -2.53989100E-02   4.88267756               0
 C  -0.977123260      -1.89011097E-02   3.46183014               0
 C  -0.905524731      -2.49320936       3.43986225               0
 C  -0.998413801      -1.25539553       2.73988390               0
 C   -1.06398344      -3.74828267       2.71671128               0
 C   -1.20613146      -3.71669316       1.29683387               0
 C   -1.41186523      -6.17333508       1.28100312               0
 C   -1.36974573      -4.94719601      0.565926552               0
 H   -1.54484367      -7.10695934      0.725741029               0
 H   -1.32717133       5.84474087       5.43639517               0
 C   -1.23297596       4.90209293       4.88662529               0
 C   -1.15422583       4.93013954       3.48573995               0
 C   -1.05094862       2.45542359       3.47489095               0
 C   -1.07476330       3.68397665       2.76492476               0
 C   -1.03406763       1.21979260       2.75160861               0
 C   -1.05683708       1.22648954       1.33433056               0
 C   -1.10653806      -1.24153674       1.31469715               0
 C   -1.10575867      -9.15735960E-03  0.613539040               0
 C   -1.19884539      -2.47712684      0.595600486               0
 C   -1.30541992      -2.46068311     -0.819599032               0
 C   -1.49537468      -4.90562725     -0.833726048               0
 C   -1.45839500      -3.69773126      -1.54536033               0
 H   -1.61514139      -5.84521008      -1.38399684               0
 H   -1.21212864       7.08790779       3.30375099               0
 C   -1.15258145       6.14160156       2.75490689               0
 C   -1.05793071       6.16615772       1.36591864               0
 C   -1.02623105       3.69321728       1.34475696               0
 C  -0.994656801       4.92542934      0.638683200               0
 C   -1.02177286       2.46090794      0.619946241               0
 C  -0.983382702       2.46688533     -0.799974680               0
 C   -1.14251041       4.73618507E-03 -0.812625766               0
 C   -1.05129719       1.23322237      -1.52023840               0
 C   -1.25557470      -1.22920167      -1.52695727               0
 C   -1.29963875      -1.22223186      -2.94681430               0
 C   -1.56096745      -3.65470815      -2.95566988               0
 C   -1.46360254      -2.46008110      -3.66398978               0
 H   -1.69545603      -4.59340382      -3.50436115               0
 H   -1.08292961       8.33723164       1.18194032               0
 C   -1.02170968       7.39494133      0.626926661               0
 C  -0.906689644       7.39802170     -0.733370781               0
 C  -0.899937391       4.93260670     -0.779441476               0
 C  -0.831307650       6.17701721      -1.47609305               0
 C  -0.888856888       3.70156026      -1.51009107               0
 C  -0.792357445       3.71488023      -2.93473792               0
 C   -1.02698040       1.23814726      -2.94770813               0
 C  -0.862741232       2.46090579      -3.66685224               0
 C   -1.16220140       1.28400326E-03  -3.65688348               0
 C   -1.14627838      -1.05441213E-02  -5.08508968               0
 C   -1.49645090      -2.42289758      -5.09716558               0
 C   -1.32876587      -1.25065625      -5.77694893               0
 H   -1.64599228      -3.36489606      -5.63575411               0
 H  -0.875229120       8.34529018      -1.28302407               0
 C  -0.682822704       6.15655518      -2.87435651               0
 H  -0.597823858       7.10768414      -3.41031122               0
 C  -0.655229092       4.96454716      -3.57783747               0
 H  -0.535672188       5.00987625      -4.66244173               0
 C  -0.798554659       2.39779139      -5.07677364               0
 H  -0.646823645       3.30977869      -5.65835428               0
 C  -0.940133572       1.20394790      -5.76367331               0
 H  -0.902195930       1.19495332      -6.85834551               0
 H   -1.32602978      -1.24273360      -6.87312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.21023345     out: a-111-Gph-Rlx|gnp-2.40-0.72-0.50.out                        
 H   -1.27334642       2.46135473       9.05600739               0
 C   -1.20999336       2.47428155       7.96296453               0
 H   -1.10054851      0.330608308       7.84245539               0
 C   -1.09738111       1.26094294       7.26990414               0
 H  -0.469121218      -1.28475499       6.84856796               0
 C  -0.656865120      -1.25655150       5.77251244               0
 H  -0.476381063      -3.37517571       5.62586451               0
 C  -0.663306236      -2.45021892       5.07411528               0
 H   -1.06172729      -5.03513718       4.70823002               0
 C   -1.12605333      -4.98835850       3.61894274               0
 H   -1.36179566      -7.13003540       3.45726395               0
 C   -1.30153704      -6.18403339       2.90882134               0
 H   -1.31883335       4.62113428       7.82680559               0
 C   -1.24428082       3.67552733       7.28013468               0
 C   -1.18646193       3.69786239       5.86062193               0
 C   -1.00673699       1.22290969       5.87164545               0
 C   -1.07580066       2.45122933       5.14836311               0
 C  -0.880956650      -2.53989100E-02   5.13267756               0
 C  -0.977123260      -1.89011097E-02   3.71183014               0
 C  -0.905524731      -2.49320936       3.68986225               0
 C  -0.998413801      -1.25539553       2.98988390               0
 C   -1.06398344      -3.74828267       2.96671128               0
 C   -1.20613146      -3.71669316       1.54683387               0
 C   -1.41186523      -6.17333508       1.53100312               0
 C   -1.36974573      -4.94719601      0.815926552               0
 H   -1.54484367      -7.10695934      0.975741029               0
 H   -1.32717133       5.84474087       5.68639517               0
 C   -1.23297596       4.90209293       5.13662529               0
 C   -1.15422583       4.93013954       3.73573995               0
 C   -1.05094862       2.45542359       3.72489095               0
 C   -1.07476330       3.68397665       3.01492476               0
 C   -1.03406763       1.21979260       3.00160861               0
 C   -1.05683708       1.22648954       1.58433056               0
 C   -1.10653806      -1.24153674       1.56469715               0
 C   -1.10575867      -9.15735960E-03  0.863539040               0
 C   -1.19884539      -2.47712684      0.845600486               0
 C   -1.30541992      -2.46068311     -0.569599032               0
 C   -1.49537468      -4.90562725     -0.583726048               0
 C   -1.45839500      -3.69773126      -1.29536033               0
 H   -1.61514139      -5.84521008      -1.13399684               0
 H   -1.21212864       7.08790779       3.55375099               0
 C   -1.15258145       6.14160156       3.00490689               0
 C   -1.05793071       6.16615772       1.61591864               0
 C   -1.02623105       3.69321728       1.59475696               0
 C  -0.994656801       4.92542934      0.888683200               0
 C   -1.02177286       2.46090794      0.869946241               0
 C  -0.983382702       2.46688533     -0.549974680               0
 C   -1.14251041       4.73618507E-03 -0.562625766               0
 C   -1.05129719       1.23322237      -1.27023840               0
 C   -1.25557470      -1.22920167      -1.27695727               0
 C   -1.29963875      -1.22223186      -2.69681430               0
 C   -1.56096745      -3.65470815      -2.70566988               0
 C   -1.46360254      -2.46008110      -3.41398978               0
 H   -1.69545603      -4.59340382      -3.25436115               0
 H   -1.08292961       8.33723164       1.43194032               0
 C   -1.02170968       7.39494133      0.876926661               0
 C  -0.906689644       7.39802170     -0.483370781               0
 C  -0.899937391       4.93260670     -0.529441476               0
 C  -0.831307650       6.17701721      -1.22609305               0
 C  -0.888856888       3.70156026      -1.26009107               0
 C  -0.792357445       3.71488023      -2.68473792               0
 C   -1.02698040       1.23814726      -2.69770813               0
 C  -0.862741232       2.46090579      -3.41685224               0
 C   -1.16220140       1.28400326E-03  -3.40688348               0
 C   -1.14627838      -1.05441213E-02  -4.83508968               0
 C   -1.49645090      -2.42289758      -4.84716558               0
 C   -1.32876587      -1.25065625      -5.52694893               0
 H   -1.64599228      -3.36489606      -5.38575411               0
 H  -0.875229120       8.34529018      -1.03302407               0
 C  -0.682822704       6.15655518      -2.62435651               0
 H  -0.597823858       7.10768414      -3.16031122               0
 C  -0.655229092       4.96454716      -3.32783747               0
 H  -0.535672188       5.00987625      -4.41244173               0
 C  -0.798554659       2.39779139      -4.82677364               0
 H  -0.646823645       3.30977869      -5.40835428               0
 C  -0.940133572       1.20394790      -5.51367331               0
 H  -0.902195930       1.19495332      -6.60834551               0
 H   -1.32602978      -1.24273360      -6.62312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.09545112     out: a-111-Gph-Rlx|gnp-2.40-0.72-0.75.out                        
 H   -1.27334642       2.46135473       9.30600739               0
 C   -1.20999336       2.47428155       8.21296501               0
 H   -1.10054851      0.330608308       8.09245491               0
 C   -1.09738111       1.26094294       7.51990414               0
 H  -0.469121218      -1.28475499       7.09856796               0
 C  -0.656865120      -1.25655150       6.02251244               0
 H  -0.476381063      -3.37517571       5.87586451               0
 C  -0.663306236      -2.45021892       5.32411528               0
 H   -1.06172729      -5.03513718       4.95823002               0
 C   -1.12605333      -4.98835850       3.86894274               0
 H   -1.36179566      -7.13003540       3.70726395               0
 C   -1.30153704      -6.18403339       3.15882134               0
 H   -1.31883335       4.62113428       8.07680511               0
 C   -1.24428082       3.67552733       7.53013468               0
 C   -1.18646193       3.69786239       6.11062193               0
 C   -1.00673699       1.22290969       6.12164545               0
 C   -1.07580066       2.45122933       5.39836311               0
 C  -0.880956650      -2.53989100E-02   5.38267756               0
 C  -0.977123260      -1.89011097E-02   3.96183014               0
 C  -0.905524731      -2.49320936       3.93986225               0
 C  -0.998413801      -1.25539553       3.23988390               0
 C   -1.06398344      -3.74828267       3.21671128               0
 C   -1.20613146      -3.71669316       1.79683387               0
 C   -1.41186523      -6.17333508       1.78100312               0
 C   -1.36974573      -4.94719601       1.06592655               0
 H   -1.54484367      -7.10695934       1.22574103               0
 H   -1.32717133       5.84474087       5.93639517               0
 C   -1.23297596       4.90209293       5.38662529               0
 C   -1.15422583       4.93013954       3.98573995               0
 C   -1.05094862       2.45542359       3.97489095               0
 C   -1.07476330       3.68397665       3.26492476               0
 C   -1.03406763       1.21979260       3.25160861               0
 C   -1.05683708       1.22648954       1.83433056               0
 C   -1.10653806      -1.24153674       1.81469715               0
 C   -1.10575867      -9.15735960E-03   1.11353898               0
 C   -1.19884539      -2.47712684       1.09560049               0
 C   -1.30541992      -2.46068311     -0.319599032               0
 C   -1.49537468      -4.90562725     -0.333726048               0
 C   -1.45839500      -3.69773126      -1.04536033               0
 H   -1.61514139      -5.84521008     -0.883996844               0
 H   -1.21212864       7.08790779       3.80375099               0
 C   -1.15258145       6.14160156       3.25490689               0
 C   -1.05793071       6.16615772       1.86591864               0
 C   -1.02623105       3.69321728       1.84475696               0
 C  -0.994656801       4.92542934       1.13868320               0
 C   -1.02177286       2.46090794       1.11994624               0
 C  -0.983382702       2.46688533     -0.299974680               0
 C   -1.14251041       4.73618507E-03 -0.312625766               0
 C   -1.05129719       1.23322237      -1.02023840               0
 C   -1.25557470      -1.22920167      -1.02695727               0
 C   -1.29963875      -1.22223186      -2.44681430               0
 C   -1.56096745      -3.65470815      -2.45566988               0
 C   -1.46360254      -2.46008110      -3.16398978               0
 H   -1.69545603      -4.59340382      -3.00436115               0
 H   -1.08292961       8.33723164       1.68194032               0
 C   -1.02170968       7.39494133       1.12692666               0
 C  -0.906689644       7.39802170     -0.233370781               0
 C  -0.899937391       4.93260670     -0.279441476               0
 C  -0.831307650       6.17701721     -0.976093054               0
 C  -0.888856888       3.70156026      -1.01009107               0
 C  -0.792357445       3.71488023      -2.43473792               0
 C   -1.02698040       1.23814726      -2.44770813               0
 C  -0.862741232       2.46090579      -3.16685224               0
 C   -1.16220140       1.28400326E-03  -3.15688348               0
 C   -1.14627838      -1.05441213E-02  -4.58508968               0
 C   -1.49645090      -2.42289758      -4.59716558               0
 C   -1.32876587      -1.25065625      -5.27694893               0
 H   -1.64599228      -3.36489606      -5.13575411               0
 H  -0.875229120       8.34529018     -0.783024073               0
 C  -0.682822704       6.15655518      -2.37435651               0
 H  -0.597823858       7.10768414      -2.91031122               0
 C  -0.655229092       4.96454716      -3.07783747               0
 H  -0.535672188       5.00987625      -4.16244173               0
 C  -0.798554659       2.39779139      -4.57677364               0
 H  -0.646823645       3.30977869      -5.15835428               0
 C  -0.940133572       1.20394790      -5.26367331               0
 H  -0.902195930       1.19495332      -6.35834551               0
 H   -1.32602978      -1.24273360      -6.37312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.04995918     out: a-111-Gph-Rlx|gnp-2.40-0.72-1.00.out                        
 H   -1.27334642       2.46135473       9.55600739               0
 C   -1.20999336       2.47428155       8.46296501               0
 H   -1.10054851      0.330608308       8.34245491               0
 C   -1.09738111       1.26094294       7.76990414               0
 H  -0.469121218      -1.28475499       7.34856796               0
 C  -0.656865120      -1.25655150       6.27251244               0
 H  -0.476381063      -3.37517571       6.12586451               0
 C  -0.663306236      -2.45021892       5.57411528               0
 H   -1.06172729      -5.03513718       5.20823002               0
 C   -1.12605333      -4.98835850       4.11894274               0
 H   -1.36179566      -7.13003540       3.95726395               0
 C   -1.30153704      -6.18403339       3.40882134               0
 H   -1.31883335       4.62113428       8.32680511               0
 C   -1.24428082       3.67552733       7.78013468               0
 C   -1.18646193       3.69786239       6.36062193               0
 C   -1.00673699       1.22290969       6.37164545               0
 C   -1.07580066       2.45122933       5.64836311               0
 C  -0.880956650      -2.53989100E-02   5.63267756               0
 C  -0.977123260      -1.89011097E-02   4.21183014               0
 C  -0.905524731      -2.49320936       4.18986225               0
 C  -0.998413801      -1.25539553       3.48988390               0
 C   -1.06398344      -3.74828267       3.46671128               0
 C   -1.20613146      -3.71669316       2.04683399               0
 C   -1.41186523      -6.17333508       2.03100300               0
 C   -1.36974573      -4.94719601       1.31592655               0
 H   -1.54484367      -7.10695934       1.47574103               0
 H   -1.32717133       5.84474087       6.18639517               0
 C   -1.23297596       4.90209293       5.63662529               0
 C   -1.15422583       4.93013954       4.23573971               0
 C   -1.05094862       2.45542359       4.22489071               0
 C   -1.07476330       3.68397665       3.51492476               0
 C   -1.03406763       1.21979260       3.50160861               0
 C   -1.05683708       1.22648954       2.08433056               0
 C   -1.10653806      -1.24153674       2.06469727               0
 C   -1.10575867      -9.15735960E-03   1.36353898               0
 C   -1.19884539      -2.47712684       1.34560049               0
 C   -1.30541992      -2.46068311      -6.95990324E-02           0
 C   -1.49537468      -4.90562725      -8.37260485E-02           0
 C   -1.45839500      -3.69773126     -0.795360327               0
 H   -1.61514139      -5.84521008     -0.633996844               0
 H   -1.21212864       7.08790779       4.05375099               0
 C   -1.15258145       6.14160156       3.50490689               0
 C   -1.05793071       6.16615772       2.11591864               0
 C   -1.02623105       3.69321728       2.09475708               0
 C  -0.994656801       4.92542934       1.38868320               0
 C   -1.02177286       2.46090794       1.36994624               0
 C  -0.983382702       2.46688533      -4.99746799E-02           0
 C   -1.14251041       4.73618507E-03  -6.26257658E-02           0
 C   -1.05129719       1.23322237     -0.770238400               0
 C   -1.25557470      -1.22920167     -0.776957273               0
 C   -1.29963875      -1.22223186      -2.19681430               0
 C   -1.56096745      -3.65470815      -2.20566988               0
 C   -1.46360254      -2.46008110      -2.91398978               0
 H   -1.69545603      -4.59340382      -2.75436115               0
 H   -1.08292961       8.33723164       1.93194032               0
 C   -1.02170968       7.39494133       1.37692666               0
 C  -0.906689644       7.39802170       1.66292191E-02           0
 C  -0.899937391       4.93260670      -2.94414759E-02           0
 C  -0.831307650       6.17701721     -0.726093054               0
 C  -0.888856888       3.70156026     -0.760091066               0
 C  -0.792357445       3.71488023      -2.18473792               0
 C   -1.02698040       1.23814726      -2.19770813               0
 C  -0.862741232       2.46090579      -2.91685224               0
 C   -1.16220140       1.28400326E-03  -2.90688348               0
 C   -1.14627838      -1.05441213E-02  -4.33508968               0
 C   -1.49645090      -2.42289758      -4.34716558               0
 C   -1.32876587      -1.25065625      -5.02694893               0
 H   -1.64599228      -3.36489606      -4.88575411               0
 H  -0.875229120       8.34529018     -0.533024073               0
 C  -0.682822704       6.15655518      -2.12435651               0
 H  -0.597823858       7.10768414      -2.66031122               0
 C  -0.655229092       4.96454716      -2.82783747               0
 H  -0.535672188       5.00987625      -3.91244173               0
 C  -0.798554659       2.39779139      -4.32677364               0
 H  -0.646823645       3.30977869      -4.90835428               0
 C  -0.940133572       1.20394790      -5.01367331               0
 H  -0.902195930       1.19495332      -6.10834551               0
 H   -1.32602978      -1.24273360      -6.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.21441221     out: a-111-Gph-Rlx|gnp-2.40-0.97-0.25.out                        
 H   -1.27334642       2.71135473       8.80600739               0
 C   -1.20999336       2.72428155       7.71296453               0
 H   -1.10054851      0.580608308       7.59245539               0
 C   -1.09738111       1.51094294       7.01990414               0
 H  -0.469121218      -1.03475499       6.59856796               0
 C  -0.656865120      -1.00655150       5.52251244               0
 H  -0.476381063      -3.12517571       5.37586451               0
 C  -0.663306236      -2.20021892       4.82411528               0
 H   -1.06172729      -4.78513718       4.45823002               0
 C   -1.12605333      -4.73835850       3.36894274               0
 H   -1.36179566      -6.88003540       3.20726395               0
 C   -1.30153704      -5.93403339       2.65882134               0
 H   -1.31883335       4.87113428       7.57680559               0
 C   -1.24428082       3.92552733       7.03013468               0
 C   -1.18646193       3.94786239       5.61062193               0
 C   -1.00673699       1.47290969       5.62164545               0
 C   -1.07580066       2.70122933       4.89836311               0
 C  -0.880956650      0.224601090       4.88267756               0
 C  -0.977123260      0.231098890       3.46183014               0
 C  -0.905524731      -2.24320936       3.43986225               0
 C  -0.998413801      -1.00539553       2.73988390               0
 C   -1.06398344      -3.49828267       2.71671128               0
 C   -1.20613146      -3.46669316       1.29683387               0
 C   -1.41186523      -5.92333508       1.28100312               0
 C   -1.36974573      -4.69719601      0.565926552               0
 H   -1.54484367      -6.85695934      0.725741029               0
 H   -1.32717133       6.09474087       5.43639517               0
 C   -1.23297596       5.15209293       4.88662529               0
 C   -1.15422583       5.18013954       3.48573995               0
 C   -1.05094862       2.70542359       3.47489095               0
 C   -1.07476330       3.93397665       2.76492476               0
 C   -1.03406763       1.46979260       2.75160861               0
 C   -1.05683708       1.47648954       1.33433056               0
 C   -1.10653806     -0.991536736       1.31469715               0
 C   -1.10575867      0.240842640      0.613539040               0
 C   -1.19884539      -2.22712684      0.595600486               0
 C   -1.30541992      -2.21068311     -0.819599032               0
 C   -1.49537468      -4.65562725     -0.833726048               0
 C   -1.45839500      -3.44773126      -1.54536033               0
 H   -1.61514139      -5.59521008      -1.38399684               0
 H   -1.21212864       7.33790779       3.30375099               0
 C   -1.15258145       6.39160156       2.75490689               0
 C   -1.05793071       6.41615772       1.36591864               0
 C   -1.02623105       3.94321728       1.34475696               0
 C  -0.994656801       5.17542934      0.638683200               0
 C   -1.02177286       2.71090794      0.619946241               0
 C  -0.983382702       2.71688533     -0.799974680               0
 C   -1.14251041      0.254736185     -0.812625766               0
 C   -1.05129719       1.48322237      -1.52023840               0
 C   -1.25557470     -0.979201674      -1.52695727               0
 C   -1.29963875     -0.972231865      -2.94681430               0
 C   -1.56096745      -3.40470815      -2.95566988               0
 C   -1.46360254      -2.21008110      -3.66398978               0
 H   -1.69545603      -4.34340382      -3.50436115               0
 H   -1.08292961       8.58723164       1.18194032               0
 C   -1.02170968       7.64494133      0.626926661               0
 C  -0.906689644       7.64802170     -0.733370781               0
 C  -0.899937391       5.18260670     -0.779441476               0
 C  -0.831307650       6.42701721      -1.47609305               0
 C  -0.888856888       3.95156026      -1.51009107               0
 C  -0.792357445       3.96488023      -2.93473792               0
 C   -1.02698040       1.48814726      -2.94770813               0
 C  -0.862741232       2.71090579      -3.66685224               0
 C   -1.16220140      0.251284003      -3.65688348               0
 C   -1.14627838      0.239455879      -5.08508968               0
 C   -1.49645090      -2.17289758      -5.09716558               0
 C   -1.32876587      -1.00065625      -5.77694893               0
 H   -1.64599228      -3.11489606      -5.63575411               0
 H  -0.875229120       8.59529018      -1.28302407               0
 C  -0.682822704       6.40655518      -2.87435651               0
 H  -0.597823858       7.35768414      -3.41031122               0
 C  -0.655229092       5.21454716      -3.57783747               0
 H  -0.535672188       5.25987625      -4.66244173               0
 C  -0.798554659       2.64779139      -5.07677364               0
 H  -0.646823645       3.55977869      -5.65835428               0
 C  -0.940133572       1.45394790      -5.76367331               0
 H  -0.902195930       1.44495332      -6.85834551               0
 H   -1.32602978     -0.992733598      -6.87312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.841816902     out: a-111-Gph-Rlx|gnp-2.40-0.97-0.75.out                        
 H   -1.27334642       2.71135473       9.30600739               0
 C   -1.20999336       2.72428155       8.21296501               0
 H   -1.10054851      0.580608308       8.09245491               0
 C   -1.09738111       1.51094294       7.51990414               0
 H  -0.469121218      -1.03475499       7.09856796               0
 C  -0.656865120      -1.00655150       6.02251244               0
 H  -0.476381063      -3.12517571       5.87586451               0
 C  -0.663306236      -2.20021892       5.32411528               0
 H   -1.06172729      -4.78513718       4.95823002               0
 C   -1.12605333      -4.73835850       3.86894274               0
 H   -1.36179566      -6.88003540       3.70726395               0
 C   -1.30153704      -5.93403339       3.15882134               0
 H   -1.31883335       4.87113428       8.07680511               0
 C   -1.24428082       3.92552733       7.53013468               0
 C   -1.18646193       3.94786239       6.11062193               0
 C   -1.00673699       1.47290969       6.12164545               0
 C   -1.07580066       2.70122933       5.39836311               0
 C  -0.880956650      0.224601090       5.38267756               0
 C  -0.977123260      0.231098890       3.96183014               0
 C  -0.905524731      -2.24320936       3.93986225               0
 C  -0.998413801      -1.00539553       3.23988390               0
 C   -1.06398344      -3.49828267       3.21671128               0
 C   -1.20613146      -3.46669316       1.79683387               0
 C   -1.41186523      -5.92333508       1.78100312               0
 C   -1.36974573      -4.69719601       1.06592655               0
 H   -1.54484367      -6.85695934       1.22574103               0
 H   -1.32717133       6.09474087       5.93639517               0
 C   -1.23297596       5.15209293       5.38662529               0
 C   -1.15422583       5.18013954       3.98573995               0
 C   -1.05094862       2.70542359       3.97489095               0
 C   -1.07476330       3.93397665       3.26492476               0
 C   -1.03406763       1.46979260       3.25160861               0
 C   -1.05683708       1.47648954       1.83433056               0
 C   -1.10653806     -0.991536736       1.81469715               0
 C   -1.10575867      0.240842640       1.11353898               0
 C   -1.19884539      -2.22712684       1.09560049               0
 C   -1.30541992      -2.21068311     -0.319599032               0
 C   -1.49537468      -4.65562725     -0.333726048               0
 C   -1.45839500      -3.44773126      -1.04536033               0
 H   -1.61514139      -5.59521008     -0.883996844               0
 H   -1.21212864       7.33790779       3.80375099               0
 C   -1.15258145       6.39160156       3.25490689               0
 C   -1.05793071       6.41615772       1.86591864               0
 C   -1.02623105       3.94321728       1.84475696               0
 C  -0.994656801       5.17542934       1.13868320               0
 C   -1.02177286       2.71090794       1.11994624               0
 C  -0.983382702       2.71688533     -0.299974680               0
 C   -1.14251041      0.254736185     -0.312625766               0
 C   -1.05129719       1.48322237      -1.02023840               0
 C   -1.25557470     -0.979201674      -1.02695727               0
 C   -1.29963875     -0.972231865      -2.44681430               0
 C   -1.56096745      -3.40470815      -2.45566988               0
 C   -1.46360254      -2.21008110      -3.16398978               0
 H   -1.69545603      -4.34340382      -3.00436115               0
 H   -1.08292961       8.58723164       1.68194032               0
 C   -1.02170968       7.64494133       1.12692666               0
 C  -0.906689644       7.64802170     -0.233370781               0
 C  -0.899937391       5.18260670     -0.279441476               0
 C  -0.831307650       6.42701721     -0.976093054               0
 C  -0.888856888       3.95156026      -1.01009107               0
 C  -0.792357445       3.96488023      -2.43473792               0
 C   -1.02698040       1.48814726      -2.44770813               0
 C  -0.862741232       2.71090579      -3.16685224               0
 C   -1.16220140      0.251284003      -3.15688348               0
 C   -1.14627838      0.239455879      -4.58508968               0
 C   -1.49645090      -2.17289758      -4.59716558               0
 C   -1.32876587      -1.00065625      -5.27694893               0
 H   -1.64599228      -3.11489606      -5.13575411               0
 H  -0.875229120       8.59529018     -0.783024073               0
 C  -0.682822704       6.40655518      -2.37435651               0
 H  -0.597823858       7.35768414      -2.91031122               0
 C  -0.655229092       5.21454716      -3.07783747               0
 H  -0.535672188       5.25987625      -4.16244173               0
 C  -0.798554659       2.64779139      -4.57677364               0
 H  -0.646823645       3.55977869      -5.15835428               0
 C  -0.940133572       1.45394790      -5.26367331               0
 H  -0.902195930       1.44495332      -6.35834551               0
 H   -1.32602978     -0.992733598      -6.37312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.785067260     out: a-111-Gph-Rlx|gnp-2.40-0.97-1.00.out                        
 H   -1.27334642       2.71135473       9.55600739               0
 C   -1.20999336       2.72428155       8.46296501               0
 H   -1.10054851      0.580608308       8.34245491               0
 C   -1.09738111       1.51094294       7.76990414               0
 H  -0.469121218      -1.03475499       7.34856796               0
 C  -0.656865120      -1.00655150       6.27251244               0
 H  -0.476381063      -3.12517571       6.12586451               0
 C  -0.663306236      -2.20021892       5.57411528               0
 H   -1.06172729      -4.78513718       5.20823002               0
 C   -1.12605333      -4.73835850       4.11894274               0
 H   -1.36179566      -6.88003540       3.95726395               0
 C   -1.30153704      -5.93403339       3.40882134               0
 H   -1.31883335       4.87113428       8.32680511               0
 C   -1.24428082       3.92552733       7.78013468               0
 C   -1.18646193       3.94786239       6.36062193               0
 C   -1.00673699       1.47290969       6.37164545               0
 C   -1.07580066       2.70122933       5.64836311               0
 C  -0.880956650      0.224601090       5.63267756               0
 C  -0.977123260      0.231098890       4.21183014               0
 C  -0.905524731      -2.24320936       4.18986225               0
 C  -0.998413801      -1.00539553       3.48988390               0
 C   -1.06398344      -3.49828267       3.46671128               0
 C   -1.20613146      -3.46669316       2.04683399               0
 C   -1.41186523      -5.92333508       2.03100300               0
 C   -1.36974573      -4.69719601       1.31592655               0
 H   -1.54484367      -6.85695934       1.47574103               0
 H   -1.32717133       6.09474087       6.18639517               0
 C   -1.23297596       5.15209293       5.63662529               0
 C   -1.15422583       5.18013954       4.23573971               0
 C   -1.05094862       2.70542359       4.22489071               0
 C   -1.07476330       3.93397665       3.51492476               0
 C   -1.03406763       1.46979260       3.50160861               0
 C   -1.05683708       1.47648954       2.08433056               0
 C   -1.10653806     -0.991536736       2.06469727               0
 C   -1.10575867      0.240842640       1.36353898               0
 C   -1.19884539      -2.22712684       1.34560049               0
 C   -1.30541992      -2.21068311      -6.95990324E-02           0
 C   -1.49537468      -4.65562725      -8.37260485E-02           0
 C   -1.45839500      -3.44773126     -0.795360327               0
 H   -1.61514139      -5.59521008     -0.633996844               0
 H   -1.21212864       7.33790779       4.05375099               0
 C   -1.15258145       6.39160156       3.50490689               0
 C   -1.05793071       6.41615772       2.11591864               0
 C   -1.02623105       3.94321728       2.09475708               0
 C  -0.994656801       5.17542934       1.38868320               0
 C   -1.02177286       2.71090794       1.36994624               0
 C  -0.983382702       2.71688533      -4.99746799E-02           0
 C   -1.14251041      0.254736185      -6.26257658E-02           0
 C   -1.05129719       1.48322237     -0.770238400               0
 C   -1.25557470     -0.979201674     -0.776957273               0
 C   -1.29963875     -0.972231865      -2.19681430               0
 C   -1.56096745      -3.40470815      -2.20566988               0
 C   -1.46360254      -2.21008110      -2.91398978               0
 H   -1.69545603      -4.34340382      -2.75436115               0
 H   -1.08292961       8.58723164       1.93194032               0
 C   -1.02170968       7.64494133       1.37692666               0
 C  -0.906689644       7.64802170       1.66292191E-02           0
 C  -0.899937391       5.18260670      -2.94414759E-02           0
 C  -0.831307650       6.42701721     -0.726093054               0
 C  -0.888856888       3.95156026     -0.760091066               0
 C  -0.792357445       3.96488023      -2.18473792               0
 C   -1.02698040       1.48814726      -2.19770813               0
 C  -0.862741232       2.71090579      -2.91685224               0
 C   -1.16220140      0.251284003      -2.90688348               0
 C   -1.14627838      0.239455879      -4.33508968               0
 C   -1.49645090      -2.17289758      -4.34716558               0
 C   -1.32876587      -1.00065625      -5.02694893               0
 H   -1.64599228      -3.11489606      -4.88575411               0
 H  -0.875229120       8.59529018     -0.533024073               0
 C  -0.682822704       6.40655518      -2.12435651               0
 H  -0.597823858       7.35768414      -2.66031122               0
 C  -0.655229092       5.21454716      -2.82783747               0
 H  -0.535672188       5.25987625      -3.91244173               0
 C  -0.798554659       2.64779139      -4.32677364               0
 H  -0.646823645       3.55977869      -4.90835428               0
 C  -0.940133572       1.45394790      -5.01367331               0
 H  -0.902195930       1.44495332      -6.10834551               0
 H   -1.32602978     -0.992733598      -6.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.783560157     out: a-111-Gph-Rlx|gnp-2.40-1.22-0.25.out                        
 H   -1.27334642       2.96135473       8.80600739               0
 C   -1.20999336       2.97428155       7.71296453               0
 H   -1.10054851      0.830608308       7.59245539               0
 C   -1.09738111       1.76094294       7.01990414               0
 H  -0.469121218     -0.784754992       6.59856796               0
 C  -0.656865120     -0.756551504       5.52251244               0
 H  -0.476381063      -2.87517571       5.37586451               0
 C  -0.663306236      -1.95021892       4.82411528               0
 H   -1.06172729      -4.53513718       4.45823002               0
 C   -1.12605333      -4.48835850       3.36894274               0
 H   -1.36179566      -6.63003540       3.20726395               0
 C   -1.30153704      -5.68403339       2.65882134               0
 H   -1.31883335       5.12113428       7.57680559               0
 C   -1.24428082       4.17552757       7.03013468               0
 C   -1.18646193       4.19786263       5.61062193               0
 C   -1.00673699       1.72290969       5.62164545               0
 C   -1.07580066       2.95122933       4.89836311               0
 C  -0.880956650      0.474601090       4.88267756               0
 C  -0.977123260      0.481098890       3.46183014               0
 C  -0.905524731      -1.99320936       3.43986225               0
 C  -0.998413801     -0.755395532       2.73988390               0
 C   -1.06398344      -3.24828267       2.71671128               0
 C   -1.20613146      -3.21669316       1.29683387               0
 C   -1.41186523      -5.67333508       1.28100312               0
 C   -1.36974573      -4.44719601      0.565926552               0
 H   -1.54484367      -6.60695934      0.725741029               0
 H   -1.32717133       6.34474087       5.43639517               0
 C   -1.23297596       5.40209293       4.88662529               0
 C   -1.15422583       5.43013954       3.48573995               0
 C   -1.05094862       2.95542359       3.47489095               0
 C   -1.07476330       4.18397665       2.76492476               0
 C   -1.03406763       1.71979260       2.75160861               0
 C   -1.05683708       1.72648954       1.33433056               0
 C   -1.10653806     -0.741536736       1.31469715               0
 C   -1.10575867      0.490842640      0.613539040               0
 C   -1.19884539      -1.97712684      0.595600486               0
 C   -1.30541992      -1.96068311     -0.819599032               0
 C   -1.49537468      -4.40562725     -0.833726048               0
 C   -1.45839500      -3.19773126      -1.54536033               0
 H   -1.61514139      -5.34521008      -1.38399684               0
 H   -1.21212864       7.58790779       3.30375099               0
 C   -1.15258145       6.64160156       2.75490689               0
 C   -1.05793071       6.66615772       1.36591864               0
 C   -1.02623105       4.19321728       1.34475696               0
 C  -0.994656801       5.42542934      0.638683200               0
 C   -1.02177286       2.96090794      0.619946241               0
 C  -0.983382702       2.96688533     -0.799974680               0
 C   -1.14251041      0.504736185     -0.812625766               0
 C   -1.05129719       1.73322237      -1.52023840               0
 C   -1.25557470     -0.729201674      -1.52695727               0
 C   -1.29963875     -0.722231865      -2.94681430               0
 C   -1.56096745      -3.15470815      -2.95566988               0
 C   -1.46360254      -1.96008110      -3.66398978               0
 H   -1.69545603      -4.09340382      -3.50436115               0
 H   -1.08292961       8.83723164       1.18194032               0
 C   -1.02170968       7.89494133      0.626926661               0
 C  -0.906689644       7.89802170     -0.733370781               0
 C  -0.899937391       5.43260670     -0.779441476               0
 C  -0.831307650       6.67701721      -1.47609305               0
 C  -0.888856888       4.20156002      -1.51009107               0
 C  -0.792357445       4.21487999      -2.93473792               0
 C   -1.02698040       1.73814726      -2.94770813               0
 C  -0.862741232       2.96090579      -3.66685224               0
 C   -1.16220140      0.501284003      -3.65688348               0
 C   -1.14627838      0.489455879      -5.08508968               0
 C   -1.49645090      -1.92289758      -5.09716558               0
 C   -1.32876587     -0.750656247      -5.77694893               0
 H   -1.64599228      -2.86489606      -5.63575411               0
 H  -0.875229120       8.84529018      -1.28302407               0
 C  -0.682822704       6.65655518      -2.87435651               0
 H  -0.597823858       7.60768414      -3.41031122               0
 C  -0.655229092       5.46454716      -3.57783747               0
 H  -0.535672188       5.50987625      -4.66244173               0
 C  -0.798554659       2.89779139      -5.07677364               0
 H  -0.646823645       3.80977869      -5.65835428               0
 C  -0.940133572       1.70394790      -5.76367331               0
 H  -0.902195930       1.69495332      -6.85834551               0
 H   -1.32602978     -0.742733598      -6.87312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.287495613     out: a-111-Gph-Rlx|gnp-2.40-1.22-1.00.out                        
 H   -1.27334642       2.96135473       9.55600739               0
 C   -1.20999336       2.97428155       8.46296501               0
 H   -1.10054851      0.830608308       8.34245491               0
 C   -1.09738111       1.76094294       7.76990414               0
 H  -0.469121218     -0.784754992       7.34856796               0
 C  -0.656865120     -0.756551504       6.27251244               0
 H  -0.476381063      -2.87517571       6.12586451               0
 C  -0.663306236      -1.95021892       5.57411528               0
 H   -1.06172729      -4.53513718       5.20823002               0
 C   -1.12605333      -4.48835850       4.11894274               0
 H   -1.36179566      -6.63003540       3.95726395               0
 C   -1.30153704      -5.68403339       3.40882134               0
 H   -1.31883335       5.12113428       8.32680511               0
 C   -1.24428082       4.17552757       7.78013468               0
 C   -1.18646193       4.19786263       6.36062193               0
 C   -1.00673699       1.72290969       6.37164545               0
 C   -1.07580066       2.95122933       5.64836311               0
 C  -0.880956650      0.474601090       5.63267756               0
 C  -0.977123260      0.481098890       4.21183014               0
 C  -0.905524731      -1.99320936       4.18986225               0
 C  -0.998413801     -0.755395532       3.48988390               0
 C   -1.06398344      -3.24828267       3.46671128               0
 C   -1.20613146      -3.21669316       2.04683399               0
 C   -1.41186523      -5.67333508       2.03100300               0
 C   -1.36974573      -4.44719601       1.31592655               0
 H   -1.54484367      -6.60695934       1.47574103               0
 H   -1.32717133       6.34474087       6.18639517               0
 C   -1.23297596       5.40209293       5.63662529               0
 C   -1.15422583       5.43013954       4.23573971               0
 C   -1.05094862       2.95542359       4.22489071               0
 C   -1.07476330       4.18397665       3.51492476               0
 C   -1.03406763       1.71979260       3.50160861               0
 C   -1.05683708       1.72648954       2.08433056               0
 C   -1.10653806     -0.741536736       2.06469727               0
 C   -1.10575867      0.490842640       1.36353898               0
 C   -1.19884539      -1.97712684       1.34560049               0
 C   -1.30541992      -1.96068311      -6.95990324E-02           0
 C   -1.49537468      -4.40562725      -8.37260485E-02           0
 C   -1.45839500      -3.19773126     -0.795360327               0
 H   -1.61514139      -5.34521008     -0.633996844               0
 H   -1.21212864       7.58790779       4.05375099               0
 C   -1.15258145       6.64160156       3.50490689               0
 C   -1.05793071       6.66615772       2.11591864               0
 C   -1.02623105       4.19321728       2.09475708               0
 C  -0.994656801       5.42542934       1.38868320               0
 C   -1.02177286       2.96090794       1.36994624               0
 C  -0.983382702       2.96688533      -4.99746799E-02           0
 C   -1.14251041      0.504736185      -6.26257658E-02           0
 C   -1.05129719       1.73322237     -0.770238400               0
 C   -1.25557470     -0.729201674     -0.776957273               0
 C   -1.29963875     -0.722231865      -2.19681430               0
 C   -1.56096745      -3.15470815      -2.20566988               0
 C   -1.46360254      -1.96008110      -2.91398978               0
 H   -1.69545603      -4.09340382      -2.75436115               0
 H   -1.08292961       8.83723164       1.93194032               0
 C   -1.02170968       7.89494133       1.37692666               0
 C  -0.906689644       7.89802170       1.66292191E-02           0
 C  -0.899937391       5.43260670      -2.94414759E-02           0
 C  -0.831307650       6.67701721     -0.726093054               0
 C  -0.888856888       4.20156002     -0.760091066               0
 C  -0.792357445       4.21487999      -2.18473792               0
 C   -1.02698040       1.73814726      -2.19770813               0
 C  -0.862741232       2.96090579      -2.91685224               0
 C   -1.16220140      0.501284003      -2.90688348               0
 C   -1.14627838      0.489455879      -4.33508968               0
 C   -1.49645090      -1.92289758      -4.34716558               0
 C   -1.32876587     -0.750656247      -5.02694893               0
 H   -1.64599228      -2.86489606      -4.88575411               0
 H  -0.875229120       8.84529018     -0.533024073               0
 C  -0.682822704       6.65655518      -2.12435651               0
 H  -0.597823858       7.60768414      -2.66031122               0
 C  -0.655229092       5.46454716      -2.82783747               0
 H  -0.535672188       5.50987625      -3.91244173               0
 C  -0.798554659       2.89779139      -4.32677364               0
 H  -0.646823645       3.80977869      -4.90835428               0
 C  -0.940133572       1.70394790      -5.01367331               0
 H  -0.902195930       1.69495332      -6.10834551               0
 H   -1.32602978     -0.742733598      -6.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.685910583     out: a-111-Gph-Rlx|gnp-2.40-1.47-0.00.out                        
 H   -1.27334642       3.21135473       8.55600739               0
 C   -1.20999336       3.22428155       7.46296453               0
 H   -1.10054851       1.08060837       7.34245539               0
 C   -1.09738111       2.01094294       6.76990414               0
 H  -0.469121218     -0.534754992       6.34856796               0
 C  -0.656865120     -0.506551504       5.27251244               0
 H  -0.476381063      -2.62517571       5.12586451               0
 C  -0.663306236      -1.70021892       4.57411528               0
 H   -1.06172729      -4.28513718       4.20823002               0
 C   -1.12605333      -4.23835850       3.11894274               0
 H   -1.36179566      -6.38003540       2.95726395               0
 C   -1.30153704      -5.43403339       2.40882134               0
 H   -1.31883335       5.37113428       7.32680559               0
 C   -1.24428082       4.42552757       6.78013468               0
 C   -1.18646193       4.44786263       5.36062193               0
 C   -1.00673699       1.97290969       5.37164545               0
 C   -1.07580066       3.20122933       4.64836311               0
 C  -0.880956650      0.724601090       4.63267756               0
 C  -0.977123260      0.731098890       3.21183014               0
 C  -0.905524731      -1.74320936       3.18986225               0
 C  -0.998413801     -0.505395532       2.48988390               0
 C   -1.06398344      -2.99828267       2.46671128               0
 C   -1.20613146      -2.96669316       1.04683387               0
 C   -1.41186523      -5.42333508       1.03100312               0
 C   -1.36974573      -4.19719601      0.315926582               0
 H   -1.54484367      -6.35695934      0.475740999               0
 H   -1.32717133       6.59474087       5.18639517               0
 C   -1.23297596       5.65209293       4.63662529               0
 C   -1.15422583       5.68013954       3.23573995               0
 C   -1.05094862       3.20542359       3.22489095               0
 C   -1.07476330       4.43397665       2.51492476               0
 C   -1.03406763       1.96979260       2.50160861               0
 C   -1.05683708       1.97648954       1.08433056               0
 C   -1.10653806     -0.491536736       1.06469715               0
 C   -1.10575867      0.740842640      0.363539040               0
 C   -1.19884539      -1.72712684      0.345600486               0
 C   -1.30541992      -1.71068311      -1.06959903               0
 C   -1.49537468      -4.15562725      -1.08372605               0
 C   -1.45839500      -2.94773126      -1.79536033               0
 H   -1.61514139      -5.09521008      -1.63399684               0
 H   -1.21212864       7.83790779       3.05375099               0
 C   -1.15258145       6.89160156       2.50490689               0
 C   -1.05793071       6.91615772       1.11591864               0
 C   -1.02623105       4.44321728       1.09475696               0
 C  -0.994656801       5.67542934      0.388683170               0
 C   -1.02177286       3.21090794      0.369946212               0
 C  -0.983382702       3.21688533      -1.04997468               0
 C   -1.14251041      0.754736185      -1.06262577               0
 C   -1.05129719       1.98322237      -1.77023840               0
 C   -1.25557470     -0.479201674      -1.77695727               0
 C   -1.29963875     -0.472231865      -3.19681430               0
 C   -1.56096745      -2.90470815      -3.20566988               0
 C   -1.46360254      -1.71008110      -3.91398978               0
 H   -1.69545603      -3.84340405      -3.75436115               0
 H   -1.08292961       9.08723164      0.931940317               0
 C   -1.02170968       8.14494133      0.376926661               0
 C  -0.906689644       8.14802170     -0.983370781               0
 C  -0.899937391       5.68260670      -1.02944148               0
 C  -0.831307650       6.92701721      -1.72609305               0
 C  -0.888856888       4.45156002      -1.76009107               0
 C  -0.792357445       4.46487999      -3.18473792               0
 C   -1.02698040       1.98814726      -3.19770813               0
 C  -0.862741232       3.21090579      -3.91685224               0
 C   -1.16220140      0.751284003      -3.90688348               0
 C   -1.14627838      0.739455879      -5.33508968               0
 C   -1.49645090      -1.67289758      -5.34716558               0
 C   -1.32876587     -0.500656247      -6.02694893               0
 H   -1.64599228      -2.61489606      -5.88575411               0
 H  -0.875229120       9.09529018      -1.53302407               0
 C  -0.682822704       6.90655518      -3.12435651               0
 H  -0.597823858       7.85768414      -3.66031122               0
 C  -0.655229092       5.71454716      -3.82783747               0
 H  -0.535672188       5.75987625      -4.91244173               0
 C  -0.798554659       3.14779139      -5.32677364               0
 H  -0.646823645       4.05977869      -5.90835428               0
 C  -0.940133572       1.95394790      -6.01367331               0
 H  -0.902195930       1.94495332      -7.10834551               0
 H   -1.32602978     -0.492733598      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  0.125707403     out: a-111-Gph-Rlx|gnp-2.40-1.95-1.49.out                        
 H   -1.27334642       3.69135475       10.0460072               0
 C   -1.20999336       3.70428157       8.95296478               0
 H   -1.10054851       1.56060839       8.83245564               0
 C   -1.09738111       2.49094296       8.25990391               0
 H  -0.469121218      -5.47549725E-02   7.83856773               0
 C  -0.656865120      -2.65514851E-02   6.76251221               0
 H  -0.476381063      -2.14517570       6.61586475               0
 C  -0.663306236      -1.22021890       6.06411552               0
 H   -1.06172729      -3.80513740       5.69822979               0
 C   -1.12605333      -3.75835872       4.60894299               0
 H   -1.36179566      -5.90003586       4.44726372               0
 C   -1.30153704      -4.95403385       3.89882135               0
 H   -1.31883335       5.85113430       8.81680584               0
 C   -1.24428082       4.90552711       8.27013493               0
 C   -1.18646193       4.92786217       6.85062218               0
 C   -1.00673699       2.45290971       6.86164570               0
 C   -1.07580066       3.68122935       6.13836288               0
 C  -0.880956650       1.20460105       6.12267780               0
 C  -0.977123260       1.21109891       4.70182991               0
 C  -0.905524731      -1.26320934       4.67986202               0
 C  -0.998413801      -2.53955126E-02   3.97988391               0
 C   -1.06398344      -2.51828265       3.95671129               0
 C   -1.20613146      -2.48669314       2.53683376               0
 C   -1.41186523      -4.94333553       2.52100325               0
 C   -1.36974573      -3.71719623       1.80592656               0
 H   -1.54484367      -5.87695980       1.96574104               0
 H   -1.32717133       7.07474041       6.67639542               0
 C   -1.23297596       6.13209248       6.12662506               0
 C   -1.15422583       6.16013908       4.72573996               0
 C   -1.05094862       3.68542361       4.71489096               0
 C   -1.07476330       4.91397667       4.00492477               0
 C   -1.03406763       2.44979262       3.99160862               0
 C   -1.05683708       2.45648956       2.57433057               0
 C   -1.10653806      -1.15367174E-02   2.55469704               0
 C   -1.10575867       1.22084260       1.85353899               0
 C   -1.19884539      -1.24712682       1.83560050               0
 C   -1.30541992      -1.23068309      0.420400977               0
 C   -1.49537468      -3.67562747      0.406273961               0
 C   -1.45839500      -2.46773124     -0.305360317               0
 H   -1.61514139      -4.61521053     -0.143996835               0
 H   -1.21212864       8.31790733       4.54375076               0
 C   -1.15258145       7.37160110       3.99490690               0
 C   -1.05793071       7.39615726       2.60591865               0
 C   -1.02623105       4.92321730       2.58475685               0
 C  -0.994656801       6.15542889       1.87868321               0
 C   -1.02177286       3.69090796       1.85994625               0
 C  -0.983382702       3.69688535      0.440025330               0
 C   -1.14251041       1.23473620      0.427374244               0
 C   -1.05129719       2.46322250     -0.280238390               0
 C   -1.25557470       7.98344612E-04 -0.286957264               0
 C   -1.29963875       7.76815414E-03  -1.70681429               0
 C   -1.56096745      -2.42470813      -1.71566987               0
 C   -1.46360254      -1.23008108      -2.42398977               0
 H   -1.69545603      -3.36340404      -2.26436114               0
 H   -1.08292961       9.56723118       2.42194033               0
 C   -1.02170968       8.62494087       1.86692667               0
 C  -0.906689644       8.62802124      0.506629229               0
 C  -0.899937391       6.16260624      0.460558534               0
 C  -0.831307650       7.40701675     -0.236093044               0
 C  -0.888856888       4.93156052     -0.270091057               0
 C  -0.792357445       4.94488049      -1.69473791               0
 C   -1.02698040       2.46814728      -1.70770812               0
 C  -0.862741232       3.69090581      -2.42685223               0
 C   -1.16220140       1.23128402      -2.41688347               0
 C   -1.14627838       1.21945596      -3.84508967               0
 C   -1.49645090      -1.19289756      -3.85716558               0
 C   -1.32876587      -2.06562281E-02  -4.53694916               0
 H   -1.64599228      -2.13489604      -4.39575386               0
 H  -0.875229120       9.57528973      -4.30240631E-02           0
 C  -0.682822704       7.38655472      -1.63435650               0
 H  -0.597823858       8.33768368      -2.17031121               0
 C  -0.655229092       6.19454670      -2.33783746               0
 H  -0.535672188       6.23987579      -3.42244172               0
 C  -0.798554659       3.62779140      -3.83677363               0
 H  -0.646823645       4.53977871      -4.41835403               0
 C  -0.940133572       2.43394804      -4.52367306               0
 H  -0.902195930       2.42495346      -5.61834526               0
 H   -1.32602978      -1.27335787E-02  -5.63312721               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -2.15419626     out: a-111-Gph-Rlx|gnp-2.60-0.72-0.00.out                        
 H   -1.07334661       2.46135473       8.55600739               0
 C   -1.00999355       2.47428155       7.46296453               0
 H  -0.900548697      0.330608308       7.34245539               0
 C  -0.897381306       1.26094294       6.76990414               0
 H  -0.269121408      -1.28475499       6.34856796               0
 C  -0.456865311      -1.25655150       5.27251244               0
 H  -0.276381254      -3.37517571       5.12586451               0
 C  -0.463306427      -2.45021892       4.57411528               0
 H  -0.861727476      -5.03513718       4.20823002               0
 C  -0.926053524      -4.98835850       3.11894274               0
 H   -1.16179585      -7.13003540       2.95726395               0
 C   -1.10153723      -6.18403339       2.40882134               0
 H   -1.11883354       4.62113428       7.32680559               0
 C   -1.04428101       3.67552733       6.78013468               0
 C  -0.986462116       3.69786239       5.36062193               0
 C  -0.806737185       1.22290969       5.37164545               0
 C  -0.875800848       2.45122933       4.64836311               0
 C  -0.680956841      -2.53989100E-02   4.63267756               0
 C  -0.777123451      -1.89011097E-02   3.21183014               0
 C  -0.705524921      -2.49320936       3.18986225               0
 C  -0.798413992      -1.25539553       2.48988390               0
 C  -0.863983631      -3.74828267       2.46671128               0
 C   -1.00613165      -3.71669316       1.04683387               0
 C   -1.21186543      -6.17333508       1.03100312               0
 C   -1.16974592      -4.94719601      0.315926582               0
 H   -1.34484386      -7.10695934      0.475740999               0
 H   -1.12717152       5.84474087       5.18639517               0
 C   -1.03297615       4.90209293       4.63662529               0
 C  -0.954226017       4.93013954       3.23573995               0
 C  -0.850948811       2.45542359       3.22489095               0
 C  -0.874763489       3.68397665       2.51492476               0
 C  -0.834067822       1.21979260       2.50160861               0
 C  -0.856837273       1.22648954       1.08433056               0
 C  -0.906538248      -1.24153674       1.06469715               0
 C  -0.905758858      -9.15735960E-03  0.363539040               0
 C  -0.998845577      -2.47712684      0.345600486               0
 C   -1.10542011      -2.46068311      -1.06959903               0
 C   -1.29537487      -4.90562725      -1.08372605               0
 C   -1.25839520      -3.69773126      -1.79536033               0
 H   -1.41514158      -5.84521008      -1.63399684               0
 H   -1.01212883       7.08790779       3.05375099               0
 C  -0.952581644       6.14160156       2.50490689               0
 C  -0.857930899       6.16615772       1.11591864               0
 C  -0.826231241       3.69321728       1.09475696               0
 C  -0.794656992       4.92542934      0.388683170               0
 C  -0.821773052       2.46090794      0.369946212               0
 C  -0.783382893       2.46688533      -1.04997468               0
 C  -0.942510605       4.73618507E-03  -1.06262577               0
 C  -0.851297379       1.23322237      -1.77023840               0
 C   -1.05557489      -1.22920167      -1.77695727               0
 C   -1.09963894      -1.22223186      -3.19681430               0
 C   -1.36096764      -3.65470815      -3.20566988               0
 C   -1.26360273      -2.46008110      -3.91398978               0
 H   -1.49545622      -4.59340382      -3.75436115               0
 H  -0.882929802       8.33723164      0.931940317               0
 C  -0.821709871       7.39494133      0.376926661               0
 C  -0.706689835       7.39802170     -0.983370781               0
 C  -0.699937582       4.93260670      -1.02944148               0
 C  -0.631307840       6.17701721      -1.72609305               0
 C  -0.688857079       3.70156026      -1.76009107               0
 C  -0.592357635       3.71488023      -3.18473792               0
 C  -0.826980591       1.23814726      -3.19770813               0
 C  -0.662741423       2.46090579      -3.91685224               0
 C  -0.962201595       1.28400326E-03  -3.90688348               0
 C  -0.946278572      -1.05441213E-02  -5.33508968               0
 C   -1.29645109      -2.42289758      -5.34716558               0
 C   -1.12876606      -1.25065625      -6.02694893               0
 H   -1.44599247      -3.36489606      -5.88575411               0
 H  -0.675229311       8.34529018      -1.53302407               0
 C  -0.482822895       6.15655518      -3.12435651               0
 H  -0.397824049       7.10768414      -3.66031122               0
 C  -0.455229282       4.96454716      -3.82783747               0
 H  -0.335672379       5.00987625      -4.91244173               0
 C  -0.598554850       2.39779139      -5.32677364               0
 H  -0.446823835       3.30977869      -5.90835428               0
 C  -0.740133762       1.20394790      -6.01367331               0
 H  -0.702196121       1.19495332      -7.10834551               0
 H   -1.12602997      -1.24273360      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -2.07094383     out: a-111-Gph-Rlx|gnp-2.60-0.72-0.25.out                        
 H   -1.07334661       2.46135473       8.80600739               0
 C   -1.00999355       2.47428155       7.71296453               0
 H  -0.900548697      0.330608308       7.59245539               0
 C  -0.897381306       1.26094294       7.01990414               0
 H  -0.269121408      -1.28475499       6.59856796               0
 C  -0.456865311      -1.25655150       5.52251244               0
 H  -0.276381254      -3.37517571       5.37586451               0
 C  -0.463306427      -2.45021892       4.82411528               0
 H  -0.861727476      -5.03513718       4.45823002               0
 C  -0.926053524      -4.98835850       3.36894274               0
 H   -1.16179585      -7.13003540       3.20726395               0
 C   -1.10153723      -6.18403339       2.65882134               0
 H   -1.11883354       4.62113428       7.57680559               0
 C   -1.04428101       3.67552733       7.03013468               0
 C  -0.986462116       3.69786239       5.61062193               0
 C  -0.806737185       1.22290969       5.62164545               0
 C  -0.875800848       2.45122933       4.89836311               0
 C  -0.680956841      -2.53989100E-02   4.88267756               0
 C  -0.777123451      -1.89011097E-02   3.46183014               0
 C  -0.705524921      -2.49320936       3.43986225               0
 C  -0.798413992      -1.25539553       2.73988390               0
 C  -0.863983631      -3.74828267       2.71671128               0
 C   -1.00613165      -3.71669316       1.29683387               0
 C   -1.21186543      -6.17333508       1.28100312               0
 C   -1.16974592      -4.94719601      0.565926552               0
 H   -1.34484386      -7.10695934      0.725741029               0
 H   -1.12717152       5.84474087       5.43639517               0
 C   -1.03297615       4.90209293       4.88662529               0
 C  -0.954226017       4.93013954       3.48573995               0
 C  -0.850948811       2.45542359       3.47489095               0
 C  -0.874763489       3.68397665       2.76492476               0
 C  -0.834067822       1.21979260       2.75160861               0
 C  -0.856837273       1.22648954       1.33433056               0
 C  -0.906538248      -1.24153674       1.31469715               0
 C  -0.905758858      -9.15735960E-03  0.613539040               0
 C  -0.998845577      -2.47712684      0.595600486               0
 C   -1.10542011      -2.46068311     -0.819599032               0
 C   -1.29537487      -4.90562725     -0.833726048               0
 C   -1.25839520      -3.69773126      -1.54536033               0
 H   -1.41514158      -5.84521008      -1.38399684               0
 H   -1.01212883       7.08790779       3.30375099               0
 C  -0.952581644       6.14160156       2.75490689               0
 C  -0.857930899       6.16615772       1.36591864               0
 C  -0.826231241       3.69321728       1.34475696               0
 C  -0.794656992       4.92542934      0.638683200               0
 C  -0.821773052       2.46090794      0.619946241               0
 C  -0.783382893       2.46688533     -0.799974680               0
 C  -0.942510605       4.73618507E-03 -0.812625766               0
 C  -0.851297379       1.23322237      -1.52023840               0
 C   -1.05557489      -1.22920167      -1.52695727               0
 C   -1.09963894      -1.22223186      -2.94681430               0
 C   -1.36096764      -3.65470815      -2.95566988               0
 C   -1.26360273      -2.46008110      -3.66398978               0
 H   -1.49545622      -4.59340382      -3.50436115               0
 H  -0.882929802       8.33723164       1.18194032               0
 C  -0.821709871       7.39494133      0.626926661               0
 C  -0.706689835       7.39802170     -0.733370781               0
 C  -0.699937582       4.93260670     -0.779441476               0
 C  -0.631307840       6.17701721      -1.47609305               0
 C  -0.688857079       3.70156026      -1.51009107               0
 C  -0.592357635       3.71488023      -2.93473792               0
 C  -0.826980591       1.23814726      -2.94770813               0
 C  -0.662741423       2.46090579      -3.66685224               0
 C  -0.962201595       1.28400326E-03  -3.65688348               0
 C  -0.946278572      -1.05441213E-02  -5.08508968               0
 C   -1.29645109      -2.42289758      -5.09716558               0
 C   -1.12876606      -1.25065625      -5.77694893               0
 H   -1.44599247      -3.36489606      -5.63575411               0
 H  -0.675229311       8.34529018      -1.28302407               0
 C  -0.482822895       6.15655518      -2.87435651               0
 H  -0.397824049       7.10768414      -3.41031122               0
 C  -0.455229282       4.96454716      -3.57783747               0
 H  -0.335672379       5.00987625      -4.66244173               0
 C  -0.598554850       2.39779139      -5.07677364               0
 H  -0.446823835       3.30977869      -5.65835428               0
 C  -0.740133762       1.20394790      -5.76367331               0
 H  -0.702196121       1.19495332      -6.85834551               0
 H   -1.12602997      -1.24273360      -6.87312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.97596025     out: a-111-Gph-Rlx|gnp-2.60-0.72-0.50.out                        
 H   -1.07334661       2.46135473       9.05600739               0
 C   -1.00999355       2.47428155       7.96296453               0
 H  -0.900548697      0.330608308       7.84245539               0
 C  -0.897381306       1.26094294       7.26990414               0
 H  -0.269121408      -1.28475499       6.84856796               0
 C  -0.456865311      -1.25655150       5.77251244               0
 H  -0.276381254      -3.37517571       5.62586451               0
 C  -0.463306427      -2.45021892       5.07411528               0
 H  -0.861727476      -5.03513718       4.70823002               0
 C  -0.926053524      -4.98835850       3.61894274               0
 H   -1.16179585      -7.13003540       3.45726395               0
 C   -1.10153723      -6.18403339       2.90882134               0
 H   -1.11883354       4.62113428       7.82680559               0
 C   -1.04428101       3.67552733       7.28013468               0
 C  -0.986462116       3.69786239       5.86062193               0
 C  -0.806737185       1.22290969       5.87164545               0
 C  -0.875800848       2.45122933       5.14836311               0
 C  -0.680956841      -2.53989100E-02   5.13267756               0
 C  -0.777123451      -1.89011097E-02   3.71183014               0
 C  -0.705524921      -2.49320936       3.68986225               0
 C  -0.798413992      -1.25539553       2.98988390               0
 C  -0.863983631      -3.74828267       2.96671128               0
 C   -1.00613165      -3.71669316       1.54683387               0
 C   -1.21186543      -6.17333508       1.53100312               0
 C   -1.16974592      -4.94719601      0.815926552               0
 H   -1.34484386      -7.10695934      0.975741029               0
 H   -1.12717152       5.84474087       5.68639517               0
 C   -1.03297615       4.90209293       5.13662529               0
 C  -0.954226017       4.93013954       3.73573995               0
 C  -0.850948811       2.45542359       3.72489095               0
 C  -0.874763489       3.68397665       3.01492476               0
 C  -0.834067822       1.21979260       3.00160861               0
 C  -0.856837273       1.22648954       1.58433056               0
 C  -0.906538248      -1.24153674       1.56469715               0
 C  -0.905758858      -9.15735960E-03  0.863539040               0
 C  -0.998845577      -2.47712684      0.845600486               0
 C   -1.10542011      -2.46068311     -0.569599032               0
 C   -1.29537487      -4.90562725     -0.583726048               0
 C   -1.25839520      -3.69773126      -1.29536033               0
 H   -1.41514158      -5.84521008      -1.13399684               0
 H   -1.01212883       7.08790779       3.55375099               0
 C  -0.952581644       6.14160156       3.00490689               0
 C  -0.857930899       6.16615772       1.61591864               0
 C  -0.826231241       3.69321728       1.59475696               0
 C  -0.794656992       4.92542934      0.888683200               0
 C  -0.821773052       2.46090794      0.869946241               0
 C  -0.783382893       2.46688533     -0.549974680               0
 C  -0.942510605       4.73618507E-03 -0.562625766               0
 C  -0.851297379       1.23322237      -1.27023840               0
 C   -1.05557489      -1.22920167      -1.27695727               0
 C   -1.09963894      -1.22223186      -2.69681430               0
 C   -1.36096764      -3.65470815      -2.70566988               0
 C   -1.26360273      -2.46008110      -3.41398978               0
 H   -1.49545622      -4.59340382      -3.25436115               0
 H  -0.882929802       8.33723164       1.43194032               0
 C  -0.821709871       7.39494133      0.876926661               0
 C  -0.706689835       7.39802170     -0.483370781               0
 C  -0.699937582       4.93260670     -0.529441476               0
 C  -0.631307840       6.17701721      -1.22609305               0
 C  -0.688857079       3.70156026      -1.26009107               0
 C  -0.592357635       3.71488023      -2.68473792               0
 C  -0.826980591       1.23814726      -2.69770813               0
 C  -0.662741423       2.46090579      -3.41685224               0
 C  -0.962201595       1.28400326E-03  -3.40688348               0
 C  -0.946278572      -1.05441213E-02  -4.83508968               0
 C   -1.29645109      -2.42289758      -4.84716558               0
 C   -1.12876606      -1.25065625      -5.52694893               0
 H   -1.44599247      -3.36489606      -5.38575411               0
 H  -0.675229311       8.34529018      -1.03302407               0
 C  -0.482822895       6.15655518      -2.62435651               0
 H  -0.397824049       7.10768414      -3.16031122               0
 C  -0.455229282       4.96454716      -3.32783747               0
 H  -0.335672379       5.00987625      -4.41244173               0
 C  -0.598554850       2.39779139      -4.82677364               0
 H  -0.446823835       3.30977869      -5.40835428               0
 C  -0.740133762       1.20394790      -5.51367331               0
 H  -0.702196121       1.19495332      -6.60834551               0
 H   -1.12602997      -1.24273360      -6.62312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.91703725     out: a-111-Gph-Rlx|gnp-2.60-0.72-0.75.out                        
 H   -1.07334661       2.46135473       9.30600739               0
 C   -1.00999355       2.47428155       8.21296501               0
 H  -0.900548697      0.330608308       8.09245491               0
 C  -0.897381306       1.26094294       7.51990414               0
 H  -0.269121408      -1.28475499       7.09856796               0
 C  -0.456865311      -1.25655150       6.02251244               0
 H  -0.276381254      -3.37517571       5.87586451               0
 C  -0.463306427      -2.45021892       5.32411528               0
 H  -0.861727476      -5.03513718       4.95823002               0
 C  -0.926053524      -4.98835850       3.86894274               0
 H   -1.16179585      -7.13003540       3.70726395               0
 C   -1.10153723      -6.18403339       3.15882134               0
 H   -1.11883354       4.62113428       8.07680511               0
 C   -1.04428101       3.67552733       7.53013468               0
 C  -0.986462116       3.69786239       6.11062193               0
 C  -0.806737185       1.22290969       6.12164545               0
 C  -0.875800848       2.45122933       5.39836311               0
 C  -0.680956841      -2.53989100E-02   5.38267756               0
 C  -0.777123451      -1.89011097E-02   3.96183014               0
 C  -0.705524921      -2.49320936       3.93986225               0
 C  -0.798413992      -1.25539553       3.23988390               0
 C  -0.863983631      -3.74828267       3.21671128               0
 C   -1.00613165      -3.71669316       1.79683387               0
 C   -1.21186543      -6.17333508       1.78100312               0
 C   -1.16974592      -4.94719601       1.06592655               0
 H   -1.34484386      -7.10695934       1.22574103               0
 H   -1.12717152       5.84474087       5.93639517               0
 C   -1.03297615       4.90209293       5.38662529               0
 C  -0.954226017       4.93013954       3.98573995               0
 C  -0.850948811       2.45542359       3.97489095               0
 C  -0.874763489       3.68397665       3.26492476               0
 C  -0.834067822       1.21979260       3.25160861               0
 C  -0.856837273       1.22648954       1.83433056               0
 C  -0.906538248      -1.24153674       1.81469715               0
 C  -0.905758858      -9.15735960E-03   1.11353898               0
 C  -0.998845577      -2.47712684       1.09560049               0
 C   -1.10542011      -2.46068311     -0.319599032               0
 C   -1.29537487      -4.90562725     -0.333726048               0
 C   -1.25839520      -3.69773126      -1.04536033               0
 H   -1.41514158      -5.84521008     -0.883996844               0
 H   -1.01212883       7.08790779       3.80375099               0
 C  -0.952581644       6.14160156       3.25490689               0
 C  -0.857930899       6.16615772       1.86591864               0
 C  -0.826231241       3.69321728       1.84475696               0
 C  -0.794656992       4.92542934       1.13868320               0
 C  -0.821773052       2.46090794       1.11994624               0
 C  -0.783382893       2.46688533     -0.299974680               0
 C  -0.942510605       4.73618507E-03 -0.312625766               0
 C  -0.851297379       1.23322237      -1.02023840               0
 C   -1.05557489      -1.22920167      -1.02695727               0
 C   -1.09963894      -1.22223186      -2.44681430               0
 C   -1.36096764      -3.65470815      -2.45566988               0
 C   -1.26360273      -2.46008110      -3.16398978               0
 H   -1.49545622      -4.59340382      -3.00436115               0
 H  -0.882929802       8.33723164       1.68194032               0
 C  -0.821709871       7.39494133       1.12692666               0
 C  -0.706689835       7.39802170     -0.233370781               0
 C  -0.699937582       4.93260670     -0.279441476               0
 C  -0.631307840       6.17701721     -0.976093054               0
 C  -0.688857079       3.70156026      -1.01009107               0
 C  -0.592357635       3.71488023      -2.43473792               0
 C  -0.826980591       1.23814726      -2.44770813               0
 C  -0.662741423       2.46090579      -3.16685224               0
 C  -0.962201595       1.28400326E-03  -3.15688348               0
 C  -0.946278572      -1.05441213E-02  -4.58508968               0
 C   -1.29645109      -2.42289758      -4.59716558               0
 C   -1.12876606      -1.25065625      -5.27694893               0
 H   -1.44599247      -3.36489606      -5.13575411               0
 H  -0.675229311       8.34529018     -0.783024073               0
 C  -0.482822895       6.15655518      -2.37435651               0
 H  -0.397824049       7.10768414      -2.91031122               0
 C  -0.455229282       4.96454716      -3.07783747               0
 H  -0.335672379       5.00987625      -4.16244173               0
 C  -0.598554850       2.39779139      -4.57677364               0
 H  -0.446823835       3.30977869      -5.15835428               0
 C  -0.740133762       1.20394790      -5.26367331               0
 H  -0.702196121       1.19495332      -6.35834551               0
 H   -1.12602997      -1.24273360      -6.37312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -2.08961463     out: a-111-Gph-Rlx|gnp-2.60-0.97-0.00.out                        
 H   -1.07334661       2.71135473       8.55600739               0
 C   -1.00999355       2.72428155       7.46296453               0
 H  -0.900548697      0.580608308       7.34245539               0
 C  -0.897381306       1.51094294       6.76990414               0
 H  -0.269121408      -1.03475499       6.34856796               0
 C  -0.456865311      -1.00655150       5.27251244               0
 H  -0.276381254      -3.12517571       5.12586451               0
 C  -0.463306427      -2.20021892       4.57411528               0
 H  -0.861727476      -4.78513718       4.20823002               0
 C  -0.926053524      -4.73835850       3.11894274               0
 H   -1.16179585      -6.88003540       2.95726395               0
 C   -1.10153723      -5.93403339       2.40882134               0
 H   -1.11883354       4.87113428       7.32680559               0
 C   -1.04428101       3.92552733       6.78013468               0
 C  -0.986462116       3.94786239       5.36062193               0
 C  -0.806737185       1.47290969       5.37164545               0
 C  -0.875800848       2.70122933       4.64836311               0
 C  -0.680956841      0.224601090       4.63267756               0
 C  -0.777123451      0.231098890       3.21183014               0
 C  -0.705524921      -2.24320936       3.18986225               0
 C  -0.798413992      -1.00539553       2.48988390               0
 C  -0.863983631      -3.49828267       2.46671128               0
 C   -1.00613165      -3.46669316       1.04683387               0
 C   -1.21186543      -5.92333508       1.03100312               0
 C   -1.16974592      -4.69719601      0.315926582               0
 H   -1.34484386      -6.85695934      0.475740999               0
 H   -1.12717152       6.09474087       5.18639517               0
 C   -1.03297615       5.15209293       4.63662529               0
 C  -0.954226017       5.18013954       3.23573995               0
 C  -0.850948811       2.70542359       3.22489095               0
 C  -0.874763489       3.93397665       2.51492476               0
 C  -0.834067822       1.46979260       2.50160861               0
 C  -0.856837273       1.47648954       1.08433056               0
 C  -0.906538248     -0.991536736       1.06469715               0
 C  -0.905758858      0.240842640      0.363539040               0
 C  -0.998845577      -2.22712684      0.345600486               0
 C   -1.10542011      -2.21068311      -1.06959903               0
 C   -1.29537487      -4.65562725      -1.08372605               0
 C   -1.25839520      -3.44773126      -1.79536033               0
 H   -1.41514158      -5.59521008      -1.63399684               0
 H   -1.01212883       7.33790779       3.05375099               0
 C  -0.952581644       6.39160156       2.50490689               0
 C  -0.857930899       6.41615772       1.11591864               0
 C  -0.826231241       3.94321728       1.09475696               0
 C  -0.794656992       5.17542934      0.388683170               0
 C  -0.821773052       2.71090794      0.369946212               0
 C  -0.783382893       2.71688533      -1.04997468               0
 C  -0.942510605      0.254736185      -1.06262577               0
 C  -0.851297379       1.48322237      -1.77023840               0
 C   -1.05557489     -0.979201674      -1.77695727               0
 C   -1.09963894     -0.972231865      -3.19681430               0
 C   -1.36096764      -3.40470815      -3.20566988               0
 C   -1.26360273      -2.21008110      -3.91398978               0
 H   -1.49545622      -4.34340382      -3.75436115               0
 H  -0.882929802       8.58723164      0.931940317               0
 C  -0.821709871       7.64494133      0.376926661               0
 C  -0.706689835       7.64802170     -0.983370781               0
 C  -0.699937582       5.18260670      -1.02944148               0
 C  -0.631307840       6.42701721      -1.72609305               0
 C  -0.688857079       3.95156026      -1.76009107               0
 C  -0.592357635       3.96488023      -3.18473792               0
 C  -0.826980591       1.48814726      -3.19770813               0
 C  -0.662741423       2.71090579      -3.91685224               0
 C  -0.962201595      0.251284003      -3.90688348               0
 C  -0.946278572      0.239455879      -5.33508968               0
 C   -1.29645109      -2.17289758      -5.34716558               0
 C   -1.12876606      -1.00065625      -6.02694893               0
 H   -1.44599247      -3.11489606      -5.88575411               0
 H  -0.675229311       8.59529018      -1.53302407               0
 C  -0.482822895       6.40655518      -3.12435651               0
 H  -0.397824049       7.35768414      -3.66031122               0
 C  -0.455229282       5.21454716      -3.82783747               0
 H  -0.335672379       5.25987625      -4.91244173               0
 C  -0.598554850       2.64779139      -5.32677364               0
 H  -0.446823835       3.55977869      -5.90835428               0
 C  -0.740133762       1.45394790      -6.01367331               0
 H  -0.702196121       1.44495332      -7.10834551               0
 H   -1.12602997     -0.992733598      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.82882071     out: a-111-Gph-Rlx|gnp-2.60-0.97-0.50.out                        
 H   -1.07334661       2.71135473       9.05600739               0
 C   -1.00999355       2.72428155       7.96296453               0
 H  -0.900548697      0.580608308       7.84245539               0
 C  -0.897381306       1.51094294       7.26990414               0
 H  -0.269121408      -1.03475499       6.84856796               0
 C  -0.456865311      -1.00655150       5.77251244               0
 H  -0.276381254      -3.12517571       5.62586451               0
 C  -0.463306427      -2.20021892       5.07411528               0
 H  -0.861727476      -4.78513718       4.70823002               0
 C  -0.926053524      -4.73835850       3.61894274               0
 H   -1.16179585      -6.88003540       3.45726395               0
 C   -1.10153723      -5.93403339       2.90882134               0
 H   -1.11883354       4.87113428       7.82680559               0
 C   -1.04428101       3.92552733       7.28013468               0
 C  -0.986462116       3.94786239       5.86062193               0
 C  -0.806737185       1.47290969       5.87164545               0
 C  -0.875800848       2.70122933       5.14836311               0
 C  -0.680956841      0.224601090       5.13267756               0
 C  -0.777123451      0.231098890       3.71183014               0
 C  -0.705524921      -2.24320936       3.68986225               0
 C  -0.798413992      -1.00539553       2.98988390               0
 C  -0.863983631      -3.49828267       2.96671128               0
 C   -1.00613165      -3.46669316       1.54683387               0
 C   -1.21186543      -5.92333508       1.53100312               0
 C   -1.16974592      -4.69719601      0.815926552               0
 H   -1.34484386      -6.85695934      0.975741029               0
 H   -1.12717152       6.09474087       5.68639517               0
 C   -1.03297615       5.15209293       5.13662529               0
 C  -0.954226017       5.18013954       3.73573995               0
 C  -0.850948811       2.70542359       3.72489095               0
 C  -0.874763489       3.93397665       3.01492476               0
 C  -0.834067822       1.46979260       3.00160861               0
 C  -0.856837273       1.47648954       1.58433056               0
 C  -0.906538248     -0.991536736       1.56469715               0
 C  -0.905758858      0.240842640      0.863539040               0
 C  -0.998845577      -2.22712684      0.845600486               0
 C   -1.10542011      -2.21068311     -0.569599032               0
 C   -1.29537487      -4.65562725     -0.583726048               0
 C   -1.25839520      -3.44773126      -1.29536033               0
 H   -1.41514158      -5.59521008      -1.13399684               0
 H   -1.01212883       7.33790779       3.55375099               0
 C  -0.952581644       6.39160156       3.00490689               0
 C  -0.857930899       6.41615772       1.61591864               0
 C  -0.826231241       3.94321728       1.59475696               0
 C  -0.794656992       5.17542934      0.888683200               0
 C  -0.821773052       2.71090794      0.869946241               0
 C  -0.783382893       2.71688533     -0.549974680               0
 C  -0.942510605      0.254736185     -0.562625766               0
 C  -0.851297379       1.48322237      -1.27023840               0
 C   -1.05557489     -0.979201674      -1.27695727               0
 C   -1.09963894     -0.972231865      -2.69681430               0
 C   -1.36096764      -3.40470815      -2.70566988               0
 C   -1.26360273      -2.21008110      -3.41398978               0
 H   -1.49545622      -4.34340382      -3.25436115               0
 H  -0.882929802       8.58723164       1.43194032               0
 C  -0.821709871       7.64494133      0.876926661               0
 C  -0.706689835       7.64802170     -0.483370781               0
 C  -0.699937582       5.18260670     -0.529441476               0
 C  -0.631307840       6.42701721      -1.22609305               0
 C  -0.688857079       3.95156026      -1.26009107               0
 C  -0.592357635       3.96488023      -2.68473792               0
 C  -0.826980591       1.48814726      -2.69770813               0
 C  -0.662741423       2.71090579      -3.41685224               0
 C  -0.962201595      0.251284003      -3.40688348               0
 C  -0.946278572      0.239455879      -4.83508968               0
 C   -1.29645109      -2.17289758      -4.84716558               0
 C   -1.12876606      -1.00065625      -5.52694893               0
 H   -1.44599247      -3.11489606      -5.38575411               0
 H  -0.675229311       8.59529018      -1.03302407               0
 C  -0.482822895       6.40655518      -2.62435651               0
 H  -0.397824049       7.35768414      -3.16031122               0
 C  -0.455229282       5.21454716      -3.32783747               0
 H  -0.335672379       5.25987625      -4.41244173               0
 C  -0.598554850       2.64779139      -4.82677364               0
 H  -0.446823835       3.55977869      -5.40835428               0
 C  -0.740133762       1.45394790      -5.51367331               0
 H  -0.702196121       1.44495332      -6.60834551               0
 H   -1.12602997     -0.992733598      -6.62312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.74198401     out: a-111-Gph-Rlx|gnp-2.60-0.97-0.75.out                        
 H   -1.07334661       2.71135473       9.30600739               0
 C   -1.00999355       2.72428155       8.21296501               0
 H  -0.900548697      0.580608308       8.09245491               0
 C  -0.897381306       1.51094294       7.51990414               0
 H  -0.269121408      -1.03475499       7.09856796               0
 C  -0.456865311      -1.00655150       6.02251244               0
 H  -0.276381254      -3.12517571       5.87586451               0
 C  -0.463306427      -2.20021892       5.32411528               0
 H  -0.861727476      -4.78513718       4.95823002               0
 C  -0.926053524      -4.73835850       3.86894274               0
 H   -1.16179585      -6.88003540       3.70726395               0
 C   -1.10153723      -5.93403339       3.15882134               0
 H   -1.11883354       4.87113428       8.07680511               0
 C   -1.04428101       3.92552733       7.53013468               0
 C  -0.986462116       3.94786239       6.11062193               0
 C  -0.806737185       1.47290969       6.12164545               0
 C  -0.875800848       2.70122933       5.39836311               0
 C  -0.680956841      0.224601090       5.38267756               0
 C  -0.777123451      0.231098890       3.96183014               0
 C  -0.705524921      -2.24320936       3.93986225               0
 C  -0.798413992      -1.00539553       3.23988390               0
 C  -0.863983631      -3.49828267       3.21671128               0
 C   -1.00613165      -3.46669316       1.79683387               0
 C   -1.21186543      -5.92333508       1.78100312               0
 C   -1.16974592      -4.69719601       1.06592655               0
 H   -1.34484386      -6.85695934       1.22574103               0
 H   -1.12717152       6.09474087       5.93639517               0
 C   -1.03297615       5.15209293       5.38662529               0
 C  -0.954226017       5.18013954       3.98573995               0
 C  -0.850948811       2.70542359       3.97489095               0
 C  -0.874763489       3.93397665       3.26492476               0
 C  -0.834067822       1.46979260       3.25160861               0
 C  -0.856837273       1.47648954       1.83433056               0
 C  -0.906538248     -0.991536736       1.81469715               0
 C  -0.905758858      0.240842640       1.11353898               0
 C  -0.998845577      -2.22712684       1.09560049               0
 C   -1.10542011      -2.21068311     -0.319599032               0
 C   -1.29537487      -4.65562725     -0.333726048               0
 C   -1.25839520      -3.44773126      -1.04536033               0
 H   -1.41514158      -5.59521008     -0.883996844               0
 H   -1.01212883       7.33790779       3.80375099               0
 C  -0.952581644       6.39160156       3.25490689               0
 C  -0.857930899       6.41615772       1.86591864               0
 C  -0.826231241       3.94321728       1.84475696               0
 C  -0.794656992       5.17542934       1.13868320               0
 C  -0.821773052       2.71090794       1.11994624               0
 C  -0.783382893       2.71688533     -0.299974680               0
 C  -0.942510605      0.254736185     -0.312625766               0
 C  -0.851297379       1.48322237      -1.02023840               0
 C   -1.05557489     -0.979201674      -1.02695727               0
 C   -1.09963894     -0.972231865      -2.44681430               0
 C   -1.36096764      -3.40470815      -2.45566988               0
 C   -1.26360273      -2.21008110      -3.16398978               0
 H   -1.49545622      -4.34340382      -3.00436115               0
 H  -0.882929802       8.58723164       1.68194032               0
 C  -0.821709871       7.64494133       1.12692666               0
 C  -0.706689835       7.64802170     -0.233370781               0
 C  -0.699937582       5.18260670     -0.279441476               0
 C  -0.631307840       6.42701721     -0.976093054               0
 C  -0.688857079       3.95156026      -1.01009107               0
 C  -0.592357635       3.96488023      -2.43473792               0
 C  -0.826980591       1.48814726      -2.44770813               0
 C  -0.662741423       2.71090579      -3.16685224               0
 C  -0.962201595      0.251284003      -3.15688348               0
 C  -0.946278572      0.239455879      -4.58508968               0
 C   -1.29645109      -2.17289758      -4.59716558               0
 C   -1.12876606      -1.00065625      -5.27694893               0
 H   -1.44599247      -3.11489606      -5.13575411               0
 H  -0.675229311       8.59529018     -0.783024073               0
 C  -0.482822895       6.40655518      -2.37435651               0
 H  -0.397824049       7.35768414      -2.91031122               0
 C  -0.455229282       5.21454716      -3.07783747               0
 H  -0.335672379       5.25987625      -4.16244173               0
 C  -0.598554850       2.64779139      -4.57677364               0
 H  -0.446823835       3.55977869      -5.15835428               0
 C  -0.740133762       1.45394790      -5.26367331               0
 H  -0.702196121       1.44495332      -6.35834551               0
 H   -1.12602997     -0.992733598      -6.37312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.90560985     out: a-111-Gph-Rlx|gnp-2.60-1.22-0.00.out                        
 H   -1.07334661       2.96135473       8.55600739               0
 C   -1.00999355       2.97428155       7.46296453               0
 H  -0.900548697      0.830608308       7.34245539               0
 C  -0.897381306       1.76094294       6.76990414               0
 H  -0.269121408     -0.784754992       6.34856796               0
 C  -0.456865311     -0.756551504       5.27251244               0
 H  -0.276381254      -2.87517571       5.12586451               0
 C  -0.463306427      -1.95021892       4.57411528               0
 H  -0.861727476      -4.53513718       4.20823002               0
 C  -0.926053524      -4.48835850       3.11894274               0
 H   -1.16179585      -6.63003540       2.95726395               0
 C   -1.10153723      -5.68403339       2.40882134               0
 H   -1.11883354       5.12113428       7.32680559               0
 C   -1.04428101       4.17552757       6.78013468               0
 C  -0.986462116       4.19786263       5.36062193               0
 C  -0.806737185       1.72290969       5.37164545               0
 C  -0.875800848       2.95122933       4.64836311               0
 C  -0.680956841      0.474601090       4.63267756               0
 C  -0.777123451      0.481098890       3.21183014               0
 C  -0.705524921      -1.99320936       3.18986225               0
 C  -0.798413992     -0.755395532       2.48988390               0
 C  -0.863983631      -3.24828267       2.46671128               0
 C   -1.00613165      -3.21669316       1.04683387               0
 C   -1.21186543      -5.67333508       1.03100312               0
 C   -1.16974592      -4.44719601      0.315926582               0
 H   -1.34484386      -6.60695934      0.475740999               0
 H   -1.12717152       6.34474087       5.18639517               0
 C   -1.03297615       5.40209293       4.63662529               0
 C  -0.954226017       5.43013954       3.23573995               0
 C  -0.850948811       2.95542359       3.22489095               0
 C  -0.874763489       4.18397665       2.51492476               0
 C  -0.834067822       1.71979260       2.50160861               0
 C  -0.856837273       1.72648954       1.08433056               0
 C  -0.906538248     -0.741536736       1.06469715               0
 C  -0.905758858      0.490842640      0.363539040               0
 C  -0.998845577      -1.97712684      0.345600486               0
 C   -1.10542011      -1.96068311      -1.06959903               0
 C   -1.29537487      -4.40562725      -1.08372605               0
 C   -1.25839520      -3.19773126      -1.79536033               0
 H   -1.41514158      -5.34521008      -1.63399684               0
 H   -1.01212883       7.58790779       3.05375099               0
 C  -0.952581644       6.64160156       2.50490689               0
 C  -0.857930899       6.66615772       1.11591864               0
 C  -0.826231241       4.19321728       1.09475696               0
 C  -0.794656992       5.42542934      0.388683170               0
 C  -0.821773052       2.96090794      0.369946212               0
 C  -0.783382893       2.96688533      -1.04997468               0
 C  -0.942510605      0.504736185      -1.06262577               0
 C  -0.851297379       1.73322237      -1.77023840               0
 C   -1.05557489     -0.729201674      -1.77695727               0
 C   -1.09963894     -0.722231865      -3.19681430               0
 C   -1.36096764      -3.15470815      -3.20566988               0
 C   -1.26360273      -1.96008110      -3.91398978               0
 H   -1.49545622      -4.09340382      -3.75436115               0
 H  -0.882929802       8.83723164      0.931940317               0
 C  -0.821709871       7.89494133      0.376926661               0
 C  -0.706689835       7.89802170     -0.983370781               0
 C  -0.699937582       5.43260670      -1.02944148               0
 C  -0.631307840       6.67701721      -1.72609305               0
 C  -0.688857079       4.20156002      -1.76009107               0
 C  -0.592357635       4.21487999      -3.18473792               0
 C  -0.826980591       1.73814726      -3.19770813               0
 C  -0.662741423       2.96090579      -3.91685224               0
 C  -0.962201595      0.501284003      -3.90688348               0
 C  -0.946278572      0.489455879      -5.33508968               0
 C   -1.29645109      -1.92289758      -5.34716558               0
 C   -1.12876606     -0.750656247      -6.02694893               0
 H   -1.44599247      -2.86489606      -5.88575411               0
 H  -0.675229311       8.84529018      -1.53302407               0
 C  -0.482822895       6.65655518      -3.12435651               0
 H  -0.397824049       7.60768414      -3.66031122               0
 C  -0.455229282       5.46454716      -3.82783747               0
 H  -0.335672379       5.50987625      -4.91244173               0
 C  -0.598554850       2.89779139      -5.32677364               0
 H  -0.446823835       3.80977869      -5.90835428               0
 C  -0.740133762       1.70394790      -6.01367331               0
 H  -0.702196121       1.69495332      -7.10834551               0
 H   -1.12602997     -0.742733598      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.02291381     out: a-111-Gph-Rlx|gnp-2.60-1.95-1.49.out                        
 H   -1.07334661       3.69135475       10.0460072               0
 C   -1.00999355       3.70428157       8.95296478               0
 H  -0.900548697       1.56060839       8.83245564               0
 C  -0.897381306       2.49094296       8.25990391               0
 H  -0.269121408      -5.47549725E-02   7.83856773               0
 C  -0.456865311      -2.65514851E-02   6.76251221               0
 H  -0.276381254      -2.14517570       6.61586475               0
 C  -0.463306427      -1.22021890       6.06411552               0
 H  -0.861727476      -3.80513740       5.69822979               0
 C  -0.926053524      -3.75835872       4.60894299               0
 H   -1.16179585      -5.90003586       4.44726372               0
 C   -1.10153723      -4.95403385       3.89882135               0
 H   -1.11883354       5.85113430       8.81680584               0
 C   -1.04428101       4.90552711       8.27013493               0
 C  -0.986462116       4.92786217       6.85062218               0
 C  -0.806737185       2.45290971       6.86164570               0
 C  -0.875800848       3.68122935       6.13836288               0
 C  -0.680956841       1.20460105       6.12267780               0
 C  -0.777123451       1.21109891       4.70182991               0
 C  -0.705524921      -1.26320934       4.67986202               0
 C  -0.798413992      -2.53955126E-02   3.97988391               0
 C  -0.863983631      -2.51828265       3.95671129               0
 C   -1.00613165      -2.48669314       2.53683376               0
 C   -1.21186543      -4.94333553       2.52100325               0
 C   -1.16974592      -3.71719623       1.80592656               0
 H   -1.34484386      -5.87695980       1.96574104               0
 H   -1.12717152       7.07474041       6.67639542               0
 C   -1.03297615       6.13209248       6.12662506               0
 C  -0.954226017       6.16013908       4.72573996               0
 C  -0.850948811       3.68542361       4.71489096               0
 C  -0.874763489       4.91397667       4.00492477               0
 C  -0.834067822       2.44979262       3.99160862               0
 C  -0.856837273       2.45648956       2.57433057               0
 C  -0.906538248      -1.15367174E-02   2.55469704               0
 C  -0.905758858       1.22084260       1.85353899               0
 C  -0.998845577      -1.24712682       1.83560050               0
 C   -1.10542011      -1.23068309      0.420400977               0
 C   -1.29537487      -3.67562747      0.406273961               0
 C   -1.25839520      -2.46773124     -0.305360317               0
 H   -1.41514158      -4.61521053     -0.143996835               0
 H   -1.01212883       8.31790733       4.54375076               0
 C  -0.952581644       7.37160110       3.99490690               0
 C  -0.857930899       7.39615726       2.60591865               0
 C  -0.826231241       4.92321730       2.58475685               0
 C  -0.794656992       6.15542889       1.87868321               0
 C  -0.821773052       3.69090796       1.85994625               0
 C  -0.783382893       3.69688535      0.440025330               0
 C  -0.942510605       1.23473620      0.427374244               0
 C  -0.851297379       2.46322250     -0.280238390               0
 C   -1.05557489       7.98344612E-04 -0.286957264               0
 C   -1.09963894       7.76815414E-03  -1.70681429               0
 C   -1.36096764      -2.42470813      -1.71566987               0
 C   -1.26360273      -1.23008108      -2.42398977               0
 H   -1.49545622      -3.36340404      -2.26436114               0
 H  -0.882929802       9.56723118       2.42194033               0
 C  -0.821709871       8.62494087       1.86692667               0
 C  -0.706689835       8.62802124      0.506629229               0
 C  -0.699937582       6.16260624      0.460558534               0
 C  -0.631307840       7.40701675     -0.236093044               0
 C  -0.688857079       4.93156052     -0.270091057               0
 C  -0.592357635       4.94488049      -1.69473791               0
 C  -0.826980591       2.46814728      -1.70770812               0
 C  -0.662741423       3.69090581      -2.42685223               0
 C  -0.962201595       1.23128402      -2.41688347               0
 C  -0.946278572       1.21945596      -3.84508967               0
 C   -1.29645109      -1.19289756      -3.85716558               0
 C   -1.12876606      -2.06562281E-02  -4.53694916               0
 H   -1.44599247      -2.13489604      -4.39575386               0
 H  -0.675229311       9.57528973      -4.30240631E-02           0
 C  -0.482822895       7.38655472      -1.63435650               0
 H  -0.397824049       8.33768368      -2.17031121               0
 C  -0.455229282       6.19454670      -2.33783746               0
 H  -0.335672379       6.23987579      -3.42244172               0
 C  -0.598554850       3.62779140      -3.83677363               0
 H  -0.446823835       4.53977871      -4.41835403               0
 C  -0.740133762       2.43394804      -4.52367306               0
 H  -0.702196121       2.42495346      -5.61834526               0
 H   -1.12602997      -1.27335787E-02  -5.63312721               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -2.43879533     out: a-111-Gph-Rlx|gnp-2.80-0.72-0.00.out                        
 H  -0.873346567       2.46135473       8.55600739               0
 C  -0.809993505       2.47428155       7.46296453               0
 H  -0.700548649      0.330608308       7.34245539               0
 C  -0.697381258       1.26094294       6.76990414               0
 H   -6.91213608E-02  -1.28475499       6.34856796               0
 C  -0.256865263      -1.25655150       5.27251244               0
 H   -7.63812065E-02  -3.37517571       5.12586451               0
 C  -0.263306379      -2.45021892       4.57411528               0
 H  -0.661727428      -5.03513718       4.20823002               0
 C  -0.726053476      -4.98835850       3.11894274               0
 H  -0.961795807      -7.13003540       2.95726395               0
 C  -0.901537180      -6.18403339       2.40882134               0
 H  -0.918833494       4.62113428       7.32680559               0
 C  -0.844280958       3.67552733       6.78013468               0
 C  -0.786462069       3.69786239       5.36062193               0
 C  -0.606737137       1.22290969       5.37164545               0
 C  -0.675800800       2.45122933       4.64836311               0
 C  -0.480956793      -2.53989100E-02   4.63267756               0
 C  -0.577123404      -1.89011097E-02   3.21183014               0
 C  -0.505524874      -2.49320936       3.18986225               0
 C  -0.598413944      -1.25539553       2.48988390               0
 C  -0.663983583      -3.74828267       2.46671128               0
 C  -0.806131601      -3.71669316       1.04683387               0
 C   -1.01186538      -6.17333508       1.03100312               0
 C  -0.969745874      -4.94719601      0.315926582               0
 H   -1.14484382      -7.10695934      0.475740999               0
 H  -0.927171469       5.84474087       5.18639517               0
 C  -0.832976103       4.90209293       4.63662529               0
 C  -0.754225969       4.93013954       3.23573995               0
 C  -0.650948763       2.45542359       3.22489095               0
 C  -0.674763441       3.68397665       2.51492476               0
 C  -0.634067774       1.21979260       2.50160861               0
 C  -0.656837225       1.22648954       1.08433056               0
 C  -0.706538200      -1.24153674       1.06469715               0
 C  -0.705758810      -9.15735960E-03  0.363539040               0
 C  -0.798845530      -2.47712684      0.345600486               0
 C  -0.905420065      -2.46068311      -1.06959903               0
 C   -1.09537482      -4.90562725      -1.08372605               0
 C   -1.05839515      -3.69773126      -1.79536033               0
 H   -1.21514153      -5.84521008      -1.63399684               0
 H  -0.812128782       7.08790779       3.05375099               0
 C  -0.752581596       6.14160156       2.50490689               0
 C  -0.657930851       6.16615772       1.11591864               0
 C  -0.626231194       3.69321728       1.09475696               0
 C  -0.594656944       4.92542934      0.388683170               0
 C  -0.621773005       2.46090794      0.369946212               0
 C  -0.583382845       2.46688533      -1.04997468               0
 C  -0.742510557       4.73618507E-03  -1.06262577               0
 C  -0.651297331       1.23322237      -1.77023840               0
 C  -0.855574846      -1.22920167      -1.77695727               0
 C  -0.899638891      -1.22223186      -3.19681430               0
 C   -1.16096759      -3.65470815      -3.20566988               0
 C   -1.06360269      -2.46008110      -3.91398978               0
 H   -1.29545617      -4.59340382      -3.75436115               0
 H  -0.682929754       8.33723164      0.931940317               0
 C  -0.621709824       7.39494133      0.376926661               0
 C  -0.506689787       7.39802170     -0.983370781               0
 C  -0.499937534       4.93260670      -1.02944148               0
 C  -0.431307793       6.17701721      -1.72609305               0
 C  -0.488857031       3.70156026      -1.76009107               0
 C  -0.392357588       3.71488023      -3.18473792               0
 C  -0.626980543       1.23814726      -3.19770813               0
 C  -0.462741375       2.46090579      -3.91685224               0
 C  -0.762201548       1.28400326E-03  -3.90688348               0
 C  -0.746278524      -1.05441213E-02  -5.33508968               0
 C   -1.09645104      -2.42289758      -5.34716558               0
 C  -0.928766012      -1.25065625      -6.02694893               0
 H   -1.24599242      -3.36489606      -5.88575411               0
 H  -0.475229263       8.34529018      -1.53302407               0
 C  -0.282822847       6.15655518      -3.12435651               0
 H  -0.197824001       7.10768414      -3.66031122               0
 C  -0.255229235       4.96454716      -3.82783747               0
 H  -0.135672331       5.00987625      -4.91244173               0
 C  -0.398554802       2.39779139      -5.32677364               0
 H  -0.246823788       3.30977869      -5.90835428               0
 C  -0.540133715       1.20394790      -6.01367331               0
 H  -0.502196074       1.19495332      -7.10834551               0
 H  -0.926029921      -1.24273360      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.71701121     out: a-111-Gph-Rlx|gnp-2.80-1.95-1.49.out                        
 H  -0.873346567       3.69135475       10.0460072               0
 C  -0.809993505       3.70428157       8.95296478               0
 H  -0.700548649       1.56060839       8.83245564               0
 C  -0.697381258       2.49094296       8.25990391               0
 H   -6.91213608E-02  -5.47549725E-02   7.83856773               0
 C  -0.256865263      -2.65514851E-02   6.76251221               0
 H   -7.63812065E-02  -2.14517570       6.61586475               0
 C  -0.263306379      -1.22021890       6.06411552               0
 H  -0.661727428      -3.80513740       5.69822979               0
 C  -0.726053476      -3.75835872       4.60894299               0
 H  -0.961795807      -5.90003586       4.44726372               0
 C  -0.901537180      -4.95403385       3.89882135               0
 H  -0.918833494       5.85113430       8.81680584               0
 C  -0.844280958       4.90552711       8.27013493               0
 C  -0.786462069       4.92786217       6.85062218               0
 C  -0.606737137       2.45290971       6.86164570               0
 C  -0.675800800       3.68122935       6.13836288               0
 C  -0.480956793       1.20460105       6.12267780               0
 C  -0.577123404       1.21109891       4.70182991               0
 C  -0.505524874      -1.26320934       4.67986202               0
 C  -0.598413944      -2.53955126E-02   3.97988391               0
 C  -0.663983583      -2.51828265       3.95671129               0
 C  -0.806131601      -2.48669314       2.53683376               0
 C   -1.01186538      -4.94333553       2.52100325               0
 C  -0.969745874      -3.71719623       1.80592656               0
 H   -1.14484382      -5.87695980       1.96574104               0
 H  -0.927171469       7.07474041       6.67639542               0
 C  -0.832976103       6.13209248       6.12662506               0
 C  -0.754225969       6.16013908       4.72573996               0
 C  -0.650948763       3.68542361       4.71489096               0
 C  -0.674763441       4.91397667       4.00492477               0
 C  -0.634067774       2.44979262       3.99160862               0
 C  -0.656837225       2.45648956       2.57433057               0
 C  -0.706538200      -1.15367174E-02   2.55469704               0
 C  -0.705758810       1.22084260       1.85353899               0
 C  -0.798845530      -1.24712682       1.83560050               0
 C  -0.905420065      -1.23068309      0.420400977               0
 C   -1.09537482      -3.67562747      0.406273961               0
 C   -1.05839515      -2.46773124     -0.305360317               0
 H   -1.21514153      -4.61521053     -0.143996835               0
 H  -0.812128782       8.31790733       4.54375076               0
 C  -0.752581596       7.37160110       3.99490690               0
 C  -0.657930851       7.39615726       2.60591865               0
 C  -0.626231194       4.92321730       2.58475685               0
 C  -0.594656944       6.15542889       1.87868321               0
 C  -0.621773005       3.69090796       1.85994625               0
 C  -0.583382845       3.69688535      0.440025330               0
 C  -0.742510557       1.23473620      0.427374244               0
 C  -0.651297331       2.46322250     -0.280238390               0
 C  -0.855574846       7.98344612E-04 -0.286957264               0
 C  -0.899638891       7.76815414E-03  -1.70681429               0
 C   -1.16096759      -2.42470813      -1.71566987               0
 C   -1.06360269      -1.23008108      -2.42398977               0
 H   -1.29545617      -3.36340404      -2.26436114               0
 H  -0.682929754       9.56723118       2.42194033               0
 C  -0.621709824       8.62494087       1.86692667               0
 C  -0.506689787       8.62802124      0.506629229               0
 C  -0.499937534       6.16260624      0.460558534               0
 C  -0.431307793       7.40701675     -0.236093044               0
 C  -0.488857031       4.93156052     -0.270091057               0
 C  -0.392357588       4.94488049      -1.69473791               0
 C  -0.626980543       2.46814728      -1.70770812               0
 C  -0.462741375       3.69090581      -2.42685223               0
 C  -0.762201548       1.23128402      -2.41688347               0
 C  -0.746278524       1.21945596      -3.84508967               0
 C   -1.09645104      -1.19289756      -3.85716558               0
 C  -0.928766012      -2.06562281E-02  -4.53694916               0
 H   -1.24599242      -2.13489604      -4.39575386               0
 H  -0.475229263       9.57528973      -4.30240631E-02           0
 C  -0.282822847       7.38655472      -1.63435650               0
 H  -0.197824001       8.33768368      -2.17031121               0
 C  -0.255229235       6.19454670      -2.33783746               0
 H  -0.135672331       6.23987579      -3.42244172               0
 C  -0.398554802       3.62779140      -3.83677363               0
 H  -0.246823788       4.53977871      -4.41835403               0
 C  -0.540133715       2.43394804      -4.52367306               0
 H  -0.502196074       2.42495346      -5.61834526               0
 H  -0.926029921      -1.27335787E-02  -5.63312721               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.44732141     out: a-111-Gph-Rlx|gnp-2.80-5.65-0.00.out                        
 H  -0.873346567       7.39135456       8.55600739               0
 C  -0.809993505       7.40428162       7.46296453               0
 H  -0.700548649       5.26060820       7.34245539               0
 C  -0.697381258       6.19094324       6.76990414               0
 H   -6.91213608E-02   3.64524508       6.34856796               0
 C  -0.256865263       3.67344856       5.27251244               0
 H   -7.63812065E-02   1.55482435       5.12586451               0
 C  -0.263306379       2.47978115       4.57411528               0
 H  -0.661727428     -0.105137348       4.20823002               0
 C  -0.726053476      -5.83586693E-02   3.11894274               0
 H  -0.961795807      -2.20003557       2.95726395               0
 C  -0.901537180      -1.25403357       2.40882134               0
 H  -0.918833494       9.55113411       7.32680559               0
 C  -0.844280958       8.60552788       6.78013468               0
 C  -0.786462069       8.62786293       5.36062193               0
 C  -0.606737137       6.15290976       5.37164545               0
 C  -0.675800800       7.38122940       4.64836311               0
 C  -0.480956793       4.90460110       4.63267756               0
 C  -0.577123404       4.91109896       3.21183014               0
 C  -0.505524874       2.43679070       3.18986225               0
 C  -0.598413944       3.67460442       2.48988390               0
 C  -0.663983583       1.18171740       2.46671128               0
 C  -0.806131601       1.21330690       1.04683387               0
 C   -1.01186538      -1.24333525       1.03100312               0
 C  -0.969745874      -1.71961784E-02  0.315926582               0
 H   -1.14484382      -2.17695951      0.475740999               0
 H  -0.927171469       10.7747402       5.18639517               0
 C  -0.832976103       9.83209229       4.63662529               0
 C  -0.754225969       9.86013985       3.23573995               0
 C  -0.650948763       7.38542366       3.22489095               0
 C  -0.674763441       8.61397648       2.51492476               0
 C  -0.634067774       6.14979267       2.50160861               0
 C  -0.656837225       6.15648937       1.08433056               0
 C  -0.706538200       3.68846321       1.06469715               0
 C  -0.705758810       4.92084265      0.363539040               0
 C  -0.798845530       2.45287323      0.345600486               0
 C  -0.905420065       2.46931696      -1.06959903               0
 C   -1.09537482       2.43725777E-02  -1.08372605               0
 C   -1.05839515       1.23226881      -1.79536033               0
 H   -1.21514153     -0.915210247      -1.63399684               0
 H  -0.812128782       12.0179081       3.05375099               0
 C  -0.752581596       11.0716019       2.50490689               0
 C  -0.657930851       11.0961571       1.11591864               0
 C  -0.626231194       8.62321758       1.09475696               0
 C  -0.594656944       9.85542870      0.388683170               0
 C  -0.621773005       7.39090824      0.369946212               0
 C  -0.583382845       7.39688540      -1.04997468               0
 C  -0.742510557       4.93473625      -1.06262577               0
 C  -0.651297331       6.16322231      -1.77023840               0
 C  -0.855574846       3.70079851      -1.77695727               0
 C  -0.899638891       3.70776820      -3.19681430               0
 C   -1.16096759       1.27529192      -3.20566988               0
 C   -1.06360269       2.46991897      -3.91398978               0
 H   -1.29545617      0.336596012      -3.75436115               0
 H  -0.682929754       13.2672310      0.931940317               0
 C  -0.621709824       12.3249416      0.376926661               0
 C  -0.506689787       12.3280220     -0.983370781               0
 C  -0.499937534       9.86260605      -1.02944148               0
 C  -0.431307793       11.1070175      -1.72609305               0
 C  -0.488857031       8.63156033      -1.76009107               0
 C  -0.392357588       8.64488029      -3.18473792               0
 C  -0.626980543       6.16814756      -3.19770813               0
 C  -0.462741375       7.39090586      -3.91685224               0
 C  -0.762201548       4.93128395      -3.90688348               0
 C  -0.746278524       4.91945601      -5.33508968               0
 C   -1.09645104       2.50710249      -5.34716558               0
 C  -0.928766012       3.67934370      -6.02694893               0
 H   -1.24599242       1.56510401      -5.88575411               0
 H  -0.475229263       13.2752895      -1.53302407               0
 C  -0.282822847       11.0865555      -3.12435651               0
 H  -0.197824001       12.0376835      -3.66031122               0
 C  -0.255229235       9.89454651      -3.82783747               0
 H  -0.135672331       9.93987656      -4.91244173               0
 C  -0.398554802       7.32779121      -5.32677364               0
 H  -0.246823788       8.23977852      -5.90835428               0
 C  -0.540133715       6.13394785      -6.01367331               0
 H  -0.502196074       6.12495327      -7.10834551               0
 H  -0.926029921       3.68726635      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -2.50326061     out: a-111-Gph-Rlx|gnp-3.00-0.72-0.00.out                        
 H  -0.673346519       2.46135473       8.55600739               0
 C  -0.609993458       2.47428155       7.46296453               0
 H  -0.500548601      0.330608308       7.34245539               0
 C  -0.497381210       1.26094294       6.76990414               0
 H   0.130878687      -1.28475499       6.34856796               0
 C   -5.68652153E-02  -1.25655150       5.27251244               0
 H   0.123618841      -3.37517571       5.12586451               0
 C   -6.33063316E-02  -2.45021892       4.57411528               0
 H  -0.461727381      -5.03513718       4.20823002               0
 C  -0.526053429      -4.98835850       3.11894274               0
 H  -0.761795759      -7.13003540       2.95726395               0
 C  -0.701537132      -6.18403339       2.40882134               0
 H  -0.718833447       4.62113428       7.32680559               0
 C  -0.644280910       3.67552733       6.78013468               0
 C  -0.586462021       3.69786239       5.36062193               0
 C  -0.406737089       1.22290969       5.37164545               0
 C  -0.475800753       2.45122933       4.64836311               0
 C  -0.280956745      -2.53989100E-02   4.63267756               0
 C  -0.377123356      -1.89011097E-02   3.21183014               0
 C  -0.305524826      -2.49320936       3.18986225               0
 C  -0.398413897      -1.25539553       2.48988390               0
 C  -0.463983536      -3.74828267       2.46671128               0
 C  -0.606131554      -3.71669316       1.04683387               0
 C  -0.811865330      -6.17333508       1.03100312               0
 C  -0.769745827      -4.94719601      0.315926582               0
 H  -0.944843769      -7.10695934      0.475740999               0
 H  -0.727171421       5.84474087       5.18639517               0
 C  -0.632976055       4.90209293       4.63662529               0
 C  -0.554225922       4.93013954       3.23573995               0
 C  -0.450948715       2.45542359       3.22489095               0
 C  -0.474763393       3.68397665       2.51492476               0
 C  -0.434067726       1.21979260       2.50160861               0
 C  -0.456837177       1.22648954       1.08433056               0
 C  -0.506538153      -1.24153674       1.06469715               0
 C  -0.505758762      -9.15735960E-03  0.363539040               0
 C  -0.598845482      -2.47712684      0.345600486               0
 C  -0.705420017      -2.46068311      -1.06959903               0
 C  -0.895374775      -4.90562725      -1.08372605               0
 C  -0.858395100      -3.69773126      -1.79536033               0
 H   -1.01514149      -5.84521008      -1.63399684               0
 H  -0.612128735       7.08790779       3.05375099               0
 C  -0.552581549       6.14160156       2.50490689               0
 C  -0.457930803       6.16615772       1.11591864               0
 C  -0.426231146       3.69321728       1.09475696               0
 C  -0.394656897       4.92542934      0.388683170               0
 C  -0.421772957       2.46090794      0.369946212               0
 C  -0.383382797       2.46688533      -1.04997468               0
 C  -0.542510509       4.73618507E-03  -1.06262577               0
 C  -0.451297283       1.23322237      -1.77023840               0
 C  -0.655574799      -1.22920167      -1.77695727               0
 C  -0.699638844      -1.22223186      -3.19681430               0
 C  -0.960967541      -3.65470815      -3.20566988               0
 C  -0.863602638      -2.46008110      -3.91398978               0
 H   -1.09545612      -4.59340382      -3.75436115               0
 H  -0.482929707       8.33723164      0.931940317               0
 C  -0.421709776       7.39494133      0.376926661               0
 C  -0.306689739       7.39802170     -0.983370781               0
 C  -0.299937487       4.93260670      -1.02944148               0
 C  -0.231307745       6.17701721      -1.72609305               0
 C  -0.288856983       3.70156026      -1.76009107               0
 C  -0.192357540       3.71488023      -3.18473792               0
 C  -0.426980495       1.23814726      -3.19770813               0
 C  -0.262741327       2.46090579      -3.91685224               0
 C  -0.562201500       1.28400326E-03  -3.90688348               0
 C  -0.546278477      -1.05441213E-02  -5.33508968               0
 C  -0.896450996      -2.42289758      -5.34716558               0
 C  -0.728765965      -1.25065625      -6.02694893               0
 H   -1.04599237      -3.36489606      -5.88575411               0
 H  -0.275229216       8.34529018      -1.53302407               0
 C   -8.28227997E-02   6.15655518      -3.12435651               0
 H    2.17604637E-03   7.10768414      -3.66031122               0
 C   -5.52291870E-02   4.96454716      -3.82783747               0
 H    6.43277168E-02   5.00987625      -4.91244173               0
 C  -0.198554754       2.39779139      -5.32677364               0
 H   -4.68237400E-02   3.30977869      -5.90835428               0
 C  -0.340133667       1.20394790      -6.01367331               0
 H  -0.302196026       1.19495332      -7.10834551               0
 H  -0.726029873      -1.24273360      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -2.02899909     out: a-111-Gph-Rlx|gnp-3.00-1.95-1.49.out                        
 H  -0.673346519       3.69135475       10.0460072               0
 C  -0.609993458       3.70428157       8.95296478               0
 H  -0.500548601       1.56060839       8.83245564               0
 C  -0.497381210       2.49094296       8.25990391               0
 H   0.130878687      -5.47549725E-02   7.83856773               0
 C   -5.68652153E-02  -2.65514851E-02   6.76251221               0
 H   0.123618841      -2.14517570       6.61586475               0
 C   -6.33063316E-02  -1.22021890       6.06411552               0
 H  -0.461727381      -3.80513740       5.69822979               0
 C  -0.526053429      -3.75835872       4.60894299               0
 H  -0.761795759      -5.90003586       4.44726372               0
 C  -0.701537132      -4.95403385       3.89882135               0
 H  -0.718833447       5.85113430       8.81680584               0
 C  -0.644280910       4.90552711       8.27013493               0
 C  -0.586462021       4.92786217       6.85062218               0
 C  -0.406737089       2.45290971       6.86164570               0
 C  -0.475800753       3.68122935       6.13836288               0
 C  -0.280956745       1.20460105       6.12267780               0
 C  -0.377123356       1.21109891       4.70182991               0
 C  -0.305524826      -1.26320934       4.67986202               0
 C  -0.398413897      -2.53955126E-02   3.97988391               0
 C  -0.463983536      -2.51828265       3.95671129               0
 C  -0.606131554      -2.48669314       2.53683376               0
 C  -0.811865330      -4.94333553       2.52100325               0
 C  -0.769745827      -3.71719623       1.80592656               0
 H  -0.944843769      -5.87695980       1.96574104               0
 H  -0.727171421       7.07474041       6.67639542               0
 C  -0.632976055       6.13209248       6.12662506               0
 C  -0.554225922       6.16013908       4.72573996               0
 C  -0.450948715       3.68542361       4.71489096               0
 C  -0.474763393       4.91397667       4.00492477               0
 C  -0.434067726       2.44979262       3.99160862               0
 C  -0.456837177       2.45648956       2.57433057               0
 C  -0.506538153      -1.15367174E-02   2.55469704               0
 C  -0.505758762       1.22084260       1.85353899               0
 C  -0.598845482      -1.24712682       1.83560050               0
 C  -0.705420017      -1.23068309      0.420400977               0
 C  -0.895374775      -3.67562747      0.406273961               0
 C  -0.858395100      -2.46773124     -0.305360317               0
 H   -1.01514149      -4.61521053     -0.143996835               0
 H  -0.612128735       8.31790733       4.54375076               0
 C  -0.552581549       7.37160110       3.99490690               0
 C  -0.457930803       7.39615726       2.60591865               0
 C  -0.426231146       4.92321730       2.58475685               0
 C  -0.394656897       6.15542889       1.87868321               0
 C  -0.421772957       3.69090796       1.85994625               0
 C  -0.383382797       3.69688535      0.440025330               0
 C  -0.542510509       1.23473620      0.427374244               0
 C  -0.451297283       2.46322250     -0.280238390               0
 C  -0.655574799       7.98344612E-04 -0.286957264               0
 C  -0.699638844       7.76815414E-03  -1.70681429               0
 C  -0.960967541      -2.42470813      -1.71566987               0
 C  -0.863602638      -1.23008108      -2.42398977               0
 H   -1.09545612      -3.36340404      -2.26436114               0
 H  -0.482929707       9.56723118       2.42194033               0
 C  -0.421709776       8.62494087       1.86692667               0
 C  -0.306689739       8.62802124      0.506629229               0
 C  -0.299937487       6.16260624      0.460558534               0
 C  -0.231307745       7.40701675     -0.236093044               0
 C  -0.288856983       4.93156052     -0.270091057               0
 C  -0.192357540       4.94488049      -1.69473791               0
 C  -0.426980495       2.46814728      -1.70770812               0
 C  -0.262741327       3.69090581      -2.42685223               0
 C  -0.562201500       1.23128402      -2.41688347               0
 C  -0.546278477       1.21945596      -3.84508967               0
 C  -0.896450996      -1.19289756      -3.85716558               0
 C  -0.728765965      -2.06562281E-02  -4.53694916               0
 H   -1.04599237      -2.13489604      -4.39575386               0
 H  -0.275229216       9.57528973      -4.30240631E-02           0
 C   -8.28227997E-02   7.38655472      -1.63435650               0
 H    2.17604637E-03   8.33768368      -2.17031121               0
 C   -5.52291870E-02   6.19454670      -2.33783746               0
 H    6.43277168E-02   6.23987579      -3.42244172               0
 C  -0.198554754       3.62779140      -3.83677363               0
 H   -4.68237400E-02   4.53977871      -4.41835403               0
 C  -0.340133667       2.43394804      -4.52367306               0
 H  -0.302196026       2.42495346      -5.61834526               0
 H  -0.726029873      -1.27335787E-02  -5.63312721               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.57461500     out: a-111-Gph-Rlx|gnp-3.00-5.65-0.00.out                        
 H  -0.673346519       7.39135456       8.55600739               0
 C  -0.609993458       7.40428162       7.46296453               0
 H  -0.500548601       5.26060820       7.34245539               0
 C  -0.497381210       6.19094324       6.76990414               0
 H   0.130878687       3.64524508       6.34856796               0
 C   -5.68652153E-02   3.67344856       5.27251244               0
 H   0.123618841       1.55482435       5.12586451               0
 C   -6.33063316E-02   2.47978115       4.57411528               0
 H  -0.461727381     -0.105137348       4.20823002               0
 C  -0.526053429      -5.83586693E-02   3.11894274               0
 H  -0.761795759      -2.20003557       2.95726395               0
 C  -0.701537132      -1.25403357       2.40882134               0
 H  -0.718833447       9.55113411       7.32680559               0
 C  -0.644280910       8.60552788       6.78013468               0
 C  -0.586462021       8.62786293       5.36062193               0
 C  -0.406737089       6.15290976       5.37164545               0
 C  -0.475800753       7.38122940       4.64836311               0
 C  -0.280956745       4.90460110       4.63267756               0
 C  -0.377123356       4.91109896       3.21183014               0
 C  -0.305524826       2.43679070       3.18986225               0
 C  -0.398413897       3.67460442       2.48988390               0
 C  -0.463983536       1.18171740       2.46671128               0
 C  -0.606131554       1.21330690       1.04683387               0
 C  -0.811865330      -1.24333525       1.03100312               0
 C  -0.769745827      -1.71961784E-02  0.315926582               0
 H  -0.944843769      -2.17695951      0.475740999               0
 H  -0.727171421       10.7747402       5.18639517               0
 C  -0.632976055       9.83209229       4.63662529               0
 C  -0.554225922       9.86013985       3.23573995               0
 C  -0.450948715       7.38542366       3.22489095               0
 C  -0.474763393       8.61397648       2.51492476               0
 C  -0.434067726       6.14979267       2.50160861               0
 C  -0.456837177       6.15648937       1.08433056               0
 C  -0.506538153       3.68846321       1.06469715               0
 C  -0.505758762       4.92084265      0.363539040               0
 C  -0.598845482       2.45287323      0.345600486               0
 C  -0.705420017       2.46931696      -1.06959903               0
 C  -0.895374775       2.43725777E-02  -1.08372605               0
 C  -0.858395100       1.23226881      -1.79536033               0
 H   -1.01514149     -0.915210247      -1.63399684               0
 H  -0.612128735       12.0179081       3.05375099               0
 C  -0.552581549       11.0716019       2.50490689               0
 C  -0.457930803       11.0961571       1.11591864               0
 C  -0.426231146       8.62321758       1.09475696               0
 C  -0.394656897       9.85542870      0.388683170               0
 C  -0.421772957       7.39090824      0.369946212               0
 C  -0.383382797       7.39688540      -1.04997468               0
 C  -0.542510509       4.93473625      -1.06262577               0
 C  -0.451297283       6.16322231      -1.77023840               0
 C  -0.655574799       3.70079851      -1.77695727               0
 C  -0.699638844       3.70776820      -3.19681430               0
 C  -0.960967541       1.27529192      -3.20566988               0
 C  -0.863602638       2.46991897      -3.91398978               0
 H   -1.09545612      0.336596012      -3.75436115               0
 H  -0.482929707       13.2672310      0.931940317               0
 C  -0.421709776       12.3249416      0.376926661               0
 C  -0.306689739       12.3280220     -0.983370781               0
 C  -0.299937487       9.86260605      -1.02944148               0
 C  -0.231307745       11.1070175      -1.72609305               0
 C  -0.288856983       8.63156033      -1.76009107               0
 C  -0.192357540       8.64488029      -3.18473792               0
 C  -0.426980495       6.16814756      -3.19770813               0
 C  -0.262741327       7.39090586      -3.91685224               0
 C  -0.562201500       4.93128395      -3.90688348               0
 C  -0.546278477       4.91945601      -5.33508968               0
 C  -0.896450996       2.50710249      -5.34716558               0
 C  -0.728765965       3.67934370      -6.02694893               0
 H   -1.04599237       1.56510401      -5.88575411               0
 H  -0.275229216       13.2752895      -1.53302407               0
 C   -8.28227997E-02   11.0865555      -3.12435651               0
 H    2.17604637E-03   12.0376835      -3.66031122               0
 C   -5.52291870E-02   9.89454651      -3.82783747               0
 H    6.43277168E-02   9.93987656      -4.91244173               0
 C  -0.198554754       7.32779121      -5.32677364               0
 H   -4.68237400E-02   8.23977852      -5.90835428               0
 C  -0.340133667       6.13394785      -6.01367331               0
 H  -0.302196026       6.12495327      -7.10834551               0
 H  -0.726029873       3.68726635      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -2.19682193     out: a-111-Gph-Rlx|gnp-3.40-0.72-0.00.out                        
 H  -0.273346424       2.46135473       8.55600739               0
 C  -0.209993362       2.47428155       7.46296453               0
 H  -0.100548506      0.330608308       7.34245539               0
 C   -9.73811150E-02   1.26094294       6.76990414               0
 H   0.530878782      -1.28475499       6.34856796               0
 C   0.343134880      -1.25655150       5.27251244               0
 H   0.523618937      -3.37517571       5.12586451               0
 C   0.336693764      -2.45021892       4.57411528               0
 H   -6.17272854E-02  -5.03513718       4.20823002               0
 C  -0.126053333      -4.98835850       3.11894274               0
 H  -0.361795664      -7.13003540       2.95726395               0
 C  -0.301537037      -6.18403339       2.40882134               0
 H  -0.318833351       4.62113428       7.32680559               0
 C  -0.244280815       3.67552733       6.78013468               0
 C  -0.186461926       3.69786239       5.36062193               0
 C   -6.73699379E-03   1.22290969       5.37164545               0
 C   -7.58006573E-02   2.45122933       4.64836311               0
 C   0.119043350      -2.53989100E-02   4.63267756               0
 C    2.28767395E-02  -1.89011097E-02   3.21183014               0
 C    9.44752693E-02  -2.49320936       3.18986225               0
 C    1.58619881E-03  -1.25539553       2.48988390               0
 C   -6.39834404E-02  -3.74828267       2.46671128               0
 C  -0.206131458      -3.71669316       1.04683387               0
 C  -0.411865234      -6.17333508       1.03100312               0
 C  -0.369745731      -4.94719601      0.315926582               0
 H  -0.544843674      -7.10695934      0.475740999               0
 H  -0.327171326       5.84474087       5.18639517               0
 C  -0.232975960       4.90209293       4.63662529               0
 C  -0.154225826       4.93013954       3.23573995               0
 C   -5.09486198E-02   2.45542359       3.22489095               0
 C   -7.47632980E-02   3.68397665       2.51492476               0
 C   -3.40676308E-02   1.21979260       2.50160861               0
 C   -5.68370819E-02   1.22648954       1.08433056               0
 C  -0.106538057      -1.24153674       1.06469715               0
 C  -0.105758667      -9.15735960E-03  0.363539040               0
 C  -0.198845387      -2.47712684      0.345600486               0
 C  -0.305419922      -2.46068311      -1.06959903               0
 C  -0.495374680      -4.90562725      -1.08372605               0
 C  -0.458395004      -3.69773126      -1.79536033               0
 H  -0.615141392      -5.84521008      -1.63399684               0
 H  -0.212128639       7.08790779       3.05375099               0
 C  -0.152581453       6.14160156       2.50490689               0
 C   -5.79307079E-02   6.16615772       1.11591864               0
 C   -2.62310505E-02   3.69321728       1.09475696               0
 C    5.34319878E-03   4.92542934      0.388683170               0
 C   -2.17728615E-02   2.46090794      0.369946212               0
 C    1.66172981E-02   2.46688533      -1.04997468               0
 C  -0.142510414       4.73618507E-03  -1.06262577               0
 C   -5.12971878E-02   1.23322237      -1.77023840               0
 C  -0.255574703      -1.22920167      -1.77695727               0
 C  -0.299638748      -1.22223186      -3.19681430               0
 C  -0.560967445      -3.65470815      -3.20566988               0
 C  -0.463602543      -2.46008110      -3.91398978               0
 H  -0.695456028      -4.59340382      -3.75436115               0
 H   -8.29296112E-02   8.33723164      0.931940317               0
 C   -2.17096806E-02   7.39494133      0.376926661               0
 C    9.33103561E-02   7.39802170     -0.983370781               0
 C   0.100062609       4.93260670      -1.02944148               0
 C   0.168692350       6.17701721      -1.72609305               0
 C   0.111143112       3.70156026      -1.76009107               0
 C   0.207642555       3.71488023      -3.18473792               0
 C   -2.69804001E-02   1.23814726      -3.19770813               0
 C   0.137258768       2.46090579      -3.91685224               0
 C  -0.162201405       1.28400326E-03  -3.90688348               0
 C  -0.146278381      -1.05441213E-02  -5.33508968               0
 C  -0.496450901      -2.42289758      -5.34716558               0
 C  -0.328765869      -1.25065625      -6.02694893               0
 H  -0.645992279      -3.36489606      -5.88575411               0
 H   0.124770880       8.34529018      -1.53302407               0
 C   0.317177296       6.15655518      -3.12435651               0
 H   0.402176142       7.10768414      -3.66031122               0
 C   0.344770908       4.96454716      -3.82783747               0
 H   0.464327812       5.00987625      -4.91244173               0
 C   0.201445341       2.39779139      -5.32677364               0
 H   0.353176355       3.30977869      -5.90835428               0
 C    5.98664284E-02   1.20394790      -6.01367331               0
 H    9.78040695E-02   1.19495332      -7.10834551               0
 H  -0.326029778      -1.24273360      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.98203671     out: a-111-Gph-Rlx|gnp-3.40-1.95-1.49.out                        
 H  -0.273346424       3.69135475       10.0460072               0
 C  -0.209993362       3.70428157       8.95296478               0
 H  -0.100548506       1.56060839       8.83245564               0
 C   -9.73811150E-02   2.49094296       8.25990391               0
 H   0.530878782      -5.47549725E-02   7.83856773               0
 C   0.343134880      -2.65514851E-02   6.76251221               0
 H   0.523618937      -2.14517570       6.61586475               0
 C   0.336693764      -1.22021890       6.06411552               0
 H   -6.17272854E-02  -3.80513740       5.69822979               0
 C  -0.126053333      -3.75835872       4.60894299               0
 H  -0.361795664      -5.90003586       4.44726372               0
 C  -0.301537037      -4.95403385       3.89882135               0
 H  -0.318833351       5.85113430       8.81680584               0
 C  -0.244280815       4.90552711       8.27013493               0
 C  -0.186461926       4.92786217       6.85062218               0
 C   -6.73699379E-03   2.45290971       6.86164570               0
 C   -7.58006573E-02   3.68122935       6.13836288               0
 C   0.119043350       1.20460105       6.12267780               0
 C    2.28767395E-02   1.21109891       4.70182991               0
 C    9.44752693E-02  -1.26320934       4.67986202               0
 C    1.58619881E-03  -2.53955126E-02   3.97988391               0
 C   -6.39834404E-02  -2.51828265       3.95671129               0
 C  -0.206131458      -2.48669314       2.53683376               0
 C  -0.411865234      -4.94333553       2.52100325               0
 C  -0.369745731      -3.71719623       1.80592656               0
 H  -0.544843674      -5.87695980       1.96574104               0
 H  -0.327171326       7.07474041       6.67639542               0
 C  -0.232975960       6.13209248       6.12662506               0
 C  -0.154225826       6.16013908       4.72573996               0
 C   -5.09486198E-02   3.68542361       4.71489096               0
 C   -7.47632980E-02   4.91397667       4.00492477               0
 C   -3.40676308E-02   2.44979262       3.99160862               0
 C   -5.68370819E-02   2.45648956       2.57433057               0
 C  -0.106538057      -1.15367174E-02   2.55469704               0
 C  -0.105758667       1.22084260       1.85353899               0
 C  -0.198845387      -1.24712682       1.83560050               0
 C  -0.305419922      -1.23068309      0.420400977               0
 C  -0.495374680      -3.67562747      0.406273961               0
 C  -0.458395004      -2.46773124     -0.305360317               0
 H  -0.615141392      -4.61521053     -0.143996835               0
 H  -0.212128639       8.31790733       4.54375076               0
 C  -0.152581453       7.37160110       3.99490690               0
 C   -5.79307079E-02   7.39615726       2.60591865               0
 C   -2.62310505E-02   4.92321730       2.58475685               0
 C    5.34319878E-03   6.15542889       1.87868321               0
 C   -2.17728615E-02   3.69090796       1.85994625               0
 C    1.66172981E-02   3.69688535      0.440025330               0
 C  -0.142510414       1.23473620      0.427374244               0
 C   -5.12971878E-02   2.46322250     -0.280238390               0
 C  -0.255574703       7.98344612E-04 -0.286957264               0
 C  -0.299638748       7.76815414E-03  -1.70681429               0
 C  -0.560967445      -2.42470813      -1.71566987               0
 C  -0.463602543      -1.23008108      -2.42398977               0
 H  -0.695456028      -3.36340404      -2.26436114               0
 H   -8.29296112E-02   9.56723118       2.42194033               0
 C   -2.17096806E-02   8.62494087       1.86692667               0
 C    9.33103561E-02   8.62802124      0.506629229               0
 C   0.100062609       6.16260624      0.460558534               0
 C   0.168692350       7.40701675     -0.236093044               0
 C   0.111143112       4.93156052     -0.270091057               0
 C   0.207642555       4.94488049      -1.69473791               0
 C   -2.69804001E-02   2.46814728      -1.70770812               0
 C   0.137258768       3.69090581      -2.42685223               0
 C  -0.162201405       1.23128402      -2.41688347               0
 C  -0.146278381       1.21945596      -3.84508967               0
 C  -0.496450901      -1.19289756      -3.85716558               0
 C  -0.328765869      -2.06562281E-02  -4.53694916               0
 H  -0.645992279      -2.13489604      -4.39575386               0
 H   0.124770880       9.57528973      -4.30240631E-02           0
 C   0.317177296       7.38655472      -1.63435650               0
 H   0.402176142       8.33768368      -2.17031121               0
 C   0.344770908       6.19454670      -2.33783746               0
 H   0.464327812       6.23987579      -3.42244172               0
 C   0.201445341       3.62779140      -3.83677363               0
 H   0.353176355       4.53977871      -4.41835403               0
 C    5.98664284E-02   2.43394804      -4.52367306               0
 H    9.78040695E-02   2.42495346      -5.61834526               0
 H  -0.326029778      -1.27335787E-02  -5.63312721               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.46776938     out: a-111-Gph-Rlx|gnp-3.40-5.65-0.00.out                        
 H  -0.273346424       7.39135456       8.55600739               0
 C  -0.209993362       7.40428162       7.46296453               0
 H  -0.100548506       5.26060820       7.34245539               0
 C   -9.73811150E-02   6.19094324       6.76990414               0
 H   0.530878782       3.64524508       6.34856796               0
 C   0.343134880       3.67344856       5.27251244               0
 H   0.523618937       1.55482435       5.12586451               0
 C   0.336693764       2.47978115       4.57411528               0
 H   -6.17272854E-02 -0.105137348       4.20823002               0
 C  -0.126053333      -5.83586693E-02   3.11894274               0
 H  -0.361795664      -2.20003557       2.95726395               0
 C  -0.301537037      -1.25403357       2.40882134               0
 H  -0.318833351       9.55113411       7.32680559               0
 C  -0.244280815       8.60552788       6.78013468               0
 C  -0.186461926       8.62786293       5.36062193               0
 C   -6.73699379E-03   6.15290976       5.37164545               0
 C   -7.58006573E-02   7.38122940       4.64836311               0
 C   0.119043350       4.90460110       4.63267756               0
 C    2.28767395E-02   4.91109896       3.21183014               0
 C    9.44752693E-02   2.43679070       3.18986225               0
 C    1.58619881E-03   3.67460442       2.48988390               0
 C   -6.39834404E-02   1.18171740       2.46671128               0
 C  -0.206131458       1.21330690       1.04683387               0
 C  -0.411865234      -1.24333525       1.03100312               0
 C  -0.369745731      -1.71961784E-02  0.315926582               0
 H  -0.544843674      -2.17695951      0.475740999               0
 H  -0.327171326       10.7747402       5.18639517               0
 C  -0.232975960       9.83209229       4.63662529               0
 C  -0.154225826       9.86013985       3.23573995               0
 C   -5.09486198E-02   7.38542366       3.22489095               0
 C   -7.47632980E-02   8.61397648       2.51492476               0
 C   -3.40676308E-02   6.14979267       2.50160861               0
 C   -5.68370819E-02   6.15648937       1.08433056               0
 C  -0.106538057       3.68846321       1.06469715               0
 C  -0.105758667       4.92084265      0.363539040               0
 C  -0.198845387       2.45287323      0.345600486               0
 C  -0.305419922       2.46931696      -1.06959903               0
 C  -0.495374680       2.43725777E-02  -1.08372605               0
 C  -0.458395004       1.23226881      -1.79536033               0
 H  -0.615141392     -0.915210247      -1.63399684               0
 H  -0.212128639       12.0179081       3.05375099               0
 C  -0.152581453       11.0716019       2.50490689               0
 C   -5.79307079E-02   11.0961571       1.11591864               0
 C   -2.62310505E-02   8.62321758       1.09475696               0
 C    5.34319878E-03   9.85542870      0.388683170               0
 C   -2.17728615E-02   7.39090824      0.369946212               0
 C    1.66172981E-02   7.39688540      -1.04997468               0
 C  -0.142510414       4.93473625      -1.06262577               0
 C   -5.12971878E-02   6.16322231      -1.77023840               0
 C  -0.255574703       3.70079851      -1.77695727               0
 C  -0.299638748       3.70776820      -3.19681430               0
 C  -0.560967445       1.27529192      -3.20566988               0
 C  -0.463602543       2.46991897      -3.91398978               0
 H  -0.695456028      0.336596012      -3.75436115               0
 H   -8.29296112E-02   13.2672310      0.931940317               0
 C   -2.17096806E-02   12.3249416      0.376926661               0
 C    9.33103561E-02   12.3280220     -0.983370781               0
 C   0.100062609       9.86260605      -1.02944148               0
 C   0.168692350       11.1070175      -1.72609305               0
 C   0.111143112       8.63156033      -1.76009107               0
 C   0.207642555       8.64488029      -3.18473792               0
 C   -2.69804001E-02   6.16814756      -3.19770813               0
 C   0.137258768       7.39090586      -3.91685224               0
 C  -0.162201405       4.93128395      -3.90688348               0
 C  -0.146278381       4.91945601      -5.33508968               0
 C  -0.496450901       2.50710249      -5.34716558               0
 C  -0.328765869       3.67934370      -6.02694893               0
 H  -0.645992279       1.56510401      -5.88575411               0
 H   0.124770880       13.2752895      -1.53302407               0
 C   0.317177296       11.0865555      -3.12435651               0
 H   0.402176142       12.0376835      -3.66031122               0
 C   0.344770908       9.89454651      -3.82783747               0
 H   0.464327812       9.93987656      -4.91244173               0
 C   0.201445341       7.32779121      -5.32677364               0
 H   0.353176355       8.23977852      -5.90835428               0
 C    5.98664284E-02   6.13394785      -6.01367331               0
 H    9.78040695E-02   6.12495327      -7.10834551               0
 H  -0.326029778       3.68726635      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.63359261     out: a-111-Gph-Rlx|gnp-3.80-0.72-0.00.out                        
 H   0.126653433       2.46135473       8.55600739               0
 C   0.190006495       2.47428155       7.46296453               0
 H   0.299451351      0.330608308       7.34245539               0
 C   0.302618742       1.26094294       6.76990414               0
 H   0.930878639      -1.28475499       6.34856796               0
 C   0.743134737      -1.25655150       5.27251244               0
 H   0.923618793      -3.37517571       5.12586451               0
 C   0.736693621      -2.45021892       4.57411528               0
 H   0.338272572      -5.03513718       4.20823002               0
 C   0.273946524      -4.98835850       3.11894274               0
 H    3.82041931E-02  -7.13003540       2.95726395               0
 C    9.84628201E-02  -6.18403339       2.40882134               0
 H    8.11665058E-02   4.62113428       7.32680559               0
 C   0.155719042       3.67552733       6.78013468               0
 C   0.213537931       3.69786239       5.36062193               0
 C   0.393262863       1.22290969       5.37164545               0
 C   0.324199200       2.45122933       4.64836311               0
 C   0.519043207      -2.53989100E-02   4.63267756               0
 C   0.422876596      -1.89011097E-02   3.21183014               0
 C   0.494475126      -2.49320936       3.18986225               0
 C   0.401586056      -1.25539553       2.48988390               0
 C   0.336016417      -3.74828267       2.46671128               0
 C   0.193868399      -3.71669316       1.04683387               0
 C   -1.18653774E-02  -6.17333508       1.03100312               0
 C    3.02541256E-02  -4.94719601      0.315926582               0
 H  -0.144843817      -7.10695934      0.475740999               0
 H    7.28285313E-02   5.84474087       5.18639517               0
 C   0.167023897       4.90209293       4.63662529               0
 C   0.245774031       4.93013954       3.23573995               0
 C   0.349051237       2.45542359       3.22489095               0
 C   0.325236559       3.68397665       2.51492476               0
 C   0.365932226       1.21979260       2.50160861               0
 C   0.343162775       1.22648954       1.08433056               0
 C   0.293461800      -1.24153674       1.06469715               0
 C   0.294241190      -9.15735960E-03  0.363539040               0
 C   0.201154470      -2.47712684      0.345600486               0
 C    9.45799351E-02  -2.46068311      -1.06959903               0
 C   -9.53748226E-02  -4.90562725      -1.08372605               0
 C   -5.83951473E-02  -3.69773126      -1.79536033               0
 H  -0.215141535      -5.84521008      -1.63399684               0
 H   0.187871218       7.08790779       3.05375099               0
 C   0.247418404       6.14160156       2.50490689               0
 C   0.342069149       6.16615772       1.11591864               0
 C   0.373768806       3.69321728       1.09475696               0
 C   0.405343056       4.92542934      0.388683170               0
 C   0.378226995       2.46090794      0.369946212               0
 C   0.416617155       2.46688533      -1.04997468               0
 C   0.257489443       4.73618507E-03  -1.06262577               0
 C   0.348702669       1.23322237      -1.77023840               0
 C   0.144425154      -1.22920167      -1.77695727               0
 C   0.100361109      -1.22223186      -3.19681430               0
 C  -0.160967588      -3.65470815      -3.20566988               0
 C   -6.36026859E-02  -2.46008110      -3.91398978               0
 H  -0.295456171      -4.59340382      -3.75436115               0
 H   0.317070246       8.33723164      0.931940317               0
 C   0.378290176       7.39494133      0.376926661               0
 C   0.493310213       7.39802170     -0.983370781               0
 C   0.500062466       4.93260670      -1.02944148               0
 C   0.568692207       6.17701721      -1.72609305               0
 C   0.511142969       3.70156026      -1.76009107               0
 C   0.607642412       3.71488023      -3.18473792               0
 C   0.373019457       1.23814726      -3.19770813               0
 C   0.537258625       2.46090579      -3.91685224               0
 C   0.237798452       1.28400326E-03  -3.90688348               0
 C   0.253721476      -1.05441213E-02  -5.33508968               0
 C   -9.64510441E-02  -2.42289758      -5.34716558               0
 C    7.12339878E-02  -1.25065625      -6.02694893               0
 H  -0.245992422      -3.36489606      -5.88575411               0
 H   0.524770737       8.34529018      -1.53302407               0
 C   0.717177153       6.15655518      -3.12435651               0
 H   0.802175999       7.10768414      -3.66031122               0
 C   0.744770765       4.96454716      -3.82783747               0
 H   0.864327669       5.00987625      -4.91244173               0
 C   0.601445198       2.39779139      -5.32677364               0
 H   0.753176212       3.30977869      -5.90835428               0
 C   0.459866285       1.20394790      -6.01367331               0
 H   0.497803926       1.19495332      -7.10834551               0
 H    7.39700794E-02  -1.24273360      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.53935695     out: a-111-Gph-Rlx|gnp-3.80-1.95-1.49.out                        
 H   0.126653433       3.69135475       10.0460072               0
 C   0.190006495       3.70428157       8.95296478               0
 H   0.299451351       1.56060839       8.83245564               0
 C   0.302618742       2.49094296       8.25990391               0
 H   0.930878639      -5.47549725E-02   7.83856773               0
 C   0.743134737      -2.65514851E-02   6.76251221               0
 H   0.923618793      -2.14517570       6.61586475               0
 C   0.736693621      -1.22021890       6.06411552               0
 H   0.338272572      -3.80513740       5.69822979               0
 C   0.273946524      -3.75835872       4.60894299               0
 H    3.82041931E-02  -5.90003586       4.44726372               0
 C    9.84628201E-02  -4.95403385       3.89882135               0
 H    8.11665058E-02   5.85113430       8.81680584               0
 C   0.155719042       4.90552711       8.27013493               0
 C   0.213537931       4.92786217       6.85062218               0
 C   0.393262863       2.45290971       6.86164570               0
 C   0.324199200       3.68122935       6.13836288               0
 C   0.519043207       1.20460105       6.12267780               0
 C   0.422876596       1.21109891       4.70182991               0
 C   0.494475126      -1.26320934       4.67986202               0
 C   0.401586056      -2.53955126E-02   3.97988391               0
 C   0.336016417      -2.51828265       3.95671129               0
 C   0.193868399      -2.48669314       2.53683376               0
 C   -1.18653774E-02  -4.94333553       2.52100325               0
 C    3.02541256E-02  -3.71719623       1.80592656               0
 H  -0.144843817      -5.87695980       1.96574104               0
 H    7.28285313E-02   7.07474041       6.67639542               0
 C   0.167023897       6.13209248       6.12662506               0
 C   0.245774031       6.16013908       4.72573996               0
 C   0.349051237       3.68542361       4.71489096               0
 C   0.325236559       4.91397667       4.00492477               0
 C   0.365932226       2.44979262       3.99160862               0
 C   0.343162775       2.45648956       2.57433057               0
 C   0.293461800      -1.15367174E-02   2.55469704               0
 C   0.294241190       1.22084260       1.85353899               0
 C   0.201154470      -1.24712682       1.83560050               0
 C    9.45799351E-02  -1.23068309      0.420400977               0
 C   -9.53748226E-02  -3.67562747      0.406273961               0
 C   -5.83951473E-02  -2.46773124     -0.305360317               0
 H  -0.215141535      -4.61521053     -0.143996835               0
 H   0.187871218       8.31790733       4.54375076               0
 C   0.247418404       7.37160110       3.99490690               0
 C   0.342069149       7.39615726       2.60591865               0
 C   0.373768806       4.92321730       2.58475685               0
 C   0.405343056       6.15542889       1.87868321               0
 C   0.378226995       3.69090796       1.85994625               0
 C   0.416617155       3.69688535      0.440025330               0
 C   0.257489443       1.23473620      0.427374244               0
 C   0.348702669       2.46322250     -0.280238390               0
 C   0.144425154       7.98344612E-04 -0.286957264               0
 C   0.100361109       7.76815414E-03  -1.70681429               0
 C  -0.160967588      -2.42470813      -1.71566987               0
 C   -6.36026859E-02  -1.23008108      -2.42398977               0
 H  -0.295456171      -3.36340404      -2.26436114               0
 H   0.317070246       9.56723118       2.42194033               0
 C   0.378290176       8.62494087       1.86692667               0
 C   0.493310213       8.62802124      0.506629229               0
 C   0.500062466       6.16260624      0.460558534               0
 C   0.568692207       7.40701675     -0.236093044               0
 C   0.511142969       4.93156052     -0.270091057               0
 C   0.607642412       4.94488049      -1.69473791               0
 C   0.373019457       2.46814728      -1.70770812               0
 C   0.537258625       3.69090581      -2.42685223               0
 C   0.237798452       1.23128402      -2.41688347               0
 C   0.253721476       1.21945596      -3.84508967               0
 C   -9.64510441E-02  -1.19289756      -3.85716558               0
 C    7.12339878E-02  -2.06562281E-02  -4.53694916               0
 H  -0.245992422      -2.13489604      -4.39575386               0
 H   0.524770737       9.57528973      -4.30240631E-02           0
 C   0.717177153       7.38655472      -1.63435650               0
 H   0.802175999       8.33768368      -2.17031121               0
 C   0.744770765       6.19454670      -2.33783746               0
 H   0.864327669       6.23987579      -3.42244172               0
 C   0.601445198       3.62779140      -3.83677363               0
 H   0.753176212       4.53977871      -4.41835403               0
 C   0.459866285       2.43394804      -4.52367306               0
 H   0.497803926       2.42495346      -5.61834526               0
 H    7.39700794E-02  -1.27335787E-02  -5.63312721               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -1.12394416     out: a-111-Gph-Rlx|gnp-3.80-5.65-0.00.out                        
 H   0.126653433       7.39135456       8.55600739               0
 C   0.190006495       7.40428162       7.46296453               0
 H   0.299451351       5.26060820       7.34245539               0
 C   0.302618742       6.19094324       6.76990414               0
 H   0.930878639       3.64524508       6.34856796               0
 C   0.743134737       3.67344856       5.27251244               0
 H   0.923618793       1.55482435       5.12586451               0
 C   0.736693621       2.47978115       4.57411528               0
 H   0.338272572     -0.105137348       4.20823002               0
 C   0.273946524      -5.83586693E-02   3.11894274               0
 H    3.82041931E-02  -2.20003557       2.95726395               0
 C    9.84628201E-02  -1.25403357       2.40882134               0
 H    8.11665058E-02   9.55113411       7.32680559               0
 C   0.155719042       8.60552788       6.78013468               0
 C   0.213537931       8.62786293       5.36062193               0
 C   0.393262863       6.15290976       5.37164545               0
 C   0.324199200       7.38122940       4.64836311               0
 C   0.519043207       4.90460110       4.63267756               0
 C   0.422876596       4.91109896       3.21183014               0
 C   0.494475126       2.43679070       3.18986225               0
 C   0.401586056       3.67460442       2.48988390               0
 C   0.336016417       1.18171740       2.46671128               0
 C   0.193868399       1.21330690       1.04683387               0
 C   -1.18653774E-02  -1.24333525       1.03100312               0
 C    3.02541256E-02  -1.71961784E-02  0.315926582               0
 H  -0.144843817      -2.17695951      0.475740999               0
 H    7.28285313E-02   10.7747402       5.18639517               0
 C   0.167023897       9.83209229       4.63662529               0
 C   0.245774031       9.86013985       3.23573995               0
 C   0.349051237       7.38542366       3.22489095               0
 C   0.325236559       8.61397648       2.51492476               0
 C   0.365932226       6.14979267       2.50160861               0
 C   0.343162775       6.15648937       1.08433056               0
 C   0.293461800       3.68846321       1.06469715               0
 C   0.294241190       4.92084265      0.363539040               0
 C   0.201154470       2.45287323      0.345600486               0
 C    9.45799351E-02   2.46931696      -1.06959903               0
 C   -9.53748226E-02   2.43725777E-02  -1.08372605               0
 C   -5.83951473E-02   1.23226881      -1.79536033               0
 H  -0.215141535     -0.915210247      -1.63399684               0
 H   0.187871218       12.0179081       3.05375099               0
 C   0.247418404       11.0716019       2.50490689               0
 C   0.342069149       11.0961571       1.11591864               0
 C   0.373768806       8.62321758       1.09475696               0
 C   0.405343056       9.85542870      0.388683170               0
 C   0.378226995       7.39090824      0.369946212               0
 C   0.416617155       7.39688540      -1.04997468               0
 C   0.257489443       4.93473625      -1.06262577               0
 C   0.348702669       6.16322231      -1.77023840               0
 C   0.144425154       3.70079851      -1.77695727               0
 C   0.100361109       3.70776820      -3.19681430               0
 C  -0.160967588       1.27529192      -3.20566988               0
 C   -6.36026859E-02   2.46991897      -3.91398978               0
 H  -0.295456171      0.336596012      -3.75436115               0
 H   0.317070246       13.2672310      0.931940317               0
 C   0.378290176       12.3249416      0.376926661               0
 C   0.493310213       12.3280220     -0.983370781               0
 C   0.500062466       9.86260605      -1.02944148               0
 C   0.568692207       11.1070175      -1.72609305               0
 C   0.511142969       8.63156033      -1.76009107               0
 C   0.607642412       8.64488029      -3.18473792               0
 C   0.373019457       6.16814756      -3.19770813               0
 C   0.537258625       7.39090586      -3.91685224               0
 C   0.237798452       4.93128395      -3.90688348               0
 C   0.253721476       4.91945601      -5.33508968               0
 C   -9.64510441E-02   2.50710249      -5.34716558               0
 C    7.12339878E-02   3.67934370      -6.02694893               0
 H  -0.245992422       1.56510401      -5.88575411               0
 H   0.524770737       13.2752895      -1.53302407               0
 C   0.717177153       11.0865555      -3.12435651               0
 H   0.802175999       12.0376835      -3.66031122               0
 C   0.744770765       9.89454651      -3.82783747               0
 H   0.864327669       9.93987656      -4.91244173               0
 C   0.601445198       7.32779121      -5.32677364               0
 H   0.753176212       8.23977852      -5.90835428               0
 C   0.459866285       6.13394785      -6.01367331               0
 H   0.497803926       6.12495327      -7.10834551               0
 H    7.39700794E-02   3.68726635      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.881441891     out: a-111-Gph-Rlx|gnp-4.40-0.72-0.00.out                        
 H   0.726653576       2.46135473       8.55600739               0
 C   0.790006638       2.47428155       7.46296453               0
 H   0.899451494      0.330608308       7.34245539               0
 C   0.902618885       1.26094294       6.76990414               0
 H    1.53087878      -1.28475499       6.34856796               0
 C    1.34313488      -1.25655150       5.27251244               0
 H    1.52361894      -3.37517571       5.12586451               0
 C    1.33669376      -2.45021892       4.57411528               0
 H   0.938272715      -5.03513718       4.20823002               0
 C   0.873946667      -4.98835850       3.11894274               0
 H   0.638204336      -7.13003540       2.95726395               0
 C   0.698462963      -6.18403339       2.40882134               0
 H   0.681166649       4.62113428       7.32680559               0
 C   0.755719185       3.67552733       6.78013468               0
 C   0.813538074       3.69786239       5.36062193               0
 C   0.993263006       1.22290969       5.37164545               0
 C   0.924199343       2.45122933       4.64836311               0
 C    1.11904335      -2.53989100E-02   4.63267756               0
 C    1.02287674      -1.89011097E-02   3.21183014               0
 C    1.09447527      -2.49320936       3.18986225               0
 C    1.00158620      -1.25539553       2.48988390               0
 C   0.936016560      -3.74828267       2.46671128               0
 C   0.793868542      -3.71669316       1.04683387               0
 C   0.588134766      -6.17333508       1.03100312               0
 C   0.630254269      -4.94719601      0.315926582               0
 H   0.455156326      -7.10695934      0.475740999               0
 H   0.672828674       5.84474087       5.18639517               0
 C   0.767024040       4.90209293       4.63662529               0
 C   0.845774174       4.93013954       3.23573995               0
 C   0.949051380       2.45542359       3.22489095               0
 C   0.925236702       3.68397665       2.51492476               0
 C   0.965932369       1.21979260       2.50160861               0
 C   0.943162918       1.22648954       1.08433056               0
 C   0.893461943      -1.24153674       1.06469715               0
 C   0.894241333      -9.15735960E-03  0.363539040               0
 C   0.801154613      -2.47712684      0.345600486               0
 C   0.694580078      -2.46068311      -1.06959903               0
 C   0.504625320      -4.90562725      -1.08372605               0
 C   0.541604996      -3.69773126      -1.79536033               0
 H   0.384858608      -5.84521008      -1.63399684               0
 H   0.787871361       7.08790779       3.05375099               0
 C   0.847418547       6.14160156       2.50490689               0
 C   0.942069292       6.16615772       1.11591864               0
 C   0.973768950       3.69321728       1.09475696               0
 C    1.00534320       4.92542934      0.388683170               0
 C   0.978227139       2.46090794      0.369946212               0
 C    1.01661730       2.46688533      -1.04997468               0
 C   0.857489586       4.73618507E-03  -1.06262577               0
 C   0.948702812       1.23322237      -1.77023840               0
 C   0.744425297      -1.22920167      -1.77695727               0
 C   0.700361252      -1.22223186      -3.19681430               0
 C   0.439032555      -3.65470815      -3.20566988               0
 C   0.536397457      -2.46008110      -3.91398978               0
 H   0.304543972      -4.59340382      -3.75436115               0
 H   0.917070389       8.33723164      0.931940317               0
 C   0.978290319       7.39494133      0.376926661               0
 C    1.09331036       7.39802170     -0.983370781               0
 C    1.10006261       4.93260670      -1.02944148               0
 C    1.16869235       6.17701721      -1.72609305               0
 C    1.11114311       3.70156026      -1.76009107               0
 C    1.20764256       3.71488023      -3.18473792               0
 C   0.973019600       1.23814726      -3.19770813               0
 C    1.13725877       2.46090579      -3.91685224               0
 C   0.837798595       1.28400326E-03  -3.90688348               0
 C   0.853721619      -1.05441213E-02  -5.33508968               0
 C   0.503549099      -2.42289758      -5.34716558               0
 C   0.671234131      -1.25065625      -6.02694893               0
 H   0.354007721      -3.36489606      -5.88575411               0
 H    1.12477088       8.34529018      -1.53302407               0
 C    1.31717730       6.15655518      -3.12435651               0
 H    1.40217614       7.10768414      -3.66031122               0
 C    1.34477091       4.96454716      -3.82783747               0
 H    1.46432781       5.00987625      -4.91244173               0
 C    1.20144534       2.39779139      -5.32677364               0
 H    1.35317636       3.30977869      -5.90835428               0
 C    1.05986643       1.20394790      -6.01367331               0
 H    1.09780407       1.19495332      -7.10834551               0
 H   0.673970222      -1.24273360      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.851455986     out: a-111-Gph-Rlx|gnp-4.40-1.95-1.49.out                        
 H   0.726653576       3.69135475       10.0460072               0
 C   0.790006638       3.70428157       8.95296478               0
 H   0.899451494       1.56060839       8.83245564               0
 C   0.902618885       2.49094296       8.25990391               0
 H    1.53087878      -5.47549725E-02   7.83856773               0
 C    1.34313488      -2.65514851E-02   6.76251221               0
 H    1.52361894      -2.14517570       6.61586475               0
 C    1.33669376      -1.22021890       6.06411552               0
 H   0.938272715      -3.80513740       5.69822979               0
 C   0.873946667      -3.75835872       4.60894299               0
 H   0.638204336      -5.90003586       4.44726372               0
 C   0.698462963      -4.95403385       3.89882135               0
 H   0.681166649       5.85113430       8.81680584               0
 C   0.755719185       4.90552711       8.27013493               0
 C   0.813538074       4.92786217       6.85062218               0
 C   0.993263006       2.45290971       6.86164570               0
 C   0.924199343       3.68122935       6.13836288               0
 C    1.11904335       1.20460105       6.12267780               0
 C    1.02287674       1.21109891       4.70182991               0
 C    1.09447527      -1.26320934       4.67986202               0
 C    1.00158620      -2.53955126E-02   3.97988391               0
 C   0.936016560      -2.51828265       3.95671129               0
 C   0.793868542      -2.48669314       2.53683376               0
 C   0.588134766      -4.94333553       2.52100325               0
 C   0.630254269      -3.71719623       1.80592656               0
 H   0.455156326      -5.87695980       1.96574104               0
 H   0.672828674       7.07474041       6.67639542               0
 C   0.767024040       6.13209248       6.12662506               0
 C   0.845774174       6.16013908       4.72573996               0
 C   0.949051380       3.68542361       4.71489096               0
 C   0.925236702       4.91397667       4.00492477               0
 C   0.965932369       2.44979262       3.99160862               0
 C   0.943162918       2.45648956       2.57433057               0
 C   0.893461943      -1.15367174E-02   2.55469704               0
 C   0.894241333       1.22084260       1.85353899               0
 C   0.801154613      -1.24712682       1.83560050               0
 C   0.694580078      -1.23068309      0.420400977               0
 C   0.504625320      -3.67562747      0.406273961               0
 C   0.541604996      -2.46773124     -0.305360317               0
 H   0.384858608      -4.61521053     -0.143996835               0
 H   0.787871361       8.31790733       4.54375076               0
 C   0.847418547       7.37160110       3.99490690               0
 C   0.942069292       7.39615726       2.60591865               0
 C   0.973768950       4.92321730       2.58475685               0
 C    1.00534320       6.15542889       1.87868321               0
 C   0.978227139       3.69090796       1.85994625               0
 C    1.01661730       3.69688535      0.440025330               0
 C   0.857489586       1.23473620      0.427374244               0
 C   0.948702812       2.46322250     -0.280238390               0
 C   0.744425297       7.98344612E-04 -0.286957264               0
 C   0.700361252       7.76815414E-03  -1.70681429               0
 C   0.439032555      -2.42470813      -1.71566987               0
 C   0.536397457      -1.23008108      -2.42398977               0
 H   0.304543972      -3.36340404      -2.26436114               0
 H   0.917070389       9.56723118       2.42194033               0
 C   0.978290319       8.62494087       1.86692667               0
 C    1.09331036       8.62802124      0.506629229               0
 C    1.10006261       6.16260624      0.460558534               0
 C    1.16869235       7.40701675     -0.236093044               0
 C    1.11114311       4.93156052     -0.270091057               0
 C    1.20764256       4.94488049      -1.69473791               0
 C   0.973019600       2.46814728      -1.70770812               0
 C    1.13725877       3.69090581      -2.42685223               0
 C   0.837798595       1.23128402      -2.41688347               0
 C   0.853721619       1.21945596      -3.84508967               0
 C   0.503549099      -1.19289756      -3.85716558               0
 C   0.671234131      -2.06562281E-02  -4.53694916               0
 H   0.354007721      -2.13489604      -4.39575386               0
 H    1.12477088       9.57528973      -4.30240631E-02           0
 C    1.31717730       7.38655472      -1.63435650               0
 H    1.40217614       8.33768368      -2.17031121               0
 C    1.34477091       6.19454670      -2.33783746               0
 H    1.46432781       6.23987579      -3.42244172               0
 C    1.20144534       3.62779140      -3.83677363               0
 H    1.35317636       4.53977871      -4.41835403               0
 C    1.05986643       2.43394804      -4.52367306               0
 H    1.09780407       2.42495346      -5.61834526               0
 H   0.673970222      -1.27335787E-02  -5.63312721               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.601382315     out: a-111-Gph-Rlx|gnp-4.40-5.65-0.00.out                        
 H   0.726653576       7.39135456       8.55600739               0
 C   0.790006638       7.40428162       7.46296453               0
 H   0.899451494       5.26060820       7.34245539               0
 C   0.902618885       6.19094324       6.76990414               0
 H    1.53087878       3.64524508       6.34856796               0
 C    1.34313488       3.67344856       5.27251244               0
 H    1.52361894       1.55482435       5.12586451               0
 C    1.33669376       2.47978115       4.57411528               0
 H   0.938272715     -0.105137348       4.20823002               0
 C   0.873946667      -5.83586693E-02   3.11894274               0
 H   0.638204336      -2.20003557       2.95726395               0
 C   0.698462963      -1.25403357       2.40882134               0
 H   0.681166649       9.55113411       7.32680559               0
 C   0.755719185       8.60552788       6.78013468               0
 C   0.813538074       8.62786293       5.36062193               0
 C   0.993263006       6.15290976       5.37164545               0
 C   0.924199343       7.38122940       4.64836311               0
 C    1.11904335       4.90460110       4.63267756               0
 C    1.02287674       4.91109896       3.21183014               0
 C    1.09447527       2.43679070       3.18986225               0
 C    1.00158620       3.67460442       2.48988390               0
 C   0.936016560       1.18171740       2.46671128               0
 C   0.793868542       1.21330690       1.04683387               0
 C   0.588134766      -1.24333525       1.03100312               0
 C   0.630254269      -1.71961784E-02  0.315926582               0
 H   0.455156326      -2.17695951      0.475740999               0
 H   0.672828674       10.7747402       5.18639517               0
 C   0.767024040       9.83209229       4.63662529               0
 C   0.845774174       9.86013985       3.23573995               0
 C   0.949051380       7.38542366       3.22489095               0
 C   0.925236702       8.61397648       2.51492476               0
 C   0.965932369       6.14979267       2.50160861               0
 C   0.943162918       6.15648937       1.08433056               0
 C   0.893461943       3.68846321       1.06469715               0
 C   0.894241333       4.92084265      0.363539040               0
 C   0.801154613       2.45287323      0.345600486               0
 C   0.694580078       2.46931696      -1.06959903               0
 C   0.504625320       2.43725777E-02  -1.08372605               0
 C   0.541604996       1.23226881      -1.79536033               0
 H   0.384858608     -0.915210247      -1.63399684               0
 H   0.787871361       12.0179081       3.05375099               0
 C   0.847418547       11.0716019       2.50490689               0
 C   0.942069292       11.0961571       1.11591864               0
 C   0.973768950       8.62321758       1.09475696               0
 C    1.00534320       9.85542870      0.388683170               0
 C   0.978227139       7.39090824      0.369946212               0
 C    1.01661730       7.39688540      -1.04997468               0
 C   0.857489586       4.93473625      -1.06262577               0
 C   0.948702812       6.16322231      -1.77023840               0
 C   0.744425297       3.70079851      -1.77695727               0
 C   0.700361252       3.70776820      -3.19681430               0
 C   0.439032555       1.27529192      -3.20566988               0
 C   0.536397457       2.46991897      -3.91398978               0
 H   0.304543972      0.336596012      -3.75436115               0
 H   0.917070389       13.2672310      0.931940317               0
 C   0.978290319       12.3249416      0.376926661               0
 C    1.09331036       12.3280220     -0.983370781               0
 C    1.10006261       9.86260605      -1.02944148               0
 C    1.16869235       11.1070175      -1.72609305               0
 C    1.11114311       8.63156033      -1.76009107               0
 C    1.20764256       8.64488029      -3.18473792               0
 C   0.973019600       6.16814756      -3.19770813               0
 C    1.13725877       7.39090586      -3.91685224               0
 C   0.837798595       4.93128395      -3.90688348               0
 C   0.853721619       4.91945601      -5.33508968               0
 C   0.503549099       2.50710249      -5.34716558               0
 C   0.671234131       3.67934370      -6.02694893               0
 H   0.354007721       1.56510401      -5.88575411               0
 H    1.12477088       13.2752895      -1.53302407               0
 C    1.31717730       11.0865555      -3.12435651               0
 H    1.40217614       12.0376835      -3.66031122               0
 C    1.34477091       9.89454651      -3.82783747               0
 H    1.46432781       9.93987656      -4.91244173               0
 C    1.20144534       7.32779121      -5.32677364               0
 H    1.35317636       8.23977852      -5.90835428               0
 C    1.05986643       6.13394785      -6.01367331               0
 H    1.09780407       6.12495327      -7.10834551               0
 H   0.673970222       3.68726635      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.383275658     out: a-111-Gph-Rlx|gnp-5.00-0.72-0.00.out                        
 H    1.32665348       2.46135473       8.55600739               0
 C    1.39000654       2.47428155       7.46296453               0
 H    1.49945140      0.330608308       7.34245539               0
 C    1.50261879       1.26094294       6.76990414               0
 H    2.13087869      -1.28475499       6.34856796               0
 C    1.94313478      -1.25655150       5.27251244               0
 H    2.12361884      -3.37517571       5.12586451               0
 C    1.93669367      -2.45021892       4.57411528               0
 H    1.53827262      -5.03513718       4.20823002               0
 C    1.47394657      -4.98835850       3.11894274               0
 H    1.23820424      -7.13003540       2.95726395               0
 C    1.29846287      -6.18403339       2.40882134               0
 H    1.28116655       4.62113428       7.32680559               0
 C    1.35571909       3.67552733       6.78013468               0
 C    1.41353798       3.69786239       5.36062193               0
 C    1.59326291       1.22290969       5.37164545               0
 C    1.52419925       2.45122933       4.64836311               0
 C    1.71904325      -2.53989100E-02   4.63267756               0
 C    1.62287664      -1.89011097E-02   3.21183014               0
 C    1.69447517      -2.49320936       3.18986225               0
 C    1.60158610      -1.25539553       2.48988390               0
 C    1.53601646      -3.74828267       2.46671128               0
 C    1.39386845      -3.71669316       1.04683387               0
 C    1.18813467      -6.17333508       1.03100312               0
 C    1.23025417      -4.94719601      0.315926582               0
 H    1.05515623      -7.10695934      0.475740999               0
 H    1.27282858       5.84474087       5.18639517               0
 C    1.36702394       4.90209293       4.63662529               0
 C    1.44577408       4.93013954       3.23573995               0
 C    1.54905128       2.45542359       3.22489095               0
 C    1.52523661       3.68397665       2.51492476               0
 C    1.56593227       1.21979260       2.50160861               0
 C    1.54316282       1.22648954       1.08433056               0
 C    1.49346185      -1.24153674       1.06469715               0
 C    1.49424124      -9.15735960E-03  0.363539040               0
 C    1.40115452      -2.47712684      0.345600486               0
 C    1.29457998      -2.46068311      -1.06959903               0
 C    1.10462523      -4.90562725      -1.08372605               0
 C    1.14160490      -3.69773126      -1.79536033               0
 H   0.984858513      -5.84521008      -1.63399684               0
 H    1.38787127       7.08790779       3.05375099               0
 C    1.44741845       6.14160156       2.50490689               0
 C    1.54206920       6.16615772       1.11591864               0
 C    1.57376885       3.69321728       1.09475696               0
 C    1.60534310       4.92542934      0.388683170               0
 C    1.57822704       2.46090794      0.369946212               0
 C    1.61661720       2.46688533      -1.04997468               0
 C    1.45748949       4.73618507E-03  -1.06262577               0
 C    1.54870272       1.23322237      -1.77023840               0
 C    1.34442520      -1.22920167      -1.77695727               0
 C    1.30036116      -1.22223186      -3.19681430               0
 C    1.03903246      -3.65470815      -3.20566988               0
 C    1.13639736      -2.46008110      -3.91398978               0
 H   0.904543877      -4.59340382      -3.75436115               0
 H    1.51707029       8.33723164      0.931940317               0
 C    1.57829022       7.39494133      0.376926661               0
 C    1.69331026       7.39802170     -0.983370781               0
 C    1.70006251       4.93260670      -1.02944148               0
 C    1.76869226       6.17701721      -1.72609305               0
 C    1.71114302       3.70156026      -1.76009107               0
 C    1.80764246       3.71488023      -3.18473792               0
 C    1.57301950       1.23814726      -3.19770813               0
 C    1.73725867       2.46090579      -3.91685224               0
 C    1.43779850       1.28400326E-03  -3.90688348               0
 C    1.45372152      -1.05441213E-02  -5.33508968               0
 C    1.10354900      -2.42289758      -5.34716558               0
 C    1.27123404      -1.25065625      -6.02694893               0
 H   0.954007626      -3.36489606      -5.88575411               0
 H    1.72477078       8.34529018      -1.53302407               0
 C    1.91717720       6.15655518      -3.12435651               0
 H    2.00217605       7.10768414      -3.66031122               0
 C    1.94477081       4.96454716      -3.82783747               0
 H    2.06432772       5.00987625      -4.91244173               0
 C    1.80144525       2.39779139      -5.32677364               0
 H    1.95317626       3.30977869      -5.90835428               0
 C    1.65986633       1.20394790      -6.01367331               0
 H    1.69780397       1.19495332      -7.10834551               0
 H    1.27397013      -1.24273360      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.372583061     out: a-111-Gph-Rlx|gnp-5.00-1.95-1.49.out                        
 H    1.32665348       3.69135475       10.0460072               0
 C    1.39000654       3.70428157       8.95296478               0
 H    1.49945140       1.56060839       8.83245564               0
 C    1.50261879       2.49094296       8.25990391               0
 H    2.13087869      -5.47549725E-02   7.83856773               0
 C    1.94313478      -2.65514851E-02   6.76251221               0
 H    2.12361884      -2.14517570       6.61586475               0
 C    1.93669367      -1.22021890       6.06411552               0
 H    1.53827262      -3.80513740       5.69822979               0
 C    1.47394657      -3.75835872       4.60894299               0
 H    1.23820424      -5.90003586       4.44726372               0
 C    1.29846287      -4.95403385       3.89882135               0
 H    1.28116655       5.85113430       8.81680584               0
 C    1.35571909       4.90552711       8.27013493               0
 C    1.41353798       4.92786217       6.85062218               0
 C    1.59326291       2.45290971       6.86164570               0
 C    1.52419925       3.68122935       6.13836288               0
 C    1.71904325       1.20460105       6.12267780               0
 C    1.62287664       1.21109891       4.70182991               0
 C    1.69447517      -1.26320934       4.67986202               0
 C    1.60158610      -2.53955126E-02   3.97988391               0
 C    1.53601646      -2.51828265       3.95671129               0
 C    1.39386845      -2.48669314       2.53683376               0
 C    1.18813467      -4.94333553       2.52100325               0
 C    1.23025417      -3.71719623       1.80592656               0
 H    1.05515623      -5.87695980       1.96574104               0
 H    1.27282858       7.07474041       6.67639542               0
 C    1.36702394       6.13209248       6.12662506               0
 C    1.44577408       6.16013908       4.72573996               0
 C    1.54905128       3.68542361       4.71489096               0
 C    1.52523661       4.91397667       4.00492477               0
 C    1.56593227       2.44979262       3.99160862               0
 C    1.54316282       2.45648956       2.57433057               0
 C    1.49346185      -1.15367174E-02   2.55469704               0
 C    1.49424124       1.22084260       1.85353899               0
 C    1.40115452      -1.24712682       1.83560050               0
 C    1.29457998      -1.23068309      0.420400977               0
 C    1.10462523      -3.67562747      0.406273961               0
 C    1.14160490      -2.46773124     -0.305360317               0
 H   0.984858513      -4.61521053     -0.143996835               0
 H    1.38787127       8.31790733       4.54375076               0
 C    1.44741845       7.37160110       3.99490690               0
 C    1.54206920       7.39615726       2.60591865               0
 C    1.57376885       4.92321730       2.58475685               0
 C    1.60534310       6.15542889       1.87868321               0
 C    1.57822704       3.69090796       1.85994625               0
 C    1.61661720       3.69688535      0.440025330               0
 C    1.45748949       1.23473620      0.427374244               0
 C    1.54870272       2.46322250     -0.280238390               0
 C    1.34442520       7.98344612E-04 -0.286957264               0
 C    1.30036116       7.76815414E-03  -1.70681429               0
 C    1.03903246      -2.42470813      -1.71566987               0
 C    1.13639736      -1.23008108      -2.42398977               0
 H   0.904543877      -3.36340404      -2.26436114               0
 H    1.51707029       9.56723118       2.42194033               0
 C    1.57829022       8.62494087       1.86692667               0
 C    1.69331026       8.62802124      0.506629229               0
 C    1.70006251       6.16260624      0.460558534               0
 C    1.76869226       7.40701675     -0.236093044               0
 C    1.71114302       4.93156052     -0.270091057               0
 C    1.80764246       4.94488049      -1.69473791               0
 C    1.57301950       2.46814728      -1.70770812               0
 C    1.73725867       3.69090581      -2.42685223               0
 C    1.43779850       1.23128402      -2.41688347               0
 C    1.45372152       1.21945596      -3.84508967               0
 C    1.10354900      -1.19289756      -3.85716558               0
 C    1.27123404      -2.06562281E-02  -4.53694916               0
 H   0.954007626      -2.13489604      -4.39575386               0
 H    1.72477078       9.57528973      -4.30240631E-02           0
 C    1.91717720       7.38655472      -1.63435650               0
 H    2.00217605       8.33768368      -2.17031121               0
 C    1.94477081       6.19454670      -2.33783746               0
 H    2.06432772       6.23987579      -3.42244172               0
 C    1.80144525       3.62779140      -3.83677363               0
 H    1.95317626       4.53977871      -4.41835403               0
 C    1.65986633       2.43394804      -4.52367306               0
 H    1.69780397       2.42495346      -5.61834526               0
 H    1.27397013      -1.27335787E-02  -5.63312721               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead: -0.241100177     out: a-111-Gph-Rlx|gnp-5.00-5.65-0.00.out                        
 H    1.32665348       7.39135456       8.55600739               0
 C    1.39000654       7.40428162       7.46296453               0
 H    1.49945140       5.26060820       7.34245539               0
 C    1.50261879       6.19094324       6.76990414               0
 H    2.13087869       3.64524508       6.34856796               0
 C    1.94313478       3.67344856       5.27251244               0
 H    2.12361884       1.55482435       5.12586451               0
 C    1.93669367       2.47978115       4.57411528               0
 H    1.53827262     -0.105137348       4.20823002               0
 C    1.47394657      -5.83586693E-02   3.11894274               0
 H    1.23820424      -2.20003557       2.95726395               0
 C    1.29846287      -1.25403357       2.40882134               0
 H    1.28116655       9.55113411       7.32680559               0
 C    1.35571909       8.60552788       6.78013468               0
 C    1.41353798       8.62786293       5.36062193               0
 C    1.59326291       6.15290976       5.37164545               0
 C    1.52419925       7.38122940       4.64836311               0
 C    1.71904325       4.90460110       4.63267756               0
 C    1.62287664       4.91109896       3.21183014               0
 C    1.69447517       2.43679070       3.18986225               0
 C    1.60158610       3.67460442       2.48988390               0
 C    1.53601646       1.18171740       2.46671128               0
 C    1.39386845       1.21330690       1.04683387               0
 C    1.18813467      -1.24333525       1.03100312               0
 C    1.23025417      -1.71961784E-02  0.315926582               0
 H    1.05515623      -2.17695951      0.475740999               0
 H    1.27282858       10.7747402       5.18639517               0
 C    1.36702394       9.83209229       4.63662529               0
 C    1.44577408       9.86013985       3.23573995               0
 C    1.54905128       7.38542366       3.22489095               0
 C    1.52523661       8.61397648       2.51492476               0
 C    1.56593227       6.14979267       2.50160861               0
 C    1.54316282       6.15648937       1.08433056               0
 C    1.49346185       3.68846321       1.06469715               0
 C    1.49424124       4.92084265      0.363539040               0
 C    1.40115452       2.45287323      0.345600486               0
 C    1.29457998       2.46931696      -1.06959903               0
 C    1.10462523       2.43725777E-02  -1.08372605               0
 C    1.14160490       1.23226881      -1.79536033               0
 H   0.984858513     -0.915210247      -1.63399684               0
 H    1.38787127       12.0179081       3.05375099               0
 C    1.44741845       11.0716019       2.50490689               0
 C    1.54206920       11.0961571       1.11591864               0
 C    1.57376885       8.62321758       1.09475696               0
 C    1.60534310       9.85542870      0.388683170               0
 C    1.57822704       7.39090824      0.369946212               0
 C    1.61661720       7.39688540      -1.04997468               0
 C    1.45748949       4.93473625      -1.06262577               0
 C    1.54870272       6.16322231      -1.77023840               0
 C    1.34442520       3.70079851      -1.77695727               0
 C    1.30036116       3.70776820      -3.19681430               0
 C    1.03903246       1.27529192      -3.20566988               0
 C    1.13639736       2.46991897      -3.91398978               0
 H   0.904543877      0.336596012      -3.75436115               0
 H    1.51707029       13.2672310      0.931940317               0
 C    1.57829022       12.3249416      0.376926661               0
 C    1.69331026       12.3280220     -0.983370781               0
 C    1.70006251       9.86260605      -1.02944148               0
 C    1.76869226       11.1070175      -1.72609305               0
 C    1.71114302       8.63156033      -1.76009107               0
 C    1.80764246       8.64488029      -3.18473792               0
 C    1.57301950       6.16814756      -3.19770813               0
 C    1.73725867       7.39090586      -3.91685224               0
 C    1.43779850       4.93128395      -3.90688348               0
 C    1.45372152       4.91945601      -5.33508968               0
 C    1.10354900       2.50710249      -5.34716558               0
 C    1.27123404       3.67934370      -6.02694893               0
 H   0.954007626       1.56510401      -5.88575411               0
 H    1.72477078       13.2752895      -1.53302407               0
 C    1.91717720       11.0865555      -3.12435651               0
 H    2.00217605       12.0376835      -3.66031122               0
 C    1.94477081       9.89454651      -3.82783747               0
 H    2.06432772       9.93987656      -4.91244173               0
 C    1.80144525       7.32779121      -5.32677364               0
 H    1.95317626       8.23977852      -5.90835428               0
 C    1.65986633       6.13394785      -6.01367331               0
 H    1.69780397       6.12495327      -7.10834551               0
 H    1.27397013       3.68726635      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:   0.00000000     out: a-111-Gph-Rlx|gnp-6.00-0.72-0.00.out                        
 H    2.32665348       2.46135473       8.55600739               0
 C    2.39000654       2.47428155       7.46296453               0
 H    2.49945140      0.330608308       7.34245539               0
 C    2.50261879       1.26094294       6.76990414               0
 H    3.13087869      -1.28475499       6.34856796               0
 C    2.94313478      -1.25655150       5.27251244               0
 H    3.12361884      -3.37517571       5.12586451               0
 C    2.93669367      -2.45021892       4.57411528               0
 H    2.53827262      -5.03513718       4.20823002               0
 C    2.47394657      -4.98835850       3.11894274               0
 H    2.23820424      -7.13003540       2.95726395               0
 C    2.29846287      -6.18403339       2.40882134               0
 H    2.28116655       4.62113428       7.32680559               0
 C    2.35571909       3.67552733       6.78013468               0
 C    2.41353798       3.69786239       5.36062193               0
 C    2.59326291       1.22290969       5.37164545               0
 C    2.52419925       2.45122933       4.64836311               0
 C    2.71904325      -2.53989100E-02   4.63267756               0
 C    2.62287664      -1.89011097E-02   3.21183014               0
 C    2.69447517      -2.49320936       3.18986225               0
 C    2.60158610      -1.25539553       2.48988390               0
 C    2.53601646      -3.74828267       2.46671128               0
 C    2.39386845      -3.71669316       1.04683387               0
 C    2.18813467      -6.17333508       1.03100312               0
 C    2.23025417      -4.94719601      0.315926582               0
 H    2.05515623      -7.10695934      0.475740999               0
 H    2.27282858       5.84474087       5.18639517               0
 C    2.36702394       4.90209293       4.63662529               0
 C    2.44577408       4.93013954       3.23573995               0
 C    2.54905128       2.45542359       3.22489095               0
 C    2.52523661       3.68397665       2.51492476               0
 C    2.56593227       1.21979260       2.50160861               0
 C    2.54316282       1.22648954       1.08433056               0
 C    2.49346185      -1.24153674       1.06469715               0
 C    2.49424124      -9.15735960E-03  0.363539040               0
 C    2.40115452      -2.47712684      0.345600486               0
 C    2.29457998      -2.46068311      -1.06959903               0
 C    2.10462523      -4.90562725      -1.08372605               0
 C    2.14160490      -3.69773126      -1.79536033               0
 H    1.98485851      -5.84521008      -1.63399684               0
 H    2.38787127       7.08790779       3.05375099               0
 C    2.44741845       6.14160156       2.50490689               0
 C    2.54206920       6.16615772       1.11591864               0
 C    2.57376885       3.69321728       1.09475696               0
 C    2.60534310       4.92542934      0.388683170               0
 C    2.57822704       2.46090794      0.369946212               0
 C    2.61661720       2.46688533      -1.04997468               0
 C    2.45748949       4.73618507E-03  -1.06262577               0
 C    2.54870272       1.23322237      -1.77023840               0
 C    2.34442520      -1.22920167      -1.77695727               0
 C    2.30036116      -1.22223186      -3.19681430               0
 C    2.03903246      -3.65470815      -3.20566988               0
 C    2.13639736      -2.46008110      -3.91398978               0
 H    1.90454388      -4.59340382      -3.75436115               0
 H    2.51707029       8.33723164      0.931940317               0
 C    2.57829022       7.39494133      0.376926661               0
 C    2.69331026       7.39802170     -0.983370781               0
 C    2.70006251       4.93260670      -1.02944148               0
 C    2.76869226       6.17701721      -1.72609305               0
 C    2.71114302       3.70156026      -1.76009107               0
 C    2.80764246       3.71488023      -3.18473792               0
 C    2.57301950       1.23814726      -3.19770813               0
 C    2.73725867       2.46090579      -3.91685224               0
 C    2.43779850       1.28400326E-03  -3.90688348               0
 C    2.45372152      -1.05441213E-02  -5.33508968               0
 C    2.10354900      -2.42289758      -5.34716558               0
 C    2.27123404      -1.25065625      -6.02694893               0
 H    1.95400763      -3.36489606      -5.88575411               0
 H    2.72477078       8.34529018      -1.53302407               0
 C    2.91717720       6.15655518      -3.12435651               0
 H    3.00217605       7.10768414      -3.66031122               0
 C    2.94477081       4.96454716      -3.82783747               0
 H    3.06432772       5.00987625      -4.91244173               0
 C    2.80144525       2.39779139      -5.32677364               0
 H    2.95317626       3.30977869      -5.90835428               0
 C    2.65986633       1.20394790      -6.01367331               0
 H    2.69780397       1.19495332      -7.10834551               0
 H    2.27397013      -1.24273360      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:   2.99706310E-03 out: a-111-Gph-Rlx|gnp-6.00-1.95-1.49.out                        
 H    2.32665348       3.69135475       10.0460072               0
 C    2.39000654       3.70428157       8.95296478               0
 H    2.49945140       1.56060839       8.83245564               0
 C    2.50261879       2.49094296       8.25990391               0
 H    3.13087869      -5.47549725E-02   7.83856773               0
 C    2.94313478      -2.65514851E-02   6.76251221               0
 H    3.12361884      -2.14517570       6.61586475               0
 C    2.93669367      -1.22021890       6.06411552               0
 H    2.53827262      -3.80513740       5.69822979               0
 C    2.47394657      -3.75835872       4.60894299               0
 H    2.23820424      -5.90003586       4.44726372               0
 C    2.29846287      -4.95403385       3.89882135               0
 H    2.28116655       5.85113430       8.81680584               0
 C    2.35571909       4.90552711       8.27013493               0
 C    2.41353798       4.92786217       6.85062218               0
 C    2.59326291       2.45290971       6.86164570               0
 C    2.52419925       3.68122935       6.13836288               0
 C    2.71904325       1.20460105       6.12267780               0
 C    2.62287664       1.21109891       4.70182991               0
 C    2.69447517      -1.26320934       4.67986202               0
 C    2.60158610      -2.53955126E-02   3.97988391               0
 C    2.53601646      -2.51828265       3.95671129               0
 C    2.39386845      -2.48669314       2.53683376               0
 C    2.18813467      -4.94333553       2.52100325               0
 C    2.23025417      -3.71719623       1.80592656               0
 H    2.05515623      -5.87695980       1.96574104               0
 H    2.27282858       7.07474041       6.67639542               0
 C    2.36702394       6.13209248       6.12662506               0
 C    2.44577408       6.16013908       4.72573996               0
 C    2.54905128       3.68542361       4.71489096               0
 C    2.52523661       4.91397667       4.00492477               0
 C    2.56593227       2.44979262       3.99160862               0
 C    2.54316282       2.45648956       2.57433057               0
 C    2.49346185      -1.15367174E-02   2.55469704               0
 C    2.49424124       1.22084260       1.85353899               0
 C    2.40115452      -1.24712682       1.83560050               0
 C    2.29457998      -1.23068309      0.420400977               0
 C    2.10462523      -3.67562747      0.406273961               0
 C    2.14160490      -2.46773124     -0.305360317               0
 H    1.98485851      -4.61521053     -0.143996835               0
 H    2.38787127       8.31790733       4.54375076               0
 C    2.44741845       7.37160110       3.99490690               0
 C    2.54206920       7.39615726       2.60591865               0
 C    2.57376885       4.92321730       2.58475685               0
 C    2.60534310       6.15542889       1.87868321               0
 C    2.57822704       3.69090796       1.85994625               0
 C    2.61661720       3.69688535      0.440025330               0
 C    2.45748949       1.23473620      0.427374244               0
 C    2.54870272       2.46322250     -0.280238390               0
 C    2.34442520       7.98344612E-04 -0.286957264               0
 C    2.30036116       7.76815414E-03  -1.70681429               0
 C    2.03903246      -2.42470813      -1.71566987               0
 C    2.13639736      -1.23008108      -2.42398977               0
 H    1.90454388      -3.36340404      -2.26436114               0
 H    2.51707029       9.56723118       2.42194033               0
 C    2.57829022       8.62494087       1.86692667               0
 C    2.69331026       8.62802124      0.506629229               0
 C    2.70006251       6.16260624      0.460558534               0
 C    2.76869226       7.40701675     -0.236093044               0
 C    2.71114302       4.93156052     -0.270091057               0
 C    2.80764246       4.94488049      -1.69473791               0
 C    2.57301950       2.46814728      -1.70770812               0
 C    2.73725867       3.69090581      -2.42685223               0
 C    2.43779850       1.23128402      -2.41688347               0
 C    2.45372152       1.21945596      -3.84508967               0
 C    2.10354900      -1.19289756      -3.85716558               0
 C    2.27123404      -2.06562281E-02  -4.53694916               0
 H    1.95400763      -2.13489604      -4.39575386               0
 H    2.72477078       9.57528973      -4.30240631E-02           0
 C    2.91717720       7.38655472      -1.63435650               0
 H    3.00217605       8.33768368      -2.17031121               0
 C    2.94477081       6.19454670      -2.33783746               0
 H    3.06432772       6.23987579      -3.42244172               0
 C    2.80144525       3.62779140      -3.83677363               0
 H    2.95317626       4.53977871      -4.41835403               0
 C    2.65986633       2.43394804      -4.52367306               0
 H    2.69780397       2.42495346      -5.61834526               0
 H    2.27397013      -1.27335787E-02  -5.63312721               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:   4.20058258E-02 out: a-111-Gph-Rlx|gnp-6.00-5.65-0.00.out                        
 H    2.32665348       7.39135456       8.55600739               0
 C    2.39000654       7.40428162       7.46296453               0
 H    2.49945140       5.26060820       7.34245539               0
 C    2.50261879       6.19094324       6.76990414               0
 H    3.13087869       3.64524508       6.34856796               0
 C    2.94313478       3.67344856       5.27251244               0
 H    3.12361884       1.55482435       5.12586451               0
 C    2.93669367       2.47978115       4.57411528               0
 H    2.53827262     -0.105137348       4.20823002               0
 C    2.47394657      -5.83586693E-02   3.11894274               0
 H    2.23820424      -2.20003557       2.95726395               0
 C    2.29846287      -1.25403357       2.40882134               0
 H    2.28116655       9.55113411       7.32680559               0
 C    2.35571909       8.60552788       6.78013468               0
 C    2.41353798       8.62786293       5.36062193               0
 C    2.59326291       6.15290976       5.37164545               0
 C    2.52419925       7.38122940       4.64836311               0
 C    2.71904325       4.90460110       4.63267756               0
 C    2.62287664       4.91109896       3.21183014               0
 C    2.69447517       2.43679070       3.18986225               0
 C    2.60158610       3.67460442       2.48988390               0
 C    2.53601646       1.18171740       2.46671128               0
 C    2.39386845       1.21330690       1.04683387               0
 C    2.18813467      -1.24333525       1.03100312               0
 C    2.23025417      -1.71961784E-02  0.315926582               0
 H    2.05515623      -2.17695951      0.475740999               0
 H    2.27282858       10.7747402       5.18639517               0
 C    2.36702394       9.83209229       4.63662529               0
 C    2.44577408       9.86013985       3.23573995               0
 C    2.54905128       7.38542366       3.22489095               0
 C    2.52523661       8.61397648       2.51492476               0
 C    2.56593227       6.14979267       2.50160861               0
 C    2.54316282       6.15648937       1.08433056               0
 C    2.49346185       3.68846321       1.06469715               0
 C    2.49424124       4.92084265      0.363539040               0
 C    2.40115452       2.45287323      0.345600486               0
 C    2.29457998       2.46931696      -1.06959903               0
 C    2.10462523       2.43725777E-02  -1.08372605               0
 C    2.14160490       1.23226881      -1.79536033               0
 H    1.98485851     -0.915210247      -1.63399684               0
 H    2.38787127       12.0179081       3.05375099               0
 C    2.44741845       11.0716019       2.50490689               0
 C    2.54206920       11.0961571       1.11591864               0
 C    2.57376885       8.62321758       1.09475696               0
 C    2.60534310       9.85542870      0.388683170               0
 C    2.57822704       7.39090824      0.369946212               0
 C    2.61661720       7.39688540      -1.04997468               0
 C    2.45748949       4.93473625      -1.06262577               0
 C    2.54870272       6.16322231      -1.77023840               0
 C    2.34442520       3.70079851      -1.77695727               0
 C    2.30036116       3.70776820      -3.19681430               0
 C    2.03903246       1.27529192      -3.20566988               0
 C    2.13639736       2.46991897      -3.91398978               0
 H    1.90454388      0.336596012      -3.75436115               0
 H    2.51707029       13.2672310      0.931940317               0
 C    2.57829022       12.3249416      0.376926661               0
 C    2.69331026       12.3280220     -0.983370781               0
 C    2.70006251       9.86260605      -1.02944148               0
 C    2.76869226       11.1070175      -1.72609305               0
 C    2.71114302       8.63156033      -1.76009107               0
 C    2.80764246       8.64488029      -3.18473792               0
 C    2.57301950       6.16814756      -3.19770813               0
 C    2.73725867       7.39090586      -3.91685224               0
 C    2.43779850       4.93128395      -3.90688348               0
 C    2.45372152       4.91945601      -5.33508968               0
 C    2.10354900       2.50710249      -5.34716558               0
 C    2.27123404       3.67934370      -6.02694893               0
 H    1.95400763       1.56510401      -5.88575411               0
 H    2.72477078       13.2752895      -1.53302407               0
 C    2.91717720       11.0865555      -3.12435651               0
 H    3.00217605       12.0376835      -3.66031122               0
 C    2.94477081       9.89454651      -3.82783747               0
 H    3.06432772       9.93987656      -4.91244173               0
 C    2.80144525       7.32779121      -5.32677364               0
 H    2.95317626       8.23977852      -5.90835428               0
 C    2.65986633       6.13394785      -6.01367331               0
 H    2.69780397       6.12495327      -7.10834551               0
 H    2.27397013       3.68726635      -7.12312746               0
 Cu  -7.85639334       4.93394518      -5.27015638               4
 Cu  -7.88693380       2.48067307      -5.29676390               6
 Cu  -7.88905001       1.72055066E-02  -5.27744579               6
 Cu  -7.86539555      -2.44477534      -5.24175692               6
 Cu  -7.81126881      -4.89386463      -5.16658306               4
 Cu  -7.87226486       6.18464088      -3.18837261               5
 Cu  -7.92504072       3.74626994      -3.17488694               9
 Cu  -7.90454817       1.26994240      -3.15131879               9
 Cu  -7.89457607      -1.19484186      -3.12287569               9
 Cu  -7.89325953      -3.66875744      -3.09292459               9
 Cu  -7.82106495      -6.10426235      -3.06179881               5
 Cu  -7.75930452       7.40082359      -1.08915484               4
 Cu  -7.87098932       4.99457121      -1.06029546               9
 Cu  -7.83901358       2.52623558      -1.02644074               9
 Cu  -7.82550859       5.63172139E-02  -1.00146937               9
 Cu  -7.76726580      -3.63061094       1.18523765               9
 Cu  -7.81897354      -2.41266942     -0.968576670               9
 Cu  -7.82770586      -4.87941647     -0.953865767               9
 Cu  -7.69029331      -7.28355885     -0.943411052               4
 Cu  -7.73098087       6.23745298       1.06854904               6
 Cu  -7.80043316       3.77873373       1.10033333               9
 Cu  -7.77319145       1.31383145       1.13010073               9
 Cu  -7.76134062      -1.16524518       1.15989137               9
 Cu  -7.67240477      -6.08801126       1.19774508               6
 Cu  -7.68443775       5.02973127       3.22095990               6
 Cu  -7.73554516       2.56315494       3.25029850               9
 Cu  -7.71027374       9.18737501E-02   3.28092694               9
 Cu  -7.71252155      -2.37979841       3.30820537               9
 Cu  -7.63662624      -4.84740925       3.33128428               6
 Cu  -7.60415220       3.80725622       5.36418056               6
 Cu  -7.67767143       1.33912051       5.40542412               9
 Cu  -7.66819572      -1.11855245       5.43405342               9
 Cu  -7.57006550      -3.58759022       5.44861078               6
 Cu  -7.51587248       2.56016612       7.47113609               4
 Cu  -7.57932806      0.132473573       7.51854753               5
 Cu  -7.49510050      -2.29514837       7.52636099               4
 Cu  -5.84814978       3.74749494      -4.68578005               7
 Cu  -5.83734989       1.26668620      -4.73830032               9
 Cu  -5.82656002      -1.20084608      -4.70930338               9
 Cu  -5.81575012      -3.67836905      -4.59861851               7
 Cu  -5.79393005       5.06356239      -2.58014560               8
 Cu  -5.78313017       2.54540062      -2.52259874              12
 Cu  -5.77233982       5.43290898E-02  -2.49042654              12
 Cu  -5.76153994      -2.43344188      -2.46129203              12
 Cu  -5.75073004      -4.95318747      -2.46951890               8
 Cu  -5.73971987       6.27983522     -0.413369507               7
 Cu  -5.72891998       3.81128812     -0.383353144              12
 Cu  -5.71812010       1.32679808     -0.353469998              12
 Cu  -5.70732021      -1.17240453     -0.322541565              12
 Cu  -5.69651985      -3.65571523     -0.296730250              12
 Cu  -5.68572998      -6.12379313     -0.279849470               7
 Cu  -5.67468977       5.14297676       1.80380297               9
 Cu  -5.66389990       2.58941960       1.79132223              12
 Cu  -5.65310001       9.84153673E-02   1.82540679              12
 Cu  -5.64230013      -2.39269710       1.84886479              12
 Cu  -5.63149977      -4.94650459       1.91554821               9
 Cu  -5.60969019       3.92871761       3.96264839               9
 Cu  -5.59888983       1.36137795       3.96255279              12
 Cu  -5.58809996      -1.12512887       3.99340081              12
 Cu  -5.57730007      -3.68761706       4.04461765               9
 Cu  -5.54466009       2.61794019       6.08545160               7
 Cu  -5.53386021      0.131923094       6.17711830               8
 Cu  -5.52306986      -2.35531235       6.14226675               7
 Cu  -3.83549237       2.51147056      -3.96463561               6
 Cu  -3.79445457       5.11130355E-02  -3.94955444               7
 Cu  -3.81505561      -2.41063714      -3.90662408               6
 Cu  -3.75151896       3.80336452      -1.86635935               7
 Cu  -3.62123799       1.31107914      -1.81947410               9
 Cu  -3.60300255      -1.15886748      -1.78719985               9
 Cu  -3.71974277      -3.65792656      -1.77749264               7
 Cu  -3.73038769       5.02750778      0.274593383               6
 Cu  -3.56532073       2.56670713      0.297893286               9
 Cu  -3.60468864       9.89011824E-02  0.333631516               9
 Cu  -3.53883719      -2.36677599      0.362191200               9
 Cu  -3.68739367      -4.83348703      0.392435730               6
 Cu  -3.63773537       3.83750367       2.43177938               7
 Cu  -3.49917817       1.35224891       2.45277047               9
 Cu  -3.49200869      -1.11126018       2.48746610               9
 Cu  -3.60426641      -3.59397125       2.52253699               7
 Cu  -3.60315442       2.61254144       4.56980133               6
 Cu  -3.55836630      0.142352074       4.64512205               7
 Cu  -3.58057642      -2.32501483       4.63259745               6
         160
 Ead:  -4.43579435     out: b-111-All-Rlx|gnp-2.40-0.00-0.00.out                        
 C   -1.39902759       1.66943645       7.54541874               0
 C  -0.917882442      0.538864374       6.89554834               0
 C  -0.414338589      -1.95995665       5.41511583               0
 C  -0.422575712      -3.14826703       4.71705818               0
 C  -0.994910717      -5.64414978       3.26869488               0
 C   -1.55084085      -6.73488092       2.62155533               0
 C   -1.76937723       2.80551529       6.82715893               0
 C   -1.58116055       2.85584807       5.42234373               0
 C  -0.778850079      0.509419680       5.48938990               0
 C   -1.04081392       1.69936466       4.74796915               0
 C  -0.497286081     -0.714695692       4.75720549               0
 C  -0.459681034     -0.705657840       3.33551526               0
 C  -0.511023045      -3.17894125       3.30924726               0
 C  -0.465944767      -1.94154024       2.60845566               0
 C  -0.822317600      -4.40675306       2.59994006               0
 C   -1.09332252      -4.33795261       1.20430911               0
 C   -1.94612408      -6.65159035       1.27943373               0
 C   -1.67412710      -5.47582960      0.532352090               0
 C   -1.99072027       3.99399352       4.64658785               0
 C   -1.66390038       4.08831644       3.25698781               0
 C  -0.848614693       1.73479080       3.32637429               0
 C   -1.08054304       2.94070196       2.59598851               0
 C  -0.547648907      0.534987152       2.62137914               0
 C  -0.476828098      0.544914126       1.19908977               0
 C  -0.562226534      -1.92246389       1.17760742               0
 C  -0.484621525     -0.686877906      0.473644763               0
 C  -0.884756088      -3.11899900      0.475272119               0
 C   -1.12513590      -3.06745458     -0.931961000               0
 C   -2.05217791      -5.36296320     -0.848788440               0
 C   -1.70855093      -4.20578337      -1.60789299               0
 C   -1.99808216       5.23957205       2.48460293               0
 C   -1.62480307       5.33529711       1.10585093               0
 C  -0.851991415       2.98065114       1.19361091               0
 C   -1.05313897       4.19280100      0.457604825               0
 C  -0.551424265       1.77829719      0.490648031               0
 C  -0.478860378       1.79213595     -0.934728682               0
 C  -0.578102827     -0.666157305     -0.948390901               0
 C  -0.497299194      0.572063267      -1.65479970               0
 C  -0.901630640      -1.86265850      -1.65446591               0
 C   -1.12791133      -1.80662799      -3.06887269               0
 C   -2.03616428      -4.10390711      -2.99380970               0
 C   -1.68385887      -2.94106293      -3.74758983               0
 C   -1.82623005       6.53064680      0.343163699               0
 C   -1.40312290       6.60837746     -0.972277462               0
 C  -0.773725510       4.24029398     -0.934722841               0
 C  -0.882842302       5.47666121      -1.64261556               0
 C  -0.498594284       3.03197408      -1.64435029               0
 C  -0.368839741       3.06229091      -3.06021595               0
 C  -0.574703693      0.599919736      -3.08192515               0
 C  -0.448714018       1.82695436      -3.79336333               0
 C  -0.899227142     -0.600934327      -3.78701425               0
 C   -1.09210086     -0.568158269      -5.20530367               0
 C   -1.91795540      -2.86117768      -5.15775442               0
 C   -1.58096790      -1.71971083      -5.86385250               0
 C  -0.535323381       5.49630642      -3.01898694               0
 C  -0.283349514       4.33218622      -3.70052624               0
 C  -0.543365955       1.79941559      -5.21383476               0
 C  -0.856259584      0.649588227      -5.89342308               0
 H   -1.52559710       1.65301943       8.63169289               0
 H  -0.693392992     -0.350157380       7.48742008               0
 H  -0.402010441      -2.00200009       6.50562525               0
 H  -0.424580812      -4.08001089       5.28520250               0
 H  -0.736928225      -5.73604345       4.32459307               0
 H   -1.71145439      -7.66599798       3.17142963               0
 H   -2.17982435       3.68097496       7.33889484               0
 H   -2.37395430      -7.52018452      0.770607829               0
 H   -2.30740499       4.90205336       5.16869450               0
 H   -2.37498569      -6.26335001      -1.37993407               0
 H   -2.34420824       6.14238310       2.99774146               0
 H   -2.35451460      -5.00339127      -3.52999830               0
 H   -2.25120306       7.40752935      0.843183994               0
 H   -2.30316019      -3.74404740      -5.67867565               0
 H   -1.52267122       7.54542685      -1.52649212               0
 H  -0.512901068       6.45827627      -3.54086328               0
 H   -4.96492386E-02   4.38449812      -4.76579714               0
 H  -0.424246788       2.72512960      -5.77838898               0
 H  -0.977837086      0.666103244      -6.98118496               0
 H   -1.73691177      -1.68445635      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  0.520923674     out: b-111-All-Rlx|gnp-2.40-0.00-4.98.out                        
 C   -1.39902759       1.66943645       12.5254192               0
 C  -0.917882442      0.538864374       11.8755484               0
 C  -0.414338589      -1.95995665       10.3951159               0
 C  -0.422575712      -3.14826703       9.69705772               0
 C  -0.994910717      -5.64414978       8.24869537               0
 C   -1.55084085      -6.73488092       7.60155535               0
 C   -1.76937723       2.80551529       11.8071594               0
 C   -1.58116055       2.85584807       10.4023438               0
 C  -0.778850079      0.509419680       10.4693899               0
 C   -1.04081392       1.69936466       9.72796917               0
 C  -0.497286081     -0.714695692       9.73720551               0
 C  -0.459681034     -0.705657840       8.31551552               0
 C  -0.511023045      -3.17894125       8.28924751               0
 C  -0.465944767      -1.94154024       7.58845568               0
 C  -0.822317600      -4.40675306       7.57993984               0
 C   -1.09332252      -4.33795261       6.18430901               0
 C   -1.94612408      -6.65159035       6.25943375               0
 C   -1.67412710      -5.47582960       5.51235199               0
 C   -1.99072027       3.99399352       9.62658787               0
 C   -1.66390038       4.08831644       8.23698807               0
 C  -0.848614693       1.73479080       8.30637455               0
 C   -1.08054304       2.94070196       7.57598877               0
 C  -0.547648907      0.534987152       7.60137939               0
 C  -0.476828098      0.544914126       6.17908955               0
 C  -0.562226534      -1.92246389       6.15760756               0
 C  -0.484621525     -0.686877906       5.45364475               0
 C  -0.884756088      -3.11899900       5.45527220               0
 C   -1.12513590      -3.06745458       4.04803896               0
 C   -2.05217791      -5.36296320       4.13121176               0
 C   -1.70855093      -4.20578337       3.37210703               0
 C   -1.99808216       5.23957205       7.46460295               0
 C   -1.62480307       5.33529711       6.08585072               0
 C  -0.851991415       2.98065114       6.17361069               0
 C   -1.05313897       4.19280100       5.43760490               0
 C  -0.551424265       1.77829719       5.47064781               0
 C  -0.478860378       1.79213595       4.04527140               0
 C  -0.578102827     -0.666157305       4.03160906               0
 C  -0.497299194      0.572063267       3.32520032               0
 C  -0.901630640      -1.86265850       3.32553411               0
 C   -1.12791133      -1.80662799       1.91112733               0
 C   -2.03616428      -4.10390711       1.98619032               0
 C   -1.68385887      -2.94106293       1.23241019               0
 C   -1.82623005       6.53064680       5.32316351               0
 C   -1.40312290       6.60837746       4.00772238               0
 C  -0.773725510       4.24029398       4.04527712               0
 C  -0.882842302       5.47666121       3.33738446               0
 C  -0.498594284       3.03197408       3.33564973               0
 C  -0.368839741       3.06229091       1.91978407               0
 C  -0.574703693      0.599919736       1.89807487               0
 C  -0.448714018       1.82695436       1.18663669               0
 C  -0.899227142     -0.600934327       1.19298577               0
 C   -1.09210086     -0.568158269     -0.225303650               0
 C   -1.91795540      -2.86117768     -0.177754402               0
 C   -1.58096790      -1.71971083     -0.883852482               0
 C  -0.535323381       5.49630642       1.96101308               0
 C  -0.283349514       4.33218622       1.27947378               0
 C  -0.543365955       1.79941559     -0.233834743               0
 C  -0.856259584      0.649588227     -0.913423061               0
 H   -1.52559710       1.65301943       13.6116924               0
 H  -0.693392992     -0.350157380       12.4674206               0
 H  -0.402010441      -2.00200009       11.4856253               0
 H  -0.424580812      -4.08001089       10.2652025               0
 H  -0.736928225      -5.73604345       9.30459309               0
 H   -1.71145439      -7.66599798       8.15143013               0
 H   -2.17982435       3.68097496       12.3188953               0
 H   -2.37395430      -7.52018452       5.75060797               0
 H   -2.30740499       4.90205336       10.1486950               0
 H   -2.37498569      -6.26335001       3.60006595               0
 H   -2.34420824       6.14238310       7.97774124               0
 H   -2.35451460      -5.00339127       1.45000172               0
 H   -2.25120306       7.40752935       5.82318401               0
 H   -2.30316019      -3.74404740     -0.698675632               0
 H   -1.52267122       7.54542685       3.45350790               0
 H  -0.512901068       6.45827627       1.43913674               0
 H   -4.96492386E-02   4.38449812      0.214202881               0
 H  -0.424246788       2.72512960     -0.798388958               0
 H  -0.977837086      0.666103244      -2.00118494               0
 H   -1.73691177      -1.68445635      -1.96703482               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -4.02248573     out: b-111-All-Rlx|gnp-2.40--0.62-1.08.out                       
 C   -1.39902759       1.04943645       8.62541866               0
 C  -0.917882442      -8.11356306E-02   7.97554827               0
 C  -0.414338589      -2.57995653       6.49511576               0
 C  -0.422575712      -3.76826715       5.79705811               0
 C  -0.994910717      -6.26414967       4.34869480               0
 C   -1.55084085      -7.35488081       3.70155525               0
 C   -1.76937723       2.18551540       7.90715885               0
 C   -1.58116055       2.23584795       6.50234365               0
 C  -0.778850079     -0.110580325       6.56938982               0
 C   -1.04081392       1.07936466       5.82796907               0
 C  -0.497286081      -1.33469570       5.83720541               0
 C  -0.459681034      -1.32565784       4.41551542               0
 C  -0.511023045      -3.79894114       4.38924742               0
 C  -0.465944767      -2.56154013       3.68845558               0
 C  -0.822317600      -5.02675295       3.67994022               0
 C   -1.09332252      -4.95795250       2.28430915               0
 C   -1.94612408      -7.27159023       2.35943365               0
 C   -1.67412710      -6.09582949       1.61235213               0
 C   -1.99072027       3.37399340       5.72658777               0
 C   -1.66390038       3.46831656       4.33698797               0
 C  -0.848614693       1.11479080       4.40637445               0
 C   -1.08054304       2.32070208       3.67598867               0
 C  -0.547648907      -8.50128531E-02   3.70137930               0
 C  -0.476828098      -7.50858784E-02   2.27908993               0
 C  -0.562226534      -2.54246378       2.25760746               0
 C  -0.484621525      -1.30687785       1.55364478               0
 C  -0.884756088      -3.73899889       1.55527210               0
 C   -1.12513590      -3.68745470      0.148039043               0
 C   -2.05217791      -5.98296309      0.231211603               0
 C   -1.70855093      -4.82578325     -0.527892947               0
 C   -1.99808216       4.61957216       3.56460285               0
 C   -1.62480307       4.71529722       2.18585110               0
 C  -0.851991415       2.36065102       2.27361107               0
 C   -1.05313897       3.57280111       1.53760481               0
 C  -0.551424265       1.15829718       1.57064807               0
 C  -0.478860378       1.17213595      0.145271361               0
 C  -0.578102827      -1.28615737      0.131609142               0
 C  -0.497299194      -4.79367375E-02 -0.574799657               0
 C  -0.901630640      -2.48265839     -0.574465871               0
 C   -1.12791133      -2.42662811      -1.98887265               0
 C   -2.03616428      -4.72390699      -1.91380966               0
 C   -1.68385887      -3.56106281      -2.66758966               0
 C   -1.82623005       5.91064692       1.42316377               0
 C   -1.40312290       5.98837757      0.107722580               0
 C  -0.773725510       3.62029409      0.145277202               0
 C  -0.882842302       4.85666132     -0.562615514               0
 C  -0.498594284       2.41197395     -0.564350247               0
 C  -0.368839741       2.44229078      -1.98021591               0
 C  -0.574703693      -2.00802684E-02  -2.00192499               0
 C  -0.448714018       1.20695436      -2.71336317               0
 C  -0.899227142      -1.22093439      -2.70701408               0
 C   -1.09210086      -1.18815827      -4.12530375               0
 C   -1.91795540      -3.48117781      -4.07775450               0
 C   -1.58096790      -2.33971071      -4.78385258               0
 C  -0.535323381       4.87630653      -1.93898690               0
 C  -0.283349514       3.71218634      -2.62052631               0
 C  -0.543365955       1.17941558      -4.13383484               0
 C  -0.856259584       2.95882225E-02  -4.81342316               0
 H   -1.52559710       1.03301942       9.71169281               0
 H  -0.693392992     -0.970157385       8.56742001               0
 H  -0.402010441      -2.62200022       7.58562517               0
 H  -0.424580812      -4.70001078       6.36520243               0
 H  -0.736928225      -6.35604334       5.40459299               0
 H   -1.71145439      -8.28599834       4.25142956               0
 H   -2.17982435       3.06097507       8.41889477               0
 H   -2.37395430      -8.14018440       1.85060787               0
 H   -2.30740499       4.28205347       6.24869442               0
 H   -2.37498569      -6.88334990     -0.299934030               0
 H   -2.34420824       5.52238321       4.07774162               0
 H   -2.35451460      -5.62339115      -2.44999838               0
 H   -2.25120306       6.78752947       1.92318404               0
 H   -2.30316019      -4.36404753      -4.59867573               0
 H   -1.52267122       6.92542696     -0.446492076               0
 H  -0.512901068       5.83827639      -2.46086311               0
 H   -4.96492386E-02   3.76449823      -3.68579721               0
 H  -0.424246788       2.10512972      -4.69838905               0
 H  -0.977837086       4.61032391E-02  -5.90118504               0
 H   -1.73691177      -2.30445623      -5.86703491               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -3.56947398     out: b-111-All-Rlx|gnp-2.40--1.25-2.16.out                       
 C   -1.39902759      0.419436455       9.70541859               0
 C  -0.917882442     -0.711135626       9.05554867               0
 C  -0.414338589      -3.20995665       7.57511616               0
 C  -0.422575712      -4.39826679       6.87705803               0
 C  -0.994910717      -6.89414978       5.42869473               0
 C   -1.55084085      -7.98488092       4.78155518               0
 C   -1.76937723       1.55551529       8.98715878               0
 C   -1.58116055       1.60584807       7.58234406               0
 C  -0.778850079     -0.740580320       7.64939022               0
 C   -1.04081392      0.449364662       6.90796947               0
 C  -0.497286081      -1.96469569       6.91720581               0
 C  -0.459681034      -1.95565784       5.49551535               0
 C  -0.511023045      -4.42894125       5.46924734               0
 C  -0.465944767      -3.19154024       4.76845551               0
 C  -0.822317600      -5.65675306       4.75994015               0
 C   -1.09332252      -5.58795261       3.36430931               0
 C   -1.94612408      -7.90159035       3.43943381               0
 C   -1.67412710      -6.72582960       2.69235229               0
 C   -1.99072027       2.74399352       6.80658817               0
 C   -1.66390038       2.83831644       5.41698790               0
 C  -0.848614693      0.484790802       5.48637438               0
 C   -1.08054304       1.69070196       4.75598860               0
 C  -0.547648907     -0.715012848       4.78137922               0
 C  -0.476828098     -0.705085874       3.35908985               0
 C  -0.562226534      -3.17246389       3.33760738               0
 C  -0.484621525      -1.93687797       2.63364482               0
 C  -0.884756088      -4.36899900       2.63527226               0
 C   -1.12513590      -4.31745434       1.22803903               0
 C   -2.05217791      -6.61296320       1.31121159               0
 C   -1.70855093      -5.45578337      0.552107096               0
 C   -1.99808216       3.98957205       4.64460278               0
 C   -1.62480307       4.08529711       3.26585102               0
 C  -0.851991415       1.73065114       3.35361099               0
 C   -1.05313897       2.94280100       2.61760497               0
 C  -0.551424265      0.528297186       2.65064812               0
 C  -0.478860378      0.542135954       1.22527146               0
 C  -0.578102827      -1.91615725       1.21160913               0
 C  -0.497299194     -0.677936733      0.505200386               0
 C  -0.901630640      -3.11265850      0.505534172               0
 C   -1.12791133      -3.05662799     -0.908872604               0
 C   -2.03616428      -5.35390711     -0.833809614               0
 C   -1.68385887      -4.19106293      -1.58758974               0
 C   -1.82623005       5.28064680       2.50316381               0
 C   -1.40312290       5.35837746       1.18772268               0
 C  -0.773725510       2.99029398       1.22527719               0
 C  -0.882842302       4.22666121      0.517384529               0
 C  -0.498594284       1.78197408      0.515649796               0
 C  -0.368839741       1.81229091     -0.900215864               0
 C  -0.574703693     -0.650080264     -0.921925068               0
 C  -0.448714018      0.576954365      -1.63336325               0
 C  -0.899227142      -1.85093427      -1.62701416               0
 C   -1.09210086      -1.81815827      -3.04530358               0
 C   -1.91795540      -4.11117744      -2.99775434               0
 C   -1.58096790      -2.96971083      -3.70385242               0
 C  -0.535323381       4.24630642     -0.858986855               0
 C  -0.283349514       3.08218622      -1.54052615               0
 C  -0.543365955      0.549415588      -3.05383468               0
 C  -0.856259584     -0.600411773      -3.73342299               0
 H   -1.52559710      0.403019428       10.7916927               0
 H  -0.693392992      -1.60015738       9.64741993               0
 H  -0.402010441      -3.25200009       8.66562557               0
 H  -0.424580812      -5.33001089       7.44520283               0
 H  -0.736928225      -6.98604345       6.48459339               0
 H   -1.71145439      -8.91599846       5.33142948               0
 H   -2.17982435       2.43097496       9.49889469               0
 H   -2.37395430      -8.77018452       2.93060780               0
 H   -2.30740499       3.65205336       7.32869434               0
 H   -2.37498569      -7.51335001      0.780066013               0
 H   -2.34420824       4.89238310       5.15774155               0
 H   -2.35451460      -6.25339127      -1.36999822               0
 H   -2.25120306       6.15752935       3.00318408               0
 H   -2.30316019      -4.99404716      -3.51867557               0
 H   -1.52267122       6.29542685      0.633507967               0
 H  -0.512901068       5.20827627      -1.38086319               0
 H   -4.96492386E-02   3.13449812      -2.60579705               0
 H  -0.424246788       1.47512960      -3.61838889               0
 H  -0.977837086     -0.583896756      -4.82118511               0
 H   -1.73691177      -2.93445635      -4.78703499               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -4.86858845     out: b-111-All-Rlx|gnp-2.60-0.00-0.00.out                        
 C   -1.19902778       1.66943645       7.54541874               0
 C  -0.717882633      0.538864374       6.89554834               0
 C  -0.214338779      -1.95995665       5.41511583               0
 C  -0.222575903      -3.14826703       4.71705818               0
 C  -0.794910908      -5.64414978       3.26869488               0
 C   -1.35084105      -6.73488092       2.62155533               0
 C   -1.56937742       2.80551529       6.82715893               0
 C   -1.38116074       2.85584807       5.42234373               0
 C  -0.578850269      0.509419680       5.48938990               0
 C  -0.840814114       1.69936466       4.74796915               0
 C  -0.297286272     -0.714695692       4.75720549               0
 C  -0.259681225     -0.705657840       3.33551526               0
 C  -0.311023235      -3.17894125       3.30924726               0
 C  -0.265944958      -1.94154024       2.60845566               0
 C  -0.622317791      -4.40675306       2.59994006               0
 C  -0.893322706      -4.33795261       1.20430911               0
 C   -1.74612427      -6.65159035       1.27943373               0
 C   -1.47412729      -5.47582960      0.532352090               0
 C   -1.79072046       3.99399352       4.64658785               0
 C   -1.46390057       4.08831644       3.25698781               0
 C  -0.648614883       1.73479080       3.32637429               0
 C  -0.880543232       2.94070196       2.59598851               0
 C  -0.347649097      0.534987152       2.62137914               0
 C  -0.276828289      0.544914126       1.19908977               0
 C  -0.362226725      -1.92246389       1.17760742               0
 C  -0.284621716     -0.686877906      0.473644763               0
 C  -0.684756279      -3.11899900      0.475272119               0
 C  -0.925136089      -3.06745458     -0.931961000               0
 C   -1.85217810      -5.36296320     -0.848788440               0
 C   -1.50855112      -4.20578337      -1.60789299               0
 C   -1.79808235       5.23957205       2.48460293               0
 C   -1.42480326       5.33529711       1.10585093               0
 C  -0.651991606       2.98065114       1.19361091               0
 C  -0.853139162       4.19280100      0.457604825               0
 C  -0.351424456       1.77829719      0.490648031               0
 C  -0.278860569       1.79213595     -0.934728682               0
 C  -0.378103018     -0.666157305     -0.948390901               0
 C  -0.297299385      0.572063267      -1.65479970               0
 C  -0.701630831      -1.86265850      -1.65446591               0
 C  -0.927911520      -1.80662799      -3.06887269               0
 C   -1.83616447      -4.10390711      -2.99380970               0
 C   -1.48385906      -2.94106293      -3.74758983               0
 C   -1.62623024       6.53064680      0.343163699               0
 C   -1.20312309       6.60837746     -0.972277462               0
 C  -0.573725700       4.24029398     -0.934722841               0
 C  -0.682842493       5.47666121      -1.64261556               0
 C  -0.298594475       3.03197408      -1.64435029               0
 C  -0.168839931       3.06229091      -3.06021595               0
 C  -0.374703884      0.599919736      -3.08192515               0
 C  -0.248714209       1.82695436      -3.79336333               0
 C  -0.699227333     -0.600934327      -3.78701425               0
 C  -0.892101049     -0.568158269      -5.20530367               0
 C   -1.71795559      -2.86117768      -5.15775442               0
 C   -1.38096809      -1.71971083      -5.86385250               0
 C  -0.335323572       5.49630642      -3.01898694               0
 C   -8.33497047E-02   4.33218622      -3.70052624               0
 C  -0.343366146       1.79941559      -5.21383476               0
 C  -0.656259775      0.649588227      -5.89342308               0
 H   -1.32559729       1.65301943       8.63169289               0
 H  -0.493393183     -0.350157380       7.48742008               0
 H  -0.202010632      -2.00200009       6.50562525               0
 H  -0.224581003      -4.08001089       5.28520250               0
 H  -0.536928415      -5.73604345       4.32459307               0
 H   -1.51145458      -7.66599798       3.17142963               0
 H   -1.97982454       3.68097496       7.33889484               0
 H   -2.17395449      -7.52018452      0.770607829               0
 H   -2.10740519       4.90205336       5.16869450               0
 H   -2.17498589      -6.26335001      -1.37993407               0
 H   -2.14420843       6.14238310       2.99774146               0
 H   -2.15451479      -5.00339127      -3.52999830               0
 H   -2.05120325       7.40752935      0.843183994               0
 H   -2.10316038      -3.74404740      -5.67867565               0
 H   -1.32267141       7.54542685      -1.52649212               0
 H  -0.312901258       6.45827627      -3.54086328               0
 H   0.150350571       4.38449812      -4.76579714               0
 H  -0.224246979       2.72512960      -5.77838898               0
 H  -0.777837276      0.666103244      -6.98118496               0
 H   -1.53691196      -1.68445635      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.856624663     out: b-111-All-Rlx|gnp-2.60-0.00-4.98.out                        
 C   -1.19902778       1.66943645       12.5254192               0
 C  -0.717882633      0.538864374       11.8755484               0
 C  -0.214338779      -1.95995665       10.3951159               0
 C  -0.222575903      -3.14826703       9.69705772               0
 C  -0.794910908      -5.64414978       8.24869537               0
 C   -1.35084105      -6.73488092       7.60155535               0
 C   -1.56937742       2.80551529       11.8071594               0
 C   -1.38116074       2.85584807       10.4023438               0
 C  -0.578850269      0.509419680       10.4693899               0
 C  -0.840814114       1.69936466       9.72796917               0
 C  -0.297286272     -0.714695692       9.73720551               0
 C  -0.259681225     -0.705657840       8.31551552               0
 C  -0.311023235      -3.17894125       8.28924751               0
 C  -0.265944958      -1.94154024       7.58845568               0
 C  -0.622317791      -4.40675306       7.57993984               0
 C  -0.893322706      -4.33795261       6.18430901               0
 C   -1.74612427      -6.65159035       6.25943375               0
 C   -1.47412729      -5.47582960       5.51235199               0
 C   -1.79072046       3.99399352       9.62658787               0
 C   -1.46390057       4.08831644       8.23698807               0
 C  -0.648614883       1.73479080       8.30637455               0
 C  -0.880543232       2.94070196       7.57598877               0
 C  -0.347649097      0.534987152       7.60137939               0
 C  -0.276828289      0.544914126       6.17908955               0
 C  -0.362226725      -1.92246389       6.15760756               0
 C  -0.284621716     -0.686877906       5.45364475               0
 C  -0.684756279      -3.11899900       5.45527220               0
 C  -0.925136089      -3.06745458       4.04803896               0
 C   -1.85217810      -5.36296320       4.13121176               0
 C   -1.50855112      -4.20578337       3.37210703               0
 C   -1.79808235       5.23957205       7.46460295               0
 C   -1.42480326       5.33529711       6.08585072               0
 C  -0.651991606       2.98065114       6.17361069               0
 C  -0.853139162       4.19280100       5.43760490               0
 C  -0.351424456       1.77829719       5.47064781               0
 C  -0.278860569       1.79213595       4.04527140               0
 C  -0.378103018     -0.666157305       4.03160906               0
 C  -0.297299385      0.572063267       3.32520032               0
 C  -0.701630831      -1.86265850       3.32553411               0
 C  -0.927911520      -1.80662799       1.91112733               0
 C   -1.83616447      -4.10390711       1.98619032               0
 C   -1.48385906      -2.94106293       1.23241019               0
 C   -1.62623024       6.53064680       5.32316351               0
 C   -1.20312309       6.60837746       4.00772238               0
 C  -0.573725700       4.24029398       4.04527712               0
 C  -0.682842493       5.47666121       3.33738446               0
 C  -0.298594475       3.03197408       3.33564973               0
 C  -0.168839931       3.06229091       1.91978407               0
 C  -0.374703884      0.599919736       1.89807487               0
 C  -0.248714209       1.82695436       1.18663669               0
 C  -0.699227333     -0.600934327       1.19298577               0
 C  -0.892101049     -0.568158269     -0.225303650               0
 C   -1.71795559      -2.86117768     -0.177754402               0
 C   -1.38096809      -1.71971083     -0.883852482               0
 C  -0.335323572       5.49630642       1.96101308               0
 C   -8.33497047E-02   4.33218622       1.27947378               0
 C  -0.343366146       1.79941559     -0.233834743               0
 C  -0.656259775      0.649588227     -0.913423061               0
 H   -1.32559729       1.65301943       13.6116924               0
 H  -0.493393183     -0.350157380       12.4674206               0
 H  -0.202010632      -2.00200009       11.4856253               0
 H  -0.224581003      -4.08001089       10.2652025               0
 H  -0.536928415      -5.73604345       9.30459309               0
 H   -1.51145458      -7.66599798       8.15143013               0
 H   -1.97982454       3.68097496       12.3188953               0
 H   -2.17395449      -7.52018452       5.75060797               0
 H   -2.10740519       4.90205336       10.1486950               0
 H   -2.17498589      -6.26335001       3.60006595               0
 H   -2.14420843       6.14238310       7.97774124               0
 H   -2.15451479      -5.00339127       1.45000172               0
 H   -2.05120325       7.40752935       5.82318401               0
 H   -2.10316038      -3.74404740     -0.698675632               0
 H   -1.32267141       7.54542685       3.45350790               0
 H  -0.312901258       6.45827627       1.43913674               0
 H   0.150350571       4.38449812      0.214202881               0
 H  -0.224246979       2.72512960     -0.798388958               0
 H  -0.777837276      0.666103244      -2.00118494               0
 H   -1.53691196      -1.68445635      -1.96703482               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -4.69524813     out: b-111-All-Rlx|gnp-2.60--0.62-1.08.out                       
 C   -1.19902778       1.04943645       8.62541866               0
 C  -0.717882633      -8.11356306E-02   7.97554827               0
 C  -0.214338779      -2.57995653       6.49511576               0
 C  -0.222575903      -3.76826715       5.79705811               0
 C  -0.794910908      -6.26414967       4.34869480               0
 C   -1.35084105      -7.35488081       3.70155525               0
 C   -1.56937742       2.18551540       7.90715885               0
 C   -1.38116074       2.23584795       6.50234365               0
 C  -0.578850269     -0.110580325       6.56938982               0
 C  -0.840814114       1.07936466       5.82796907               0
 C  -0.297286272      -1.33469570       5.83720541               0
 C  -0.259681225      -1.32565784       4.41551542               0
 C  -0.311023235      -3.79894114       4.38924742               0
 C  -0.265944958      -2.56154013       3.68845558               0
 C  -0.622317791      -5.02675295       3.67994022               0
 C  -0.893322706      -4.95795250       2.28430915               0
 C   -1.74612427      -7.27159023       2.35943365               0
 C   -1.47412729      -6.09582949       1.61235213               0
 C   -1.79072046       3.37399340       5.72658777               0
 C   -1.46390057       3.46831656       4.33698797               0
 C  -0.648614883       1.11479080       4.40637445               0
 C  -0.880543232       2.32070208       3.67598867               0
 C  -0.347649097      -8.50128531E-02   3.70137930               0
 C  -0.276828289      -7.50858784E-02   2.27908993               0
 C  -0.362226725      -2.54246378       2.25760746               0
 C  -0.284621716      -1.30687785       1.55364478               0
 C  -0.684756279      -3.73899889       1.55527210               0
 C  -0.925136089      -3.68745470      0.148039043               0
 C   -1.85217810      -5.98296309      0.231211603               0
 C   -1.50855112      -4.82578325     -0.527892947               0
 C   -1.79808235       4.61957216       3.56460285               0
 C   -1.42480326       4.71529722       2.18585110               0
 C  -0.651991606       2.36065102       2.27361107               0
 C  -0.853139162       3.57280111       1.53760481               0
 C  -0.351424456       1.15829718       1.57064807               0
 C  -0.278860569       1.17213595      0.145271361               0
 C  -0.378103018      -1.28615737      0.131609142               0
 C  -0.297299385      -4.79367375E-02 -0.574799657               0
 C  -0.701630831      -2.48265839     -0.574465871               0
 C  -0.927911520      -2.42662811      -1.98887265               0
 C   -1.83616447      -4.72390699      -1.91380966               0
 C   -1.48385906      -3.56106281      -2.66758966               0
 C   -1.62623024       5.91064692       1.42316377               0
 C   -1.20312309       5.98837757      0.107722580               0
 C  -0.573725700       3.62029409      0.145277202               0
 C  -0.682842493       4.85666132     -0.562615514               0
 C  -0.298594475       2.41197395     -0.564350247               0
 C  -0.168839931       2.44229078      -1.98021591               0
 C  -0.374703884      -2.00802684E-02  -2.00192499               0
 C  -0.248714209       1.20695436      -2.71336317               0
 C  -0.699227333      -1.22093439      -2.70701408               0
 C  -0.892101049      -1.18815827      -4.12530375               0
 C   -1.71795559      -3.48117781      -4.07775450               0
 C   -1.38096809      -2.33971071      -4.78385258               0
 C  -0.335323572       4.87630653      -1.93898690               0
 C   -8.33497047E-02   3.71218634      -2.62052631               0
 C  -0.343366146       1.17941558      -4.13383484               0
 C  -0.656259775       2.95882225E-02  -4.81342316               0
 H   -1.32559729       1.03301942       9.71169281               0
 H  -0.493393183     -0.970157385       8.56742001               0
 H  -0.202010632      -2.62200022       7.58562517               0
 H  -0.224581003      -4.70001078       6.36520243               0
 H  -0.536928415      -6.35604334       5.40459299               0
 H   -1.51145458      -8.28599834       4.25142956               0
 H   -1.97982454       3.06097507       8.41889477               0
 H   -2.17395449      -8.14018440       1.85060787               0
 H   -2.10740519       4.28205347       6.24869442               0
 H   -2.17498589      -6.88334990     -0.299934030               0
 H   -2.14420843       5.52238321       4.07774162               0
 H   -2.15451479      -5.62339115      -2.44999838               0
 H   -2.05120325       6.78752947       1.92318404               0
 H   -2.10316038      -4.36404753      -4.59867573               0
 H   -1.32267141       6.92542696     -0.446492076               0
 H  -0.312901258       5.83827639      -2.46086311               0
 H   0.150350571       3.76449823      -3.68579721               0
 H  -0.224246979       2.10512972      -4.69838905               0
 H  -0.777837276       4.61032391E-02  -5.90118504               0
 H   -1.53691196      -2.30445623      -5.86703491               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -3.66428137     out: b-111-All-Rlx|gnp-2.60-0.84-0.00.out                        
 C   -1.19902778       2.50943637       7.54541874               0
 C  -0.717882633       1.37886429       6.89554834               0
 C  -0.214338779      -1.11995673       5.41511583               0
 C  -0.222575903      -2.30826712       4.71705818               0
 C  -0.794910908      -4.80414963       3.26869488               0
 C   -1.35084105      -5.89488077       2.62155533               0
 C   -1.56937742       3.64551520       6.82715893               0
 C   -1.38116074       3.69584799       5.42234373               0
 C  -0.578850269       1.34941959       5.48938990               0
 C  -0.840814114       2.53936458       4.74796915               0
 C  -0.297286272      0.125304282       4.75720549               0
 C  -0.259681225      0.134342134       3.33551526               0
 C  -0.311023235      -2.33894134       3.30924726               0
 C  -0.265944958      -1.10154033       2.60845566               0
 C  -0.622317791      -3.56675315       2.59994006               0
 C  -0.893322706      -3.49795270       1.20430911               0
 C   -1.74612427      -5.81159019       1.27943373               0
 C   -1.47412729      -4.63582945      0.532352090               0
 C   -1.79072046       4.83399343       4.64658785               0
 C   -1.46390057       4.92831659       3.25698781               0
 C  -0.648614883       2.57479072       3.32637429               0
 C  -0.880543232       3.78070188       2.59598851               0
 C  -0.347649097       1.37498713       2.62137914               0
 C  -0.276828289       1.38491416       1.19908977               0
 C  -0.362226725      -1.08246398       1.17760742               0
 C  -0.284621716      0.153122067      0.473644763               0
 C  -0.684756279      -2.27899909      0.475272119               0
 C  -0.925136089      -2.22745466     -0.931961000               0
 C   -1.85217810      -4.52296305     -0.848788440               0
 C   -1.50855112      -3.36578345      -1.60789299               0
 C   -1.79808235       6.07957220       2.48460293               0
 C   -1.42480326       6.17529726       1.10585093               0
 C  -0.651991606       3.82065105       1.19361091               0
 C  -0.853139162       5.03280115      0.457604825               0
 C  -0.351424456       2.61829710      0.490648031               0
 C  -0.278860569       2.63213587     -0.934728682               0
 C  -0.378103018      0.173842669     -0.948390901               0
 C  -0.297299385       1.41206324      -1.65479970               0
 C  -0.701630831      -1.02265859      -1.65446591               0
 C  -0.927911520     -0.966628015      -3.06887269               0
 C   -1.83616447      -3.26390719      -2.99380970               0
 C   -1.48385906      -2.10106301      -3.74758983               0
 C   -1.62623024       7.37064695      0.343163699               0
 C   -1.20312309       7.44837761     -0.972277462               0
 C  -0.573725700       5.08029413     -0.934722841               0
 C  -0.682842493       6.31666136      -1.64261556               0
 C  -0.298594475       3.87197399      -1.64435029               0
 C  -0.168839931       3.90229082      -3.06021595               0
 C  -0.374703884       1.43991971      -3.08192515               0
 C  -0.248714209       2.66695428      -3.79336333               0
 C  -0.699227333      0.239065647      -3.78701425               0
 C  -0.892101049      0.271841705      -5.20530367               0
 C   -1.71795559      -2.02117777      -5.15775442               0
 C   -1.38096809     -0.879710853      -5.86385250               0
 C  -0.335323572       6.33630657      -3.01898694               0
 C   -8.33497047E-02   5.17218637      -3.70052624               0
 C  -0.343366146       2.63941550      -5.21383476               0
 C  -0.656259775       1.48958826      -5.89342308               0
 H   -1.32559729       2.49301934       8.63169289               0
 H  -0.493393183      0.489842594       7.48742008               0
 H  -0.202010632      -1.16200018       6.50562525               0
 H  -0.224581003      -3.24001098       5.28520250               0
 H  -0.536928415      -4.89604330       4.32459307               0
 H   -1.51145458      -6.82599783       3.17142963               0
 H   -1.97982454       4.52097511       7.33889484               0
 H   -2.17395449      -6.68018436      0.770607829               0
 H   -2.10740519       5.74205351       5.16869450               0
 H   -2.17498589      -5.42334986      -1.37993407               0
 H   -2.14420843       6.98238325       2.99774146               0
 H   -2.15451479      -4.16339111      -3.52999830               0
 H   -2.05120325       8.24752903      0.843183994               0
 H   -2.10316038      -2.90404749      -5.67867565               0
 H   -1.32267141       8.38542652      -1.52649212               0
 H  -0.312901258       7.29827642      -3.54086328               0
 H   0.150350571       5.22449827      -4.76579714               0
 H  -0.224246979       3.56512952      -5.77838898               0
 H  -0.777837276       1.50610328      -6.98118496               0
 H   -1.53691196     -0.844456375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -3.95649171     out: b-111-All-Rlx|gnp-2.60--1.25-2.16.out                       
 C   -1.19902778      0.419436455       9.70541859               0
 C  -0.717882633     -0.711135626       9.05554867               0
 C  -0.214338779      -3.20995665       7.57511616               0
 C  -0.222575903      -4.39826679       6.87705803               0
 C  -0.794910908      -6.89414978       5.42869473               0
 C   -1.35084105      -7.98488092       4.78155518               0
 C   -1.56937742       1.55551529       8.98715878               0
 C   -1.38116074       1.60584807       7.58234406               0
 C  -0.578850269     -0.740580320       7.64939022               0
 C  -0.840814114      0.449364662       6.90796947               0
 C  -0.297286272      -1.96469569       6.91720581               0
 C  -0.259681225      -1.95565784       5.49551535               0
 C  -0.311023235      -4.42894125       5.46924734               0
 C  -0.265944958      -3.19154024       4.76845551               0
 C  -0.622317791      -5.65675306       4.75994015               0
 C  -0.893322706      -5.58795261       3.36430931               0
 C   -1.74612427      -7.90159035       3.43943381               0
 C   -1.47412729      -6.72582960       2.69235229               0
 C   -1.79072046       2.74399352       6.80658817               0
 C   -1.46390057       2.83831644       5.41698790               0
 C  -0.648614883      0.484790802       5.48637438               0
 C  -0.880543232       1.69070196       4.75598860               0
 C  -0.347649097     -0.715012848       4.78137922               0
 C  -0.276828289     -0.705085874       3.35908985               0
 C  -0.362226725      -3.17246389       3.33760738               0
 C  -0.284621716      -1.93687797       2.63364482               0
 C  -0.684756279      -4.36899900       2.63527226               0
 C  -0.925136089      -4.31745434       1.22803903               0
 C   -1.85217810      -6.61296320       1.31121159               0
 C   -1.50855112      -5.45578337      0.552107096               0
 C   -1.79808235       3.98957205       4.64460278               0
 C   -1.42480326       4.08529711       3.26585102               0
 C  -0.651991606       1.73065114       3.35361099               0
 C  -0.853139162       2.94280100       2.61760497               0
 C  -0.351424456      0.528297186       2.65064812               0
 C  -0.278860569      0.542135954       1.22527146               0
 C  -0.378103018      -1.91615725       1.21160913               0
 C  -0.297299385     -0.677936733      0.505200386               0
 C  -0.701630831      -3.11265850      0.505534172               0
 C  -0.927911520      -3.05662799     -0.908872604               0
 C   -1.83616447      -5.35390711     -0.833809614               0
 C   -1.48385906      -4.19106293      -1.58758974               0
 C   -1.62623024       5.28064680       2.50316381               0
 C   -1.20312309       5.35837746       1.18772268               0
 C  -0.573725700       2.99029398       1.22527719               0
 C  -0.682842493       4.22666121      0.517384529               0
 C  -0.298594475       1.78197408      0.515649796               0
 C  -0.168839931       1.81229091     -0.900215864               0
 C  -0.374703884     -0.650080264     -0.921925068               0
 C  -0.248714209      0.576954365      -1.63336325               0
 C  -0.699227333      -1.85093427      -1.62701416               0
 C  -0.892101049      -1.81815827      -3.04530358               0
 C   -1.71795559      -4.11117744      -2.99775434               0
 C   -1.38096809      -2.96971083      -3.70385242               0
 C  -0.335323572       4.24630642     -0.858986855               0
 C   -8.33497047E-02   3.08218622      -1.54052615               0
 C  -0.343366146      0.549415588      -3.05383468               0
 C  -0.656259775     -0.600411773      -3.73342299               0
 H   -1.32559729      0.403019428       10.7916927               0
 H  -0.493393183      -1.60015738       9.64741993               0
 H  -0.202010632      -3.25200009       8.66562557               0
 H  -0.224581003      -5.33001089       7.44520283               0
 H  -0.536928415      -6.98604345       6.48459339               0
 H   -1.51145458      -8.91599846       5.33142948               0
 H   -1.97982454       2.43097496       9.49889469               0
 H   -2.17395449      -8.77018452       2.93060780               0
 H   -2.10740519       3.65205336       7.32869434               0
 H   -2.17498589      -7.51335001      0.780066013               0
 H   -2.14420843       4.89238310       5.15774155               0
 H   -2.15451479      -6.25339127      -1.36999822               0
 H   -2.05120325       6.15752935       3.00318408               0
 H   -2.10316038      -4.99404716      -3.51867557               0
 H   -1.32267141       6.29542685      0.633507967               0
 H  -0.312901258       5.20827627      -1.38086319               0
 H   0.150350571       3.13449812      -2.60579705               0
 H  -0.224246979       1.47512960      -3.61838889               0
 H  -0.777837276     -0.583896756      -4.82118511               0
 H   -1.53691196      -2.93445635      -4.78703499               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.844737411     out: b-111-All-Rlx|gnp-2.60-2.90-0.00.out                        
 C   -1.19902778       4.56943655       7.54541874               0
 C  -0.717882633       3.43886447       6.89554834               0
 C  -0.214338779      0.940043449       5.41511583               0
 C  -0.222575903     -0.248266935       4.71705818               0
 C  -0.794910908      -2.74414968       3.26869488               0
 C   -1.35084105      -3.83488083       2.62155533               0
 C   -1.56937742       5.70551538       6.82715893               0
 C   -1.38116074       5.75584793       5.42234373               0
 C  -0.578850269       3.40941978       5.48938990               0
 C  -0.840814114       4.59936476       4.74796915               0
 C  -0.297286272       2.18530440       4.75720549               0
 C  -0.259681225       2.19434214       3.33551526               0
 C  -0.311023235     -0.278941154       3.30924726               0
 C  -0.265944958      0.958459854       2.60845566               0
 C  -0.622317791      -1.50675297       2.59994006               0
 C  -0.893322706      -1.43795252       1.20430911               0
 C   -1.74612427      -3.75159025       1.27943373               0
 C   -1.47412729      -2.57582951      0.532352090               0
 C   -1.79072046       6.89399338       4.64658785               0
 C   -1.46390057       6.98831654       3.25698781               0
 C  -0.648614883       4.63479090       3.32637429               0
 C  -0.880543232       5.84070206       2.59598851               0
 C  -0.347649097       3.43498731       2.62137914               0
 C  -0.276828289       3.44491434       1.19908977               0
 C  -0.362226725      0.977536201       1.17760742               0
 C  -0.284621716       2.21312213      0.473644763               0
 C  -0.684756279     -0.218998909      0.475272119               0
 C  -0.925136089     -0.167454481     -0.931961000               0
 C   -1.85217810      -2.46296310     -0.848788440               0
 C   -1.50855112      -1.30578327      -1.60789299               0
 C   -1.79808235       8.13957214       2.48460293               0
 C   -1.42480326       8.23529720       1.10585093               0
 C  -0.651991606       5.88065147       1.19361091               0
 C  -0.853139162       7.09280109      0.457604825               0
 C  -0.351424456       4.67829704      0.490648031               0
 C  -0.278860569       4.69213581     -0.934728682               0
 C  -0.378103018       2.23384285     -0.948390901               0
 C  -0.297299385       3.47206330      -1.65479970               0
 C  -0.701630831       1.03734159      -1.65446591               0
 C  -0.927911520       1.09337211      -3.06887269               0
 C   -1.83616447      -1.20390701      -2.99380970               0
 C   -1.48385906      -4.10628319E-02  -3.74758983               0
 C   -1.62623024       9.43064690      0.343163699               0
 C   -1.20312309       9.50837708     -0.972277462               0
 C  -0.573725700       7.14029408     -0.934722841               0
 C  -0.682842493       8.37666130      -1.64261556               0
 C  -0.298594475       5.93197441      -1.64435029               0
 C  -0.168839931       5.96229076      -3.06021595               0
 C  -0.374703884       3.49991989      -3.08192515               0
 C  -0.248714209       4.72695446      -3.79336333               0
 C  -0.699227333       2.29906583      -3.78701425               0
 C  -0.892101049       2.33184195      -5.20530367               0
 C   -1.71795559       3.88224125E-02  -5.15775442               0
 C   -1.38096809       1.18028927      -5.86385250               0
 C  -0.335323572       8.39630699      -3.01898694               0
 C   -8.33497047E-02   7.23218632      -3.70052624               0
 C  -0.343366146       4.69941568      -5.21383476               0
 C  -0.656259775       3.54958820      -5.89342308               0
 H   -1.32559729       4.55301952       8.63169289               0
 H  -0.493393183       2.54984283       7.48742008               0
 H  -0.202010632      0.898000002       6.50562525               0
 H  -0.224581003      -1.18001080       5.28520250               0
 H  -0.536928415      -2.83604336       4.32459307               0
 H   -1.51145458      -4.76599789       3.17142963               0
 H   -1.97982454       6.58097506       7.33889484               0
 H   -2.17395449      -4.62018442      0.770607829               0
 H   -2.10740519       7.80205345       5.16869450               0
 H   -2.17498589      -3.36334991      -1.37993407               0
 H   -2.14420843       9.04238319       2.99774146               0
 H   -2.15451479      -2.10339117      -3.52999830               0
 H   -2.05120325       10.3075294      0.843183994               0
 H   -2.10316038     -0.844047308      -5.67867565               0
 H   -1.32267141       10.4454269      -1.52649212               0
 H  -0.312901258       9.35827637      -3.54086328               0
 H   0.150350571       7.28449821      -4.76579714               0
 H  -0.224246979       5.62512970      -5.77838898               0
 H  -0.777837276       3.56610346      -6.98118496               0
 H   -1.53691196       1.21554375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -4.52755308     out: b-111-All-Rlx|gnp-2.80-0.00-0.00.out                        
 C  -0.999027729       1.66943645       7.54541874               0
 C  -0.517882586      0.538864374       6.89554834               0
 C   -1.43387318E-02  -1.95995665       5.41511583               0
 C   -2.25758553E-02  -3.14826703       4.71705818               0
 C  -0.594910860      -5.64414978       3.26869488               0
 C   -1.15084100      -6.73488092       2.62155533               0
 C   -1.36937737       2.80551529       6.82715893               0
 C   -1.18116069       2.85584807       5.42234373               0
 C  -0.378850222      0.509419680       5.48938990               0
 C  -0.640814066       1.69936466       4.74796915               0
 C   -9.72862244E-02 -0.714695692       4.75720549               0
 C   -5.96811771E-02 -0.705657840       3.33551526               0
 C  -0.111023188      -3.17894125       3.30924726               0
 C   -6.59449100E-02  -1.94154024       2.60845566               0
 C  -0.422317743      -4.40675306       2.59994006               0
 C  -0.693322659      -4.33795261       1.20430911               0
 C   -1.54612422      -6.65159035       1.27943373               0
 C   -1.27412724      -5.47582960      0.532352090               0
 C   -1.59072042       3.99399352       4.64658785               0
 C   -1.26390052       4.08831644       3.25698781               0
 C  -0.448614836       1.73479080       3.32637429               0
 C  -0.680543184       2.94070196       2.59598851               0
 C  -0.147649050      0.534987152       2.62137914               0
 C   -7.68282413E-02  0.544914126       1.19908977               0
 C  -0.162226677      -1.92246389       1.17760742               0
 C   -8.46216679E-02 -0.686877906      0.473644763               0
 C  -0.484756231      -3.11899900      0.475272119               0
 C  -0.725136042      -3.06745458     -0.931961000               0
 C   -1.65217805      -5.36296320     -0.848788440               0
 C   -1.30855107      -4.20578337      -1.60789299               0
 C   -1.59808230       5.23957205       2.48460293               0
 C   -1.22480321       5.33529711       1.10585093               0
 C  -0.451991558       2.98065114       1.19361091               0
 C  -0.653139114       4.19280100      0.457604825               0
 C  -0.151424408       1.77829719      0.490648031               0
 C   -7.88605213E-02   1.79213595     -0.934728682               0
 C  -0.178102970     -0.666157305     -0.948390901               0
 C   -9.72993374E-02  0.572063267      -1.65479970               0
 C  -0.501630783      -1.86265850      -1.65446591               0
 C  -0.727911472      -1.80662799      -3.06887269               0
 C   -1.63616443      -4.10390711      -2.99380970               0
 C   -1.28385901      -2.94106293      -3.74758983               0
 C   -1.42623019       6.53064680      0.343163699               0
 C   -1.00312304       6.60837746     -0.972277462               0
 C  -0.373725653       4.24029398     -0.934722841               0
 C  -0.482842445       5.47666121      -1.64261556               0
 C   -9.85944271E-02   3.03197408      -1.64435029               0
 C    3.11601162E-02   3.06229091      -3.06021595               0
 C  -0.174703836      0.599919736      -3.08192515               0
 C   -4.87141609E-02   1.82695436      -3.79336333               0
 C  -0.499227285     -0.600934327      -3.78701425               0
 C  -0.692101002     -0.568158269      -5.20530367               0
 C   -1.51795554      -2.86117768      -5.15775442               0
 C   -1.18096805      -1.71971083      -5.86385250               0
 C  -0.135323524       5.49630642      -3.01898694               0
 C   0.116650343       4.33218622      -3.70052624               0
 C  -0.143366098       1.79941559      -5.21383476               0
 C  -0.456259727      0.649588227      -5.89342308               0
 H   -1.12559724       1.65301943       8.63169289               0
 H  -0.293393135     -0.350157380       7.48742008               0
 H   -2.01058388E-03  -2.00200009       6.50562525               0
 H   -2.45809555E-02  -4.08001089       5.28520250               0
 H  -0.336928368      -5.73604345       4.32459307               0
 H   -1.31145453      -7.66599798       3.17142963               0
 H   -1.77982450       3.68097496       7.33889484               0
 H   -1.97395444      -7.52018452      0.770607829               0
 H   -1.90740514       4.90205336       5.16869450               0
 H   -1.97498584      -6.26335001      -1.37993407               0
 H   -1.94420838       6.14238310       2.99774146               0
 H   -1.95451474      -5.00339127      -3.52999830               0
 H   -1.85120320       7.40752935      0.843183994               0
 H   -1.90316033      -3.74404740      -5.67867565               0
 H   -1.12267137       7.54542685      -1.52649212               0
 H  -0.112901211       6.45827627      -3.54086328               0
 H   0.350350618       4.38449812      -4.76579714               0
 H   -2.42469311E-02   2.72512960      -5.77838898               0
 H  -0.577837229      0.666103244      -6.98118496               0
 H   -1.33691192      -1.68445635      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.40895200     out: b-111-All-Rlx|gnp-2.80-0.00-4.98.out                        
 C  -0.999027729       1.66943645       12.5254192               0
 C  -0.517882586      0.538864374       11.8755484               0
 C   -1.43387318E-02  -1.95995665       10.3951159               0
 C   -2.25758553E-02  -3.14826703       9.69705772               0
 C  -0.594910860      -5.64414978       8.24869537               0
 C   -1.15084100      -6.73488092       7.60155535               0
 C   -1.36937737       2.80551529       11.8071594               0
 C   -1.18116069       2.85584807       10.4023438               0
 C  -0.378850222      0.509419680       10.4693899               0
 C  -0.640814066       1.69936466       9.72796917               0
 C   -9.72862244E-02 -0.714695692       9.73720551               0
 C   -5.96811771E-02 -0.705657840       8.31551552               0
 C  -0.111023188      -3.17894125       8.28924751               0
 C   -6.59449100E-02  -1.94154024       7.58845568               0
 C  -0.422317743      -4.40675306       7.57993984               0
 C  -0.693322659      -4.33795261       6.18430901               0
 C   -1.54612422      -6.65159035       6.25943375               0
 C   -1.27412724      -5.47582960       5.51235199               0
 C   -1.59072042       3.99399352       9.62658787               0
 C   -1.26390052       4.08831644       8.23698807               0
 C  -0.448614836       1.73479080       8.30637455               0
 C  -0.680543184       2.94070196       7.57598877               0
 C  -0.147649050      0.534987152       7.60137939               0
 C   -7.68282413E-02  0.544914126       6.17908955               0
 C  -0.162226677      -1.92246389       6.15760756               0
 C   -8.46216679E-02 -0.686877906       5.45364475               0
 C  -0.484756231      -3.11899900       5.45527220               0
 C  -0.725136042      -3.06745458       4.04803896               0
 C   -1.65217805      -5.36296320       4.13121176               0
 C   -1.30855107      -4.20578337       3.37210703               0
 C   -1.59808230       5.23957205       7.46460295               0
 C   -1.22480321       5.33529711       6.08585072               0
 C  -0.451991558       2.98065114       6.17361069               0
 C  -0.653139114       4.19280100       5.43760490               0
 C  -0.151424408       1.77829719       5.47064781               0
 C   -7.88605213E-02   1.79213595       4.04527140               0
 C  -0.178102970     -0.666157305       4.03160906               0
 C   -9.72993374E-02  0.572063267       3.32520032               0
 C  -0.501630783      -1.86265850       3.32553411               0
 C  -0.727911472      -1.80662799       1.91112733               0
 C   -1.63616443      -4.10390711       1.98619032               0
 C   -1.28385901      -2.94106293       1.23241019               0
 C   -1.42623019       6.53064680       5.32316351               0
 C   -1.00312304       6.60837746       4.00772238               0
 C  -0.373725653       4.24029398       4.04527712               0
 C  -0.482842445       5.47666121       3.33738446               0
 C   -9.85944271E-02   3.03197408       3.33564973               0
 C    3.11601162E-02   3.06229091       1.91978407               0
 C  -0.174703836      0.599919736       1.89807487               0
 C   -4.87141609E-02   1.82695436       1.18663669               0
 C  -0.499227285     -0.600934327       1.19298577               0
 C  -0.692101002     -0.568158269     -0.225303650               0
 C   -1.51795554      -2.86117768     -0.177754402               0
 C   -1.18096805      -1.71971083     -0.883852482               0
 C  -0.135323524       5.49630642       1.96101308               0
 C   0.116650343       4.33218622       1.27947378               0
 C  -0.143366098       1.79941559     -0.233834743               0
 C  -0.456259727      0.649588227     -0.913423061               0
 H   -1.12559724       1.65301943       13.6116924               0
 H  -0.293393135     -0.350157380       12.4674206               0
 H   -2.01058388E-03  -2.00200009       11.4856253               0
 H   -2.45809555E-02  -4.08001089       10.2652025               0
 H  -0.336928368      -5.73604345       9.30459309               0
 H   -1.31145453      -7.66599798       8.15143013               0
 H   -1.77982450       3.68097496       12.3188953               0
 H   -1.97395444      -7.52018452       5.75060797               0
 H   -1.90740514       4.90205336       10.1486950               0
 H   -1.97498584      -6.26335001       3.60006595               0
 H   -1.94420838       6.14238310       7.97774124               0
 H   -1.95451474      -5.00339127       1.45000172               0
 H   -1.85120320       7.40752935       5.82318401               0
 H   -1.90316033      -3.74404740     -0.698675632               0
 H   -1.12267137       7.54542685       3.45350790               0
 H  -0.112901211       6.45827627       1.43913674               0
 H   0.350350618       4.38449812      0.214202881               0
 H   -2.42469311E-02   2.72512960     -0.798388958               0
 H  -0.577837229      0.666103244      -2.00118494               0
 H   -1.33691192      -1.68445635      -1.96703482               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -3.70404863     out: b-111-All-Rlx|gnp-2.80-0.84-0.00.out                        
 C  -0.999027729       2.50943637       7.54541874               0
 C  -0.517882586       1.37886429       6.89554834               0
 C   -1.43387318E-02  -1.11995673       5.41511583               0
 C   -2.25758553E-02  -2.30826712       4.71705818               0
 C  -0.594910860      -4.80414963       3.26869488               0
 C   -1.15084100      -5.89488077       2.62155533               0
 C   -1.36937737       3.64551520       6.82715893               0
 C   -1.18116069       3.69584799       5.42234373               0
 C  -0.378850222       1.34941959       5.48938990               0
 C  -0.640814066       2.53936458       4.74796915               0
 C   -9.72862244E-02  0.125304282       4.75720549               0
 C   -5.96811771E-02  0.134342134       3.33551526               0
 C  -0.111023188      -2.33894134       3.30924726               0
 C   -6.59449100E-02  -1.10154033       2.60845566               0
 C  -0.422317743      -3.56675315       2.59994006               0
 C  -0.693322659      -3.49795270       1.20430911               0
 C   -1.54612422      -5.81159019       1.27943373               0
 C   -1.27412724      -4.63582945      0.532352090               0
 C   -1.59072042       4.83399343       4.64658785               0
 C   -1.26390052       4.92831659       3.25698781               0
 C  -0.448614836       2.57479072       3.32637429               0
 C  -0.680543184       3.78070188       2.59598851               0
 C  -0.147649050       1.37498713       2.62137914               0
 C   -7.68282413E-02   1.38491416       1.19908977               0
 C  -0.162226677      -1.08246398       1.17760742               0
 C   -8.46216679E-02  0.153122067      0.473644763               0
 C  -0.484756231      -2.27899909      0.475272119               0
 C  -0.725136042      -2.22745466     -0.931961000               0
 C   -1.65217805      -4.52296305     -0.848788440               0
 C   -1.30855107      -3.36578345      -1.60789299               0
 C   -1.59808230       6.07957220       2.48460293               0
 C   -1.22480321       6.17529726       1.10585093               0
 C  -0.451991558       3.82065105       1.19361091               0
 C  -0.653139114       5.03280115      0.457604825               0
 C  -0.151424408       2.61829710      0.490648031               0
 C   -7.88605213E-02   2.63213587     -0.934728682               0
 C  -0.178102970      0.173842669     -0.948390901               0
 C   -9.72993374E-02   1.41206324      -1.65479970               0
 C  -0.501630783      -1.02265859      -1.65446591               0
 C  -0.727911472     -0.966628015      -3.06887269               0
 C   -1.63616443      -3.26390719      -2.99380970               0
 C   -1.28385901      -2.10106301      -3.74758983               0
 C   -1.42623019       7.37064695      0.343163699               0
 C   -1.00312304       7.44837761     -0.972277462               0
 C  -0.373725653       5.08029413     -0.934722841               0
 C  -0.482842445       6.31666136      -1.64261556               0
 C   -9.85944271E-02   3.87197399      -1.64435029               0
 C    3.11601162E-02   3.90229082      -3.06021595               0
 C  -0.174703836       1.43991971      -3.08192515               0
 C   -4.87141609E-02   2.66695428      -3.79336333               0
 C  -0.499227285      0.239065647      -3.78701425               0
 C  -0.692101002      0.271841705      -5.20530367               0
 C   -1.51795554      -2.02117777      -5.15775442               0
 C   -1.18096805     -0.879710853      -5.86385250               0
 C  -0.135323524       6.33630657      -3.01898694               0
 C   0.116650343       5.17218637      -3.70052624               0
 C  -0.143366098       2.63941550      -5.21383476               0
 C  -0.456259727       1.48958826      -5.89342308               0
 H   -1.12559724       2.49301934       8.63169289               0
 H  -0.293393135      0.489842594       7.48742008               0
 H   -2.01058388E-03  -1.16200018       6.50562525               0
 H   -2.45809555E-02  -3.24001098       5.28520250               0
 H  -0.336928368      -4.89604330       4.32459307               0
 H   -1.31145453      -6.82599783       3.17142963               0
 H   -1.77982450       4.52097511       7.33889484               0
 H   -1.97395444      -6.68018436      0.770607829               0
 H   -1.90740514       5.74205351       5.16869450               0
 H   -1.97498584      -5.42334986      -1.37993407               0
 H   -1.94420838       6.98238325       2.99774146               0
 H   -1.95451474      -4.16339111      -3.52999830               0
 H   -1.85120320       8.24752903      0.843183994               0
 H   -1.90316033      -2.90404749      -5.67867565               0
 H   -1.12267137       8.38542652      -1.52649212               0
 H  -0.112901211       7.29827642      -3.54086328               0
 H   0.350350618       5.22449827      -4.76579714               0
 H   -2.42469311E-02   3.56512952      -5.77838898               0
 H  -0.577837229       1.50610328      -6.98118496               0
 H   -1.33691192     -0.844456375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -3.71485329     out: b-111-All-Rlx|gnp-2.80--1.25-2.16.out                       
 C  -0.999027729      0.419436455       9.70541859               0
 C  -0.517882586     -0.711135626       9.05554867               0
 C   -1.43387318E-02  -3.20995665       7.57511616               0
 C   -2.25758553E-02  -4.39826679       6.87705803               0
 C  -0.594910860      -6.89414978       5.42869473               0
 C   -1.15084100      -7.98488092       4.78155518               0
 C   -1.36937737       1.55551529       8.98715878               0
 C   -1.18116069       1.60584807       7.58234406               0
 C  -0.378850222     -0.740580320       7.64939022               0
 C  -0.640814066      0.449364662       6.90796947               0
 C   -9.72862244E-02  -1.96469569       6.91720581               0
 C   -5.96811771E-02  -1.95565784       5.49551535               0
 C  -0.111023188      -4.42894125       5.46924734               0
 C   -6.59449100E-02  -3.19154024       4.76845551               0
 C  -0.422317743      -5.65675306       4.75994015               0
 C  -0.693322659      -5.58795261       3.36430931               0
 C   -1.54612422      -7.90159035       3.43943381               0
 C   -1.27412724      -6.72582960       2.69235229               0
 C   -1.59072042       2.74399352       6.80658817               0
 C   -1.26390052       2.83831644       5.41698790               0
 C  -0.448614836      0.484790802       5.48637438               0
 C  -0.680543184       1.69070196       4.75598860               0
 C  -0.147649050     -0.715012848       4.78137922               0
 C   -7.68282413E-02 -0.705085874       3.35908985               0
 C  -0.162226677      -3.17246389       3.33760738               0
 C   -8.46216679E-02  -1.93687797       2.63364482               0
 C  -0.484756231      -4.36899900       2.63527226               0
 C  -0.725136042      -4.31745434       1.22803903               0
 C   -1.65217805      -6.61296320       1.31121159               0
 C   -1.30855107      -5.45578337      0.552107096               0
 C   -1.59808230       3.98957205       4.64460278               0
 C   -1.22480321       4.08529711       3.26585102               0
 C  -0.451991558       1.73065114       3.35361099               0
 C  -0.653139114       2.94280100       2.61760497               0
 C  -0.151424408      0.528297186       2.65064812               0
 C   -7.88605213E-02  0.542135954       1.22527146               0
 C  -0.178102970      -1.91615725       1.21160913               0
 C   -9.72993374E-02 -0.677936733      0.505200386               0
 C  -0.501630783      -3.11265850      0.505534172               0
 C  -0.727911472      -3.05662799     -0.908872604               0
 C   -1.63616443      -5.35390711     -0.833809614               0
 C   -1.28385901      -4.19106293      -1.58758974               0
 C   -1.42623019       5.28064680       2.50316381               0
 C   -1.00312304       5.35837746       1.18772268               0
 C  -0.373725653       2.99029398       1.22527719               0
 C  -0.482842445       4.22666121      0.517384529               0
 C   -9.85944271E-02   1.78197408      0.515649796               0
 C    3.11601162E-02   1.81229091     -0.900215864               0
 C  -0.174703836     -0.650080264     -0.921925068               0
 C   -4.87141609E-02  0.576954365      -1.63336325               0
 C  -0.499227285      -1.85093427      -1.62701416               0
 C  -0.692101002      -1.81815827      -3.04530358               0
 C   -1.51795554      -4.11117744      -2.99775434               0
 C   -1.18096805      -2.96971083      -3.70385242               0
 C  -0.135323524       4.24630642     -0.858986855               0
 C   0.116650343       3.08218622      -1.54052615               0
 C  -0.143366098      0.549415588      -3.05383468               0
 C  -0.456259727     -0.600411773      -3.73342299               0
 H   -1.12559724      0.403019428       10.7916927               0
 H  -0.293393135      -1.60015738       9.64741993               0
 H   -2.01058388E-03  -3.25200009       8.66562557               0
 H   -2.45809555E-02  -5.33001089       7.44520283               0
 H  -0.336928368      -6.98604345       6.48459339               0
 H   -1.31145453      -8.91599846       5.33142948               0
 H   -1.77982450       2.43097496       9.49889469               0
 H   -1.97395444      -8.77018452       2.93060780               0
 H   -1.90740514       3.65205336       7.32869434               0
 H   -1.97498584      -7.51335001      0.780066013               0
 H   -1.94420838       4.89238310       5.15774155               0
 H   -1.95451474      -6.25339127      -1.36999822               0
 H   -1.85120320       6.15752935       3.00318408               0
 H   -1.90316033      -4.99404716      -3.51867557               0
 H   -1.12267137       6.29542685      0.633507967               0
 H  -0.112901211       5.20827627      -1.38086319               0
 H   0.350350618       3.13449812      -2.60579705               0
 H   -2.42469311E-02   1.47512960      -3.61838889               0
 H  -0.577837229     -0.583896756      -4.82118511               0
 H   -1.33691192      -2.93445635      -4.78703499               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.68083251     out: b-111-All-Rlx|gnp-2.80-2.90-0.00.out                        
 C  -0.999027729       4.56943655       7.54541874               0
 C  -0.517882586       3.43886447       6.89554834               0
 C   -1.43387318E-02  0.940043449       5.41511583               0
 C   -2.25758553E-02 -0.248266935       4.71705818               0
 C  -0.594910860      -2.74414968       3.26869488               0
 C   -1.15084100      -3.83488083       2.62155533               0
 C   -1.36937737       5.70551538       6.82715893               0
 C   -1.18116069       5.75584793       5.42234373               0
 C  -0.378850222       3.40941978       5.48938990               0
 C  -0.640814066       4.59936476       4.74796915               0
 C   -9.72862244E-02   2.18530440       4.75720549               0
 C   -5.96811771E-02   2.19434214       3.33551526               0
 C  -0.111023188     -0.278941154       3.30924726               0
 C   -6.59449100E-02  0.958459854       2.60845566               0
 C  -0.422317743      -1.50675297       2.59994006               0
 C  -0.693322659      -1.43795252       1.20430911               0
 C   -1.54612422      -3.75159025       1.27943373               0
 C   -1.27412724      -2.57582951      0.532352090               0
 C   -1.59072042       6.89399338       4.64658785               0
 C   -1.26390052       6.98831654       3.25698781               0
 C  -0.448614836       4.63479090       3.32637429               0
 C  -0.680543184       5.84070206       2.59598851               0
 C  -0.147649050       3.43498731       2.62137914               0
 C   -7.68282413E-02   3.44491434       1.19908977               0
 C  -0.162226677      0.977536201       1.17760742               0
 C   -8.46216679E-02   2.21312213      0.473644763               0
 C  -0.484756231     -0.218998909      0.475272119               0
 C  -0.725136042     -0.167454481     -0.931961000               0
 C   -1.65217805      -2.46296310     -0.848788440               0
 C   -1.30855107      -1.30578327      -1.60789299               0
 C   -1.59808230       8.13957214       2.48460293               0
 C   -1.22480321       8.23529720       1.10585093               0
 C  -0.451991558       5.88065147       1.19361091               0
 C  -0.653139114       7.09280109      0.457604825               0
 C  -0.151424408       4.67829704      0.490648031               0
 C   -7.88605213E-02   4.69213581     -0.934728682               0
 C  -0.178102970       2.23384285     -0.948390901               0
 C   -9.72993374E-02   3.47206330      -1.65479970               0
 C  -0.501630783       1.03734159      -1.65446591               0
 C  -0.727911472       1.09337211      -3.06887269               0
 C   -1.63616443      -1.20390701      -2.99380970               0
 C   -1.28385901      -4.10628319E-02  -3.74758983               0
 C   -1.42623019       9.43064690      0.343163699               0
 C   -1.00312304       9.50837708     -0.972277462               0
 C  -0.373725653       7.14029408     -0.934722841               0
 C  -0.482842445       8.37666130      -1.64261556               0
 C   -9.85944271E-02   5.93197441      -1.64435029               0
 C    3.11601162E-02   5.96229076      -3.06021595               0
 C  -0.174703836       3.49991989      -3.08192515               0
 C   -4.87141609E-02   4.72695446      -3.79336333               0
 C  -0.499227285       2.29906583      -3.78701425               0
 C  -0.692101002       2.33184195      -5.20530367               0
 C   -1.51795554       3.88224125E-02  -5.15775442               0
 C   -1.18096805       1.18028927      -5.86385250               0
 C  -0.135323524       8.39630699      -3.01898694               0
 C   0.116650343       7.23218632      -3.70052624               0
 C  -0.143366098       4.69941568      -5.21383476               0
 C  -0.456259727       3.54958820      -5.89342308               0
 H   -1.12559724       4.55301952       8.63169289               0
 H  -0.293393135       2.54984283       7.48742008               0
 H   -2.01058388E-03  0.898000002       6.50562525               0
 H   -2.45809555E-02  -1.18001080       5.28520250               0
 H  -0.336928368      -2.83604336       4.32459307               0
 H   -1.31145453      -4.76599789       3.17142963               0
 H   -1.77982450       6.58097506       7.33889484               0
 H   -1.97395444      -4.62018442      0.770607829               0
 H   -1.90740514       7.80205345       5.16869450               0
 H   -1.97498584      -3.36334991      -1.37993407               0
 H   -1.94420838       9.04238319       2.99774146               0
 H   -1.95451474      -2.10339117      -3.52999830               0
 H   -1.85120320       10.3075294      0.843183994               0
 H   -1.90316033     -0.844047308      -5.67867565               0
 H   -1.12267137       10.4454269      -1.52649212               0
 H  -0.112901211       9.35827637      -3.54086328               0
 H   0.350350618       7.28449821      -4.76579714               0
 H   -2.42469311E-02   5.62512970      -5.77838898               0
 H  -0.577837229       3.56610346      -6.98118496               0
 H   -1.33691192       1.21554375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -3.93446112     out: b-111-All-Rlx|gnp-3.00-0.00-0.00.out                        
 C  -0.799027681       1.66943645       7.54541874               0
 C  -0.317882538      0.538864374       6.89554834               0
 C   0.185661316      -1.95995665       5.41511583               0
 C   0.177424192      -3.14826703       4.71705818               0
 C  -0.394910812      -5.64414978       3.26869488               0
 C  -0.950840950      -6.73488092       2.62155533               0
 C   -1.16937733       2.80551529       6.82715893               0
 C  -0.981160641       2.85584807       5.42234373               0
 C  -0.178850174      0.509419680       5.48938990               0
 C  -0.440814018       1.69936466       4.74796915               0
 C   0.102713823     -0.714695692       4.75720549               0
 C   0.140318871     -0.705657840       3.33551526               0
 C    8.89768600E-02  -3.17894125       3.30924726               0
 C   0.134055138      -1.94154024       2.60845566               0
 C  -0.222317696      -4.40675306       2.59994006               0
 C  -0.493322611      -4.33795261       1.20430911               0
 C   -1.34612417      -6.65159035       1.27943373               0
 C   -1.07412720      -5.47582960      0.532352090               0
 C   -1.39072037       3.99399352       4.64658785               0
 C   -1.06390047       4.08831644       3.25698781               0
 C  -0.248614788       1.73479080       3.32637429               0
 C  -0.480543137       2.94070196       2.59598851               0
 C    5.23509979E-02  0.534987152       2.62137914               0
 C   0.123171806      0.544914126       1.19908977               0
 C    3.77733707E-02  -1.92246389       1.17760742               0
 C   0.115378380     -0.686877906      0.473644763               0
 C  -0.284756184      -3.11899900      0.475272119               0
 C  -0.525135994      -3.06745458     -0.931961000               0
 C   -1.45217800      -5.36296320     -0.848788440               0
 C   -1.10855103      -4.20578337      -1.60789299               0
 C   -1.39808226       5.23957205       2.48460293               0
 C   -1.02480316       5.33529711       1.10585093               0
 C  -0.251991510       2.98065114       1.19361091               0
 C  -0.453139067       4.19280100      0.457604825               0
 C    4.85756397E-02   1.77829719      0.490648031               0
 C   0.121139526       1.79213595     -0.934728682               0
 C    2.18970776E-02 -0.666157305     -0.948390901               0
 C   0.102700710      0.572063267      -1.65479970               0
 C  -0.301630735      -1.86265850      -1.65446591               0
 C  -0.527911425      -1.80662799      -3.06887269               0
 C   -1.43616438      -4.10390711      -2.99380970               0
 C   -1.08385897      -2.94106293      -3.74758983               0
 C   -1.22623014       6.53064680      0.343163699               0
 C  -0.803122997       6.60837746     -0.972277462               0
 C  -0.173725605       4.24029398     -0.934722841               0
 C  -0.282842398       5.47666121      -1.64261556               0
 C   0.101405621       3.03197408      -1.64435029               0
 C   0.231160164       3.06229091      -3.06021595               0
 C    2.52962112E-02  0.599919736      -3.08192515               0
 C   0.151285887       1.82695436      -3.79336333               0
 C  -0.299227238     -0.600934327      -3.78701425               0
 C  -0.492100954     -0.568158269      -5.20530367               0
 C   -1.31795549      -2.86117768      -5.15775442               0
 C  -0.980967999      -1.71971083      -5.86385250               0
 C    6.46765232E-02   5.49630642      -3.01898694               0
 C   0.316650391       4.33218622      -3.70052624               0
 C    5.66339493E-02   1.79941559      -5.21383476               0
 C  -0.256259680      0.649588227      -5.89342308               0
 H  -0.925597191       1.65301943       8.63169289               0
 H   -9.33930874E-02 -0.350157380       7.48742008               0
 H   0.197989464      -2.00200009       6.50562525               0
 H   0.175419092      -4.08001089       5.28520250               0
 H  -0.136928320      -5.73604345       4.32459307               0
 H   -1.11145449      -7.66599798       3.17142963               0
 H   -1.57982445       3.68097496       7.33889484               0
 H   -1.77395439      -7.52018452      0.770607829               0
 H   -1.70740509       4.90205336       5.16869450               0
 H   -1.77498579      -6.26335001      -1.37993407               0
 H   -1.74420834       6.14238310       2.99774146               0
 H   -1.75451469      -5.00339127      -3.52999830               0
 H   -1.65120316       7.40752935      0.843183994               0
 H   -1.70316029      -3.74404740      -5.67867565               0
 H  -0.922671318       7.54542685      -1.52649212               0
 H    8.70988369E-02   6.45827627      -3.54086328               0
 H   0.550350666       4.38449812      -4.76579714               0
 H   0.175753117       2.72512960      -5.77838898               0
 H  -0.377837181      0.666103244      -6.98118496               0
 H   -1.13691187      -1.68445635      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.56664348     out: b-111-All-Rlx|gnp-3.00-0.00-4.98.out                        
 C  -0.799027681       1.66943645       12.5254192               0
 C  -0.317882538      0.538864374       11.8755484               0
 C   0.185661316      -1.95995665       10.3951159               0
 C   0.177424192      -3.14826703       9.69705772               0
 C  -0.394910812      -5.64414978       8.24869537               0
 C  -0.950840950      -6.73488092       7.60155535               0
 C   -1.16937733       2.80551529       11.8071594               0
 C  -0.981160641       2.85584807       10.4023438               0
 C  -0.178850174      0.509419680       10.4693899               0
 C  -0.440814018       1.69936466       9.72796917               0
 C   0.102713823     -0.714695692       9.73720551               0
 C   0.140318871     -0.705657840       8.31551552               0
 C    8.89768600E-02  -3.17894125       8.28924751               0
 C   0.134055138      -1.94154024       7.58845568               0
 C  -0.222317696      -4.40675306       7.57993984               0
 C  -0.493322611      -4.33795261       6.18430901               0
 C   -1.34612417      -6.65159035       6.25943375               0
 C   -1.07412720      -5.47582960       5.51235199               0
 C   -1.39072037       3.99399352       9.62658787               0
 C   -1.06390047       4.08831644       8.23698807               0
 C  -0.248614788       1.73479080       8.30637455               0
 C  -0.480543137       2.94070196       7.57598877               0
 C    5.23509979E-02  0.534987152       7.60137939               0
 C   0.123171806      0.544914126       6.17908955               0
 C    3.77733707E-02  -1.92246389       6.15760756               0
 C   0.115378380     -0.686877906       5.45364475               0
 C  -0.284756184      -3.11899900       5.45527220               0
 C  -0.525135994      -3.06745458       4.04803896               0
 C   -1.45217800      -5.36296320       4.13121176               0
 C   -1.10855103      -4.20578337       3.37210703               0
 C   -1.39808226       5.23957205       7.46460295               0
 C   -1.02480316       5.33529711       6.08585072               0
 C  -0.251991510       2.98065114       6.17361069               0
 C  -0.453139067       4.19280100       5.43760490               0
 C    4.85756397E-02   1.77829719       5.47064781               0
 C   0.121139526       1.79213595       4.04527140               0
 C    2.18970776E-02 -0.666157305       4.03160906               0
 C   0.102700710      0.572063267       3.32520032               0
 C  -0.301630735      -1.86265850       3.32553411               0
 C  -0.527911425      -1.80662799       1.91112733               0
 C   -1.43616438      -4.10390711       1.98619032               0
 C   -1.08385897      -2.94106293       1.23241019               0
 C   -1.22623014       6.53064680       5.32316351               0
 C  -0.803122997       6.60837746       4.00772238               0
 C  -0.173725605       4.24029398       4.04527712               0
 C  -0.282842398       5.47666121       3.33738446               0
 C   0.101405621       3.03197408       3.33564973               0
 C   0.231160164       3.06229091       1.91978407               0
 C    2.52962112E-02  0.599919736       1.89807487               0
 C   0.151285887       1.82695436       1.18663669               0
 C  -0.299227238     -0.600934327       1.19298577               0
 C  -0.492100954     -0.568158269     -0.225303650               0
 C   -1.31795549      -2.86117768     -0.177754402               0
 C  -0.980967999      -1.71971083     -0.883852482               0
 C    6.46765232E-02   5.49630642       1.96101308               0
 C   0.316650391       4.33218622       1.27947378               0
 C    5.66339493E-02   1.79941559     -0.233834743               0
 C  -0.256259680      0.649588227     -0.913423061               0
 H  -0.925597191       1.65301943       13.6116924               0
 H   -9.33930874E-02 -0.350157380       12.4674206               0
 H   0.197989464      -2.00200009       11.4856253               0
 H   0.175419092      -4.08001089       10.2652025               0
 H  -0.136928320      -5.73604345       9.30459309               0
 H   -1.11145449      -7.66599798       8.15143013               0
 H   -1.57982445       3.68097496       12.3188953               0
 H   -1.77395439      -7.52018452       5.75060797               0
 H   -1.70740509       4.90205336       10.1486950               0
 H   -1.77498579      -6.26335001       3.60006595               0
 H   -1.74420834       6.14238310       7.97774124               0
 H   -1.75451469      -5.00339127       1.45000172               0
 H   -1.65120316       7.40752935       5.82318401               0
 H   -1.70316029      -3.74404740     -0.698675632               0
 H  -0.922671318       7.54542685       3.45350790               0
 H    8.70988369E-02   6.45827627       1.43913674               0
 H   0.550350666       4.38449812      0.214202881               0
 H   0.175753117       2.72512960     -0.798388958               0
 H  -0.377837181      0.666103244      -2.00118494               0
 H   -1.13691187      -1.68445635      -1.96703482               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -3.40627980     out: b-111-All-Rlx|gnp-3.00-0.84-0.00.out                        
 C  -0.799027681       2.50943637       7.54541874               0
 C  -0.317882538       1.37886429       6.89554834               0
 C   0.185661316      -1.11995673       5.41511583               0
 C   0.177424192      -2.30826712       4.71705818               0
 C  -0.394910812      -4.80414963       3.26869488               0
 C  -0.950840950      -5.89488077       2.62155533               0
 C   -1.16937733       3.64551520       6.82715893               0
 C  -0.981160641       3.69584799       5.42234373               0
 C  -0.178850174       1.34941959       5.48938990               0
 C  -0.440814018       2.53936458       4.74796915               0
 C   0.102713823      0.125304282       4.75720549               0
 C   0.140318871      0.134342134       3.33551526               0
 C    8.89768600E-02  -2.33894134       3.30924726               0
 C   0.134055138      -1.10154033       2.60845566               0
 C  -0.222317696      -3.56675315       2.59994006               0
 C  -0.493322611      -3.49795270       1.20430911               0
 C   -1.34612417      -5.81159019       1.27943373               0
 C   -1.07412720      -4.63582945      0.532352090               0
 C   -1.39072037       4.83399343       4.64658785               0
 C   -1.06390047       4.92831659       3.25698781               0
 C  -0.248614788       2.57479072       3.32637429               0
 C  -0.480543137       3.78070188       2.59598851               0
 C    5.23509979E-02   1.37498713       2.62137914               0
 C   0.123171806       1.38491416       1.19908977               0
 C    3.77733707E-02  -1.08246398       1.17760742               0
 C   0.115378380      0.153122067      0.473644763               0
 C  -0.284756184      -2.27899909      0.475272119               0
 C  -0.525135994      -2.22745466     -0.931961000               0
 C   -1.45217800      -4.52296305     -0.848788440               0
 C   -1.10855103      -3.36578345      -1.60789299               0
 C   -1.39808226       6.07957220       2.48460293               0
 C   -1.02480316       6.17529726       1.10585093               0
 C  -0.251991510       3.82065105       1.19361091               0
 C  -0.453139067       5.03280115      0.457604825               0
 C    4.85756397E-02   2.61829710      0.490648031               0
 C   0.121139526       2.63213587     -0.934728682               0
 C    2.18970776E-02  0.173842669     -0.948390901               0
 C   0.102700710       1.41206324      -1.65479970               0
 C  -0.301630735      -1.02265859      -1.65446591               0
 C  -0.527911425     -0.966628015      -3.06887269               0
 C   -1.43616438      -3.26390719      -2.99380970               0
 C   -1.08385897      -2.10106301      -3.74758983               0
 C   -1.22623014       7.37064695      0.343163699               0
 C  -0.803122997       7.44837761     -0.972277462               0
 C  -0.173725605       5.08029413     -0.934722841               0
 C  -0.282842398       6.31666136      -1.64261556               0
 C   0.101405621       3.87197399      -1.64435029               0
 C   0.231160164       3.90229082      -3.06021595               0
 C    2.52962112E-02   1.43991971      -3.08192515               0
 C   0.151285887       2.66695428      -3.79336333               0
 C  -0.299227238      0.239065647      -3.78701425               0
 C  -0.492100954      0.271841705      -5.20530367               0
 C   -1.31795549      -2.02117777      -5.15775442               0
 C  -0.980967999     -0.879710853      -5.86385250               0
 C    6.46765232E-02   6.33630657      -3.01898694               0
 C   0.316650391       5.17218637      -3.70052624               0
 C    5.66339493E-02   2.63941550      -5.21383476               0
 C  -0.256259680       1.48958826      -5.89342308               0
 H  -0.925597191       2.49301934       8.63169289               0
 H   -9.33930874E-02  0.489842594       7.48742008               0
 H   0.197989464      -1.16200018       6.50562525               0
 H   0.175419092      -3.24001098       5.28520250               0
 H  -0.136928320      -4.89604330       4.32459307               0
 H   -1.11145449      -6.82599783       3.17142963               0
 H   -1.57982445       4.52097511       7.33889484               0
 H   -1.77395439      -6.68018436      0.770607829               0
 H   -1.70740509       5.74205351       5.16869450               0
 H   -1.77498579      -5.42334986      -1.37993407               0
 H   -1.74420834       6.98238325       2.99774146               0
 H   -1.75451469      -4.16339111      -3.52999830               0
 H   -1.65120316       8.24752903      0.843183994               0
 H   -1.70316029      -2.90404749      -5.67867565               0
 H  -0.922671318       8.38542652      -1.52649212               0
 H    8.70988369E-02   7.29827642      -3.54086328               0
 H   0.550350666       5.22449827      -4.76579714               0
 H   0.175753117       3.56512952      -5.77838898               0
 H  -0.377837181       1.50610328      -6.98118496               0
 H   -1.13691187     -0.844456375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -3.26767182     out: b-111-All-Rlx|gnp-3.00--1.25-2.16.out                       
 C  -0.799027681      0.419436455       9.70541859               0
 C  -0.317882538     -0.711135626       9.05554867               0
 C   0.185661316      -3.20995665       7.57511616               0
 C   0.177424192      -4.39826679       6.87705803               0
 C  -0.394910812      -6.89414978       5.42869473               0
 C  -0.950840950      -7.98488092       4.78155518               0
 C   -1.16937733       1.55551529       8.98715878               0
 C  -0.981160641       1.60584807       7.58234406               0
 C  -0.178850174     -0.740580320       7.64939022               0
 C  -0.440814018      0.449364662       6.90796947               0
 C   0.102713823      -1.96469569       6.91720581               0
 C   0.140318871      -1.95565784       5.49551535               0
 C    8.89768600E-02  -4.42894125       5.46924734               0
 C   0.134055138      -3.19154024       4.76845551               0
 C  -0.222317696      -5.65675306       4.75994015               0
 C  -0.493322611      -5.58795261       3.36430931               0
 C   -1.34612417      -7.90159035       3.43943381               0
 C   -1.07412720      -6.72582960       2.69235229               0
 C   -1.39072037       2.74399352       6.80658817               0
 C   -1.06390047       2.83831644       5.41698790               0
 C  -0.248614788      0.484790802       5.48637438               0
 C  -0.480543137       1.69070196       4.75598860               0
 C    5.23509979E-02 -0.715012848       4.78137922               0
 C   0.123171806     -0.705085874       3.35908985               0
 C    3.77733707E-02  -3.17246389       3.33760738               0
 C   0.115378380      -1.93687797       2.63364482               0
 C  -0.284756184      -4.36899900       2.63527226               0
 C  -0.525135994      -4.31745434       1.22803903               0
 C   -1.45217800      -6.61296320       1.31121159               0
 C   -1.10855103      -5.45578337      0.552107096               0
 C   -1.39808226       3.98957205       4.64460278               0
 C   -1.02480316       4.08529711       3.26585102               0
 C  -0.251991510       1.73065114       3.35361099               0
 C  -0.453139067       2.94280100       2.61760497               0
 C    4.85756397E-02  0.528297186       2.65064812               0
 C   0.121139526      0.542135954       1.22527146               0
 C    2.18970776E-02  -1.91615725       1.21160913               0
 C   0.102700710     -0.677936733      0.505200386               0
 C  -0.301630735      -3.11265850      0.505534172               0
 C  -0.527911425      -3.05662799     -0.908872604               0
 C   -1.43616438      -5.35390711     -0.833809614               0
 C   -1.08385897      -4.19106293      -1.58758974               0
 C   -1.22623014       5.28064680       2.50316381               0
 C  -0.803122997       5.35837746       1.18772268               0
 C  -0.173725605       2.99029398       1.22527719               0
 C  -0.282842398       4.22666121      0.517384529               0
 C   0.101405621       1.78197408      0.515649796               0
 C   0.231160164       1.81229091     -0.900215864               0
 C    2.52962112E-02 -0.650080264     -0.921925068               0
 C   0.151285887      0.576954365      -1.63336325               0
 C  -0.299227238      -1.85093427      -1.62701416               0
 C  -0.492100954      -1.81815827      -3.04530358               0
 C   -1.31795549      -4.11117744      -2.99775434               0
 C  -0.980967999      -2.96971083      -3.70385242               0
 C    6.46765232E-02   4.24630642     -0.858986855               0
 C   0.316650391       3.08218622      -1.54052615               0
 C    5.66339493E-02  0.549415588      -3.05383468               0
 C  -0.256259680     -0.600411773      -3.73342299               0
 H  -0.925597191      0.403019428       10.7916927               0
 H   -9.33930874E-02  -1.60015738       9.64741993               0
 H   0.197989464      -3.25200009       8.66562557               0
 H   0.175419092      -5.33001089       7.44520283               0
 H  -0.136928320      -6.98604345       6.48459339               0
 H   -1.11145449      -8.91599846       5.33142948               0
 H   -1.57982445       2.43097496       9.49889469               0
 H   -1.77395439      -8.77018452       2.93060780               0
 H   -1.70740509       3.65205336       7.32869434               0
 H   -1.77498579      -7.51335001      0.780066013               0
 H   -1.74420834       4.89238310       5.15774155               0
 H   -1.75451469      -6.25339127      -1.36999822               0
 H   -1.65120316       6.15752935       3.00318408               0
 H   -1.70316029      -4.99404716      -3.51867557               0
 H  -0.922671318       6.29542685      0.633507967               0
 H    8.70988369E-02   5.20827627      -1.38086319               0
 H   0.550350666       3.13449812      -2.60579705               0
 H   0.175753117       1.47512960      -3.61838889               0
 H  -0.377837181     -0.583896756      -4.82118511               0
 H   -1.13691187      -2.93445635      -4.78703499               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.93357563     out: b-111-All-Rlx|gnp-3.00-2.90-0.00.out                        
 C  -0.799027681       4.56943655       7.54541874               0
 C  -0.317882538       3.43886447       6.89554834               0
 C   0.185661316      0.940043449       5.41511583               0
 C   0.177424192     -0.248266935       4.71705818               0
 C  -0.394910812      -2.74414968       3.26869488               0
 C  -0.950840950      -3.83488083       2.62155533               0
 C   -1.16937733       5.70551538       6.82715893               0
 C  -0.981160641       5.75584793       5.42234373               0
 C  -0.178850174       3.40941978       5.48938990               0
 C  -0.440814018       4.59936476       4.74796915               0
 C   0.102713823       2.18530440       4.75720549               0
 C   0.140318871       2.19434214       3.33551526               0
 C    8.89768600E-02 -0.278941154       3.30924726               0
 C   0.134055138      0.958459854       2.60845566               0
 C  -0.222317696      -1.50675297       2.59994006               0
 C  -0.493322611      -1.43795252       1.20430911               0
 C   -1.34612417      -3.75159025       1.27943373               0
 C   -1.07412720      -2.57582951      0.532352090               0
 C   -1.39072037       6.89399338       4.64658785               0
 C   -1.06390047       6.98831654       3.25698781               0
 C  -0.248614788       4.63479090       3.32637429               0
 C  -0.480543137       5.84070206       2.59598851               0
 C    5.23509979E-02   3.43498731       2.62137914               0
 C   0.123171806       3.44491434       1.19908977               0
 C    3.77733707E-02  0.977536201       1.17760742               0
 C   0.115378380       2.21312213      0.473644763               0
 C  -0.284756184     -0.218998909      0.475272119               0
 C  -0.525135994     -0.167454481     -0.931961000               0
 C   -1.45217800      -2.46296310     -0.848788440               0
 C   -1.10855103      -1.30578327      -1.60789299               0
 C   -1.39808226       8.13957214       2.48460293               0
 C   -1.02480316       8.23529720       1.10585093               0
 C  -0.251991510       5.88065147       1.19361091               0
 C  -0.453139067       7.09280109      0.457604825               0
 C    4.85756397E-02   4.67829704      0.490648031               0
 C   0.121139526       4.69213581     -0.934728682               0
 C    2.18970776E-02   2.23384285     -0.948390901               0
 C   0.102700710       3.47206330      -1.65479970               0
 C  -0.301630735       1.03734159      -1.65446591               0
 C  -0.527911425       1.09337211      -3.06887269               0
 C   -1.43616438      -1.20390701      -2.99380970               0
 C   -1.08385897      -4.10628319E-02  -3.74758983               0
 C   -1.22623014       9.43064690      0.343163699               0
 C  -0.803122997       9.50837708     -0.972277462               0
 C  -0.173725605       7.14029408     -0.934722841               0
 C  -0.282842398       8.37666130      -1.64261556               0
 C   0.101405621       5.93197441      -1.64435029               0
 C   0.231160164       5.96229076      -3.06021595               0
 C    2.52962112E-02   3.49991989      -3.08192515               0
 C   0.151285887       4.72695446      -3.79336333               0
 C  -0.299227238       2.29906583      -3.78701425               0
 C  -0.492100954       2.33184195      -5.20530367               0
 C   -1.31795549       3.88224125E-02  -5.15775442               0
 C  -0.980967999       1.18028927      -5.86385250               0
 C    6.46765232E-02   8.39630699      -3.01898694               0
 C   0.316650391       7.23218632      -3.70052624               0
 C    5.66339493E-02   4.69941568      -5.21383476               0
 C  -0.256259680       3.54958820      -5.89342308               0
 H  -0.925597191       4.55301952       8.63169289               0
 H   -9.33930874E-02   2.54984283       7.48742008               0
 H   0.197989464      0.898000002       6.50562525               0
 H   0.175419092      -1.18001080       5.28520250               0
 H  -0.136928320      -2.83604336       4.32459307               0
 H   -1.11145449      -4.76599789       3.17142963               0
 H   -1.57982445       6.58097506       7.33889484               0
 H   -1.77395439      -4.62018442      0.770607829               0
 H   -1.70740509       7.80205345       5.16869450               0
 H   -1.77498579      -3.36334991      -1.37993407               0
 H   -1.74420834       9.04238319       2.99774146               0
 H   -1.75451469      -2.10339117      -3.52999830               0
 H   -1.65120316       10.3075294      0.843183994               0
 H   -1.70316029     -0.844047308      -5.67867565               0
 H  -0.922671318       10.4454269      -1.52649212               0
 H    8.70988369E-02   9.35827637      -3.54086328               0
 H   0.550350666       7.28449821      -4.76579714               0
 H   0.175753117       5.62512970      -5.77838898               0
 H  -0.377837181       3.56610346      -6.98118496               0
 H   -1.13691187       1.21554375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.18618178     out: b-111-All-Rlx|gnp-3.00-5.79-0.00.out                        
 C  -0.799027681       7.45943642       7.54541874               0
 C  -0.317882538       6.32886410       6.89554834               0
 C   0.185661316       3.83004332       5.41511583               0
 C   0.177424192       2.64173293       4.71705818               0
 C  -0.394910812      0.145850182       3.26869488               0
 C  -0.950840950     -0.944880962       2.62155533               0
 C   -1.16937733       8.59551525       6.82715893               0
 C  -0.981160641       8.64584827       5.42234373               0
 C  -0.178850174       6.29941940       5.48938990               0
 C  -0.440814018       7.48936462       4.74796915               0
 C   0.102713823       5.07530403       4.75720549               0
 C   0.140318871       5.08434200       3.33551526               0
 C    8.89768600E-02   2.61105871       3.30924726               0
 C   0.134055138       3.84845972       2.60845566               0
 C  -0.222317696       1.38324690       2.59994006               0
 C  -0.493322611       1.45204735       1.20430911               0
 C   -1.34612417     -0.861590385       1.27943373               0
 C   -1.07412720      0.314170361      0.532352090               0
 C   -1.39072037       9.78399372       4.64658785               0
 C   -1.06390047       9.87831688       3.25698781               0
 C  -0.248614788       7.52479076       3.32637429               0
 C  -0.480543137       8.73070145       2.59598851               0
 C    5.23509979E-02   6.32498693       2.62137914               0
 C   0.123171806       6.33491421       1.19908977               0
 C    3.77733707E-02   3.86753607       1.17760742               0
 C   0.115378380       5.10312223      0.473644763               0
 C  -0.284756184       2.67100096      0.475272119               0
 C  -0.525135994       2.72254539     -0.931961000               0
 C   -1.45217800      0.427036762     -0.848788440               0
 C   -1.10855103       1.58421659      -1.60789299               0
 C   -1.39808226       11.0295715       2.48460293               0
 C   -1.02480316       11.1252975       1.10585093               0
 C  -0.251991510       8.77065086       1.19361091               0
 C  -0.453139067       9.98280144      0.457604825               0
 C    4.85756397E-02   7.56829739      0.490648031               0
 C   0.121139526       7.58213615     -0.934728682               0
 C    2.18970776E-02   5.12384272     -0.948390901               0
 C   0.102700710       6.36206341      -1.65479970               0
 C  -0.301630735       3.92734146      -1.65446591               0
 C  -0.527911425       3.98337197      -3.06887269               0
 C   -1.43616438       1.68609285      -2.99380970               0
 C   -1.08385897       2.84893703      -3.74758983               0
 C   -1.22623014       12.3206463      0.343163699               0
 C  -0.803122997       12.3983774     -0.972277462               0
 C  -0.173725605       10.0302944     -0.934722841               0
 C  -0.282842398       11.2666607      -1.64261556               0
 C   0.101405621       8.82197380      -1.64435029               0
 C   0.231160164       8.85229111      -3.06021595               0
 C    2.52962112E-02   6.38991976      -3.08192515               0
 C   0.151285887       7.61695433      -3.79336333               0
 C  -0.299227238       5.18906546      -3.78701425               0
 C  -0.492100954       5.22184181      -5.20530367               0
 C   -1.31795549       2.92882228      -5.15775442               0
 C  -0.980967999       4.07028913      -5.86385250               0
 C    6.46765232E-02   11.2863064      -3.01898694               0
 C   0.316650391       10.1221867      -3.70052624               0
 C    5.66339493E-02   7.58941555      -5.21383476               0
 C  -0.256259680       6.43958807      -5.89342308               0
 H  -0.925597191       7.44301939       8.63169289               0
 H   -9.33930874E-02   5.43984270       7.48742008               0
 H   0.197989464       3.78799987       6.50562525               0
 H   0.175419092       1.70998907       5.28520250               0
 H  -0.136928320       5.39565086E-02   4.32459307               0
 H   -1.11145449      -1.87599802       3.17142963               0
 H   -1.57982445       9.47097492       7.33889484               0
 H   -1.77395439      -1.73018456      0.770607829               0
 H   -1.70740509       10.6920528       5.16869450               0
 H   -1.77498579     -0.473350048      -1.37993407               0
 H   -1.74420834       11.9323826       2.99774146               0
 H   -1.75451469      0.786608696      -3.52999830               0
 H   -1.65120316       13.1975288      0.843183994               0
 H   -1.70316029       2.04595256      -5.67867565               0
 H  -0.922671318       13.3354263      -1.52649212               0
 H    8.70988369E-02   12.2482758      -3.54086328               0
 H   0.550350666       10.1744976      -4.76579714               0
 H   0.175753117       8.51512909      -5.77838898               0
 H  -0.377837181       6.45610332      -6.98118496               0
 H   -1.13691187       4.10554361      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -2.71926546     out: b-111-All-Rlx|gnp-3.40-0.00-0.00.out                        
 C  -0.399027586       1.66943645       7.54541874               0
 C    8.21175575E-02  0.538864374       6.89554834               0
 C   0.585661411      -1.95995665       5.41511583               0
 C   0.577424288      -3.14826703       4.71705818               0
 C    5.08928299E-03  -5.64414978       3.26869488               0
 C  -0.550840855      -6.73488092       2.62155533               0
 C  -0.769377232       2.80551529       6.82715893               0
 C  -0.581160545       2.85584807       5.42234373               0
 C   0.221149921      0.509419680       5.48938990               0
 C   -4.08139229E-02   1.69936466       4.74796915               0
 C   0.502713919     -0.714695692       4.75720549               0
 C   0.540318966     -0.705657840       3.33551526               0
 C   0.488976955      -3.17894125       3.30924726               0
 C   0.534055233      -1.94154024       2.60845566               0
 C   0.177682400      -4.40675306       2.59994006               0
 C   -9.33225155E-02  -4.33795261       1.20430911               0
 C  -0.946124077      -6.65159035       1.27943373               0
 C  -0.674127102      -5.47582960      0.532352090               0
 C  -0.990720272       3.99399352       4.64658785               0
 C  -0.663900375       4.08831644       3.25698781               0
 C   0.151385307       1.73479080       3.32637429               0
 C   -8.05430412E-02   2.94070196       2.59598851               0
 C   0.452351093      0.534987152       2.62137914               0
 C   0.523171902      0.544914126       1.19908977               0
 C   0.437773466      -1.92246389       1.17760742               0
 C   0.515378475     -0.686877906      0.473644763               0
 C   0.115243912      -3.11899900      0.475272119               0
 C  -0.125135899      -3.06745458     -0.931961000               0
 C   -1.05217791      -5.36296320     -0.848788440               0
 C  -0.708550930      -4.20578337      -1.60789299               0
 C  -0.998082161       5.23957205       2.48460293               0
 C  -0.624803066       5.33529711       1.10585093               0
 C   0.148008585       2.98065114       1.19361091               0
 C   -5.31389713E-02   4.19280100      0.457604825               0
 C   0.448575735       1.77829719      0.490648031               0
 C   0.521139622       1.79213595     -0.934728682               0
 C   0.421897173     -0.666157305     -0.948390901               0
 C   0.502700806      0.572063267      -1.65479970               0
 C    9.83693600E-02  -1.86265850      -1.65446591               0
 C  -0.127911329      -1.80662799      -3.06887269               0
 C   -1.03616428      -4.10390711      -2.99380970               0
 C  -0.683858871      -2.94106293      -3.74758983               0
 C  -0.826230049       6.53064680      0.343163699               0
 C  -0.403122902       6.60837746     -0.972277462               0
 C   0.226274490       4.24029398     -0.934722841               0
 C   0.117157698       5.47666121      -1.64261556               0
 C   0.501405716       3.03197408      -1.64435029               0
 C   0.631160259       3.06229091      -3.06021595               0
 C   0.425296307      0.599919736      -3.08192515               0
 C   0.551285982       1.82695436      -3.79336333               0
 C   0.100772858     -0.600934327      -3.78701425               0
 C   -9.21008587E-02 -0.568158269      -5.20530367               0
 C  -0.917955399      -2.86117768      -5.15775442               0
 C  -0.580967903      -1.71971083      -5.86385250               0
 C   0.464676619       5.49630642      -3.01898694               0
 C   0.716650486       4.33218622      -3.70052624               0
 C   0.456634045       1.79941559      -5.21383476               0
 C   0.143740416      0.649588227      -5.89342308               0
 H  -0.525597095       1.65301943       8.63169289               0
 H   0.306607008     -0.350157380       7.48742008               0
 H   0.597989559      -2.00200009       6.50562525               0
 H   0.575419188      -4.08001089       5.28520250               0
 H   0.263071775      -5.73604345       4.32459307               0
 H  -0.711454391      -7.66599798       3.17142963               0
 H   -1.17982435       3.68097496       7.33889484               0
 H   -1.37395430      -7.52018452      0.770607829               0
 H   -1.30740499       4.90205336       5.16869450               0
 H   -1.37498569      -6.26335001      -1.37993407               0
 H   -1.34420824       6.14238310       2.99774146               0
 H   -1.35451460      -5.00339127      -3.52999830               0
 H   -1.25120306       7.40752935      0.843183994               0
 H   -1.30316019      -3.74404740      -5.67867565               0
 H  -0.522671223       7.54542685      -1.52649212               0
 H   0.487098932       6.45827627      -3.54086328               0
 H   0.950350761       4.38449812      -4.76579714               0
 H   0.575753212       2.72512960      -5.77838898               0
 H    2.21629143E-02  0.666103244      -6.98118496               0
 H  -0.736911774      -1.68445635      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.42327189     out: b-111-All-Rlx|gnp-3.40-0.00-4.98.out                        
 C  -0.399027586       1.66943645       12.5254192               0
 C    8.21175575E-02  0.538864374       11.8755484               0
 C   0.585661411      -1.95995665       10.3951159               0
 C   0.577424288      -3.14826703       9.69705772               0
 C    5.08928299E-03  -5.64414978       8.24869537               0
 C  -0.550840855      -6.73488092       7.60155535               0
 C  -0.769377232       2.80551529       11.8071594               0
 C  -0.581160545       2.85584807       10.4023438               0
 C   0.221149921      0.509419680       10.4693899               0
 C   -4.08139229E-02   1.69936466       9.72796917               0
 C   0.502713919     -0.714695692       9.73720551               0
 C   0.540318966     -0.705657840       8.31551552               0
 C   0.488976955      -3.17894125       8.28924751               0
 C   0.534055233      -1.94154024       7.58845568               0
 C   0.177682400      -4.40675306       7.57993984               0
 C   -9.33225155E-02  -4.33795261       6.18430901               0
 C  -0.946124077      -6.65159035       6.25943375               0
 C  -0.674127102      -5.47582960       5.51235199               0
 C  -0.990720272       3.99399352       9.62658787               0
 C  -0.663900375       4.08831644       8.23698807               0
 C   0.151385307       1.73479080       8.30637455               0
 C   -8.05430412E-02   2.94070196       7.57598877               0
 C   0.452351093      0.534987152       7.60137939               0
 C   0.523171902      0.544914126       6.17908955               0
 C   0.437773466      -1.92246389       6.15760756               0
 C   0.515378475     -0.686877906       5.45364475               0
 C   0.115243912      -3.11899900       5.45527220               0
 C  -0.125135899      -3.06745458       4.04803896               0
 C   -1.05217791      -5.36296320       4.13121176               0
 C  -0.708550930      -4.20578337       3.37210703               0
 C  -0.998082161       5.23957205       7.46460295               0
 C  -0.624803066       5.33529711       6.08585072               0
 C   0.148008585       2.98065114       6.17361069               0
 C   -5.31389713E-02   4.19280100       5.43760490               0
 C   0.448575735       1.77829719       5.47064781               0
 C   0.521139622       1.79213595       4.04527140               0
 C   0.421897173     -0.666157305       4.03160906               0
 C   0.502700806      0.572063267       3.32520032               0
 C    9.83693600E-02  -1.86265850       3.32553411               0
 C  -0.127911329      -1.80662799       1.91112733               0
 C   -1.03616428      -4.10390711       1.98619032               0
 C  -0.683858871      -2.94106293       1.23241019               0
 C  -0.826230049       6.53064680       5.32316351               0
 C  -0.403122902       6.60837746       4.00772238               0
 C   0.226274490       4.24029398       4.04527712               0
 C   0.117157698       5.47666121       3.33738446               0
 C   0.501405716       3.03197408       3.33564973               0
 C   0.631160259       3.06229091       1.91978407               0
 C   0.425296307      0.599919736       1.89807487               0
 C   0.551285982       1.82695436       1.18663669               0
 C   0.100772858     -0.600934327       1.19298577               0
 C   -9.21008587E-02 -0.568158269     -0.225303650               0
 C  -0.917955399      -2.86117768     -0.177754402               0
 C  -0.580967903      -1.71971083     -0.883852482               0
 C   0.464676619       5.49630642       1.96101308               0
 C   0.716650486       4.33218622       1.27947378               0
 C   0.456634045       1.79941559     -0.233834743               0
 C   0.143740416      0.649588227     -0.913423061               0
 H  -0.525597095       1.65301943       13.6116924               0
 H   0.306607008     -0.350157380       12.4674206               0
 H   0.597989559      -2.00200009       11.4856253               0
 H   0.575419188      -4.08001089       10.2652025               0
 H   0.263071775      -5.73604345       9.30459309               0
 H  -0.711454391      -7.66599798       8.15143013               0
 H   -1.17982435       3.68097496       12.3188953               0
 H   -1.37395430      -7.52018452       5.75060797               0
 H   -1.30740499       4.90205336       10.1486950               0
 H   -1.37498569      -6.26335001       3.60006595               0
 H   -1.34420824       6.14238310       7.97774124               0
 H   -1.35451460      -5.00339127       1.45000172               0
 H   -1.25120306       7.40752935       5.82318401               0
 H   -1.30316019      -3.74404740     -0.698675632               0
 H  -0.522671223       7.54542685       3.45350790               0
 H   0.487098932       6.45827627       1.43913674               0
 H   0.950350761       4.38449812      0.214202881               0
 H   0.575753212       2.72512960     -0.798388958               0
 H    2.21629143E-02  0.666103244      -2.00118494               0
 H  -0.736911774      -1.68445635      -1.96703482               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -2.51301479     out: b-111-All-Rlx|gnp-3.40-0.84-0.00.out                        
 C  -0.399027586       2.50943637       7.54541874               0
 C    8.21175575E-02   1.37886429       6.89554834               0
 C   0.585661411      -1.11995673       5.41511583               0
 C   0.577424288      -2.30826712       4.71705818               0
 C    5.08928299E-03  -4.80414963       3.26869488               0
 C  -0.550840855      -5.89488077       2.62155533               0
 C  -0.769377232       3.64551520       6.82715893               0
 C  -0.581160545       3.69584799       5.42234373               0
 C   0.221149921       1.34941959       5.48938990               0
 C   -4.08139229E-02   2.53936458       4.74796915               0
 C   0.502713919      0.125304282       4.75720549               0
 C   0.540318966      0.134342134       3.33551526               0
 C   0.488976955      -2.33894134       3.30924726               0
 C   0.534055233      -1.10154033       2.60845566               0
 C   0.177682400      -3.56675315       2.59994006               0
 C   -9.33225155E-02  -3.49795270       1.20430911               0
 C  -0.946124077      -5.81159019       1.27943373               0
 C  -0.674127102      -4.63582945      0.532352090               0
 C  -0.990720272       4.83399343       4.64658785               0
 C  -0.663900375       4.92831659       3.25698781               0
 C   0.151385307       2.57479072       3.32637429               0
 C   -8.05430412E-02   3.78070188       2.59598851               0
 C   0.452351093       1.37498713       2.62137914               0
 C   0.523171902       1.38491416       1.19908977               0
 C   0.437773466      -1.08246398       1.17760742               0
 C   0.515378475      0.153122067      0.473644763               0
 C   0.115243912      -2.27899909      0.475272119               0
 C  -0.125135899      -2.22745466     -0.931961000               0
 C   -1.05217791      -4.52296305     -0.848788440               0
 C  -0.708550930      -3.36578345      -1.60789299               0
 C  -0.998082161       6.07957220       2.48460293               0
 C  -0.624803066       6.17529726       1.10585093               0
 C   0.148008585       3.82065105       1.19361091               0
 C   -5.31389713E-02   5.03280115      0.457604825               0
 C   0.448575735       2.61829710      0.490648031               0
 C   0.521139622       2.63213587     -0.934728682               0
 C   0.421897173      0.173842669     -0.948390901               0
 C   0.502700806       1.41206324      -1.65479970               0
 C    9.83693600E-02  -1.02265859      -1.65446591               0
 C  -0.127911329     -0.966628015      -3.06887269               0
 C   -1.03616428      -3.26390719      -2.99380970               0
 C  -0.683858871      -2.10106301      -3.74758983               0
 C  -0.826230049       7.37064695      0.343163699               0
 C  -0.403122902       7.44837761     -0.972277462               0
 C   0.226274490       5.08029413     -0.934722841               0
 C   0.117157698       6.31666136      -1.64261556               0
 C   0.501405716       3.87197399      -1.64435029               0
 C   0.631160259       3.90229082      -3.06021595               0
 C   0.425296307       1.43991971      -3.08192515               0
 C   0.551285982       2.66695428      -3.79336333               0
 C   0.100772858      0.239065647      -3.78701425               0
 C   -9.21008587E-02  0.271841705      -5.20530367               0
 C  -0.917955399      -2.02117777      -5.15775442               0
 C  -0.580967903     -0.879710853      -5.86385250               0
 C   0.464676619       6.33630657      -3.01898694               0
 C   0.716650486       5.17218637      -3.70052624               0
 C   0.456634045       2.63941550      -5.21383476               0
 C   0.143740416       1.48958826      -5.89342308               0
 H  -0.525597095       2.49301934       8.63169289               0
 H   0.306607008      0.489842594       7.48742008               0
 H   0.597989559      -1.16200018       6.50562525               0
 H   0.575419188      -3.24001098       5.28520250               0
 H   0.263071775      -4.89604330       4.32459307               0
 H  -0.711454391      -6.82599783       3.17142963               0
 H   -1.17982435       4.52097511       7.33889484               0
 H   -1.37395430      -6.68018436      0.770607829               0
 H   -1.30740499       5.74205351       5.16869450               0
 H   -1.37498569      -5.42334986      -1.37993407               0
 H   -1.34420824       6.98238325       2.99774146               0
 H   -1.35451460      -4.16339111      -3.52999830               0
 H   -1.25120306       8.24752903      0.843183994               0
 H   -1.30316019      -2.90404749      -5.67867565               0
 H  -0.522671223       8.38542652      -1.52649212               0
 H   0.487098932       7.29827642      -3.54086328               0
 H   0.950350761       5.22449827      -4.76579714               0
 H   0.575753212       3.56512952      -5.77838898               0
 H    2.21629143E-02   1.50610328      -6.98118496               0
 H  -0.736911774     -0.844456375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -2.31808758     out: b-111-All-Rlx|gnp-3.40--1.25-2.16.out                       
 C  -0.399027586      0.419436455       9.70541859               0
 C    8.21175575E-02 -0.711135626       9.05554867               0
 C   0.585661411      -3.20995665       7.57511616               0
 C   0.577424288      -4.39826679       6.87705803               0
 C    5.08928299E-03  -6.89414978       5.42869473               0
 C  -0.550840855      -7.98488092       4.78155518               0
 C  -0.769377232       1.55551529       8.98715878               0
 C  -0.581160545       1.60584807       7.58234406               0
 C   0.221149921     -0.740580320       7.64939022               0
 C   -4.08139229E-02  0.449364662       6.90796947               0
 C   0.502713919      -1.96469569       6.91720581               0
 C   0.540318966      -1.95565784       5.49551535               0
 C   0.488976955      -4.42894125       5.46924734               0
 C   0.534055233      -3.19154024       4.76845551               0
 C   0.177682400      -5.65675306       4.75994015               0
 C   -9.33225155E-02  -5.58795261       3.36430931               0
 C  -0.946124077      -7.90159035       3.43943381               0
 C  -0.674127102      -6.72582960       2.69235229               0
 C  -0.990720272       2.74399352       6.80658817               0
 C  -0.663900375       2.83831644       5.41698790               0
 C   0.151385307      0.484790802       5.48637438               0
 C   -8.05430412E-02   1.69070196       4.75598860               0
 C   0.452351093     -0.715012848       4.78137922               0
 C   0.523171902     -0.705085874       3.35908985               0
 C   0.437773466      -3.17246389       3.33760738               0
 C   0.515378475      -1.93687797       2.63364482               0
 C   0.115243912      -4.36899900       2.63527226               0
 C  -0.125135899      -4.31745434       1.22803903               0
 C   -1.05217791      -6.61296320       1.31121159               0
 C  -0.708550930      -5.45578337      0.552107096               0
 C  -0.998082161       3.98957205       4.64460278               0
 C  -0.624803066       4.08529711       3.26585102               0
 C   0.148008585       1.73065114       3.35361099               0
 C   -5.31389713E-02   2.94280100       2.61760497               0
 C   0.448575735      0.528297186       2.65064812               0
 C   0.521139622      0.542135954       1.22527146               0
 C   0.421897173      -1.91615725       1.21160913               0
 C   0.502700806     -0.677936733      0.505200386               0
 C    9.83693600E-02  -3.11265850      0.505534172               0
 C  -0.127911329      -3.05662799     -0.908872604               0
 C   -1.03616428      -5.35390711     -0.833809614               0
 C  -0.683858871      -4.19106293      -1.58758974               0
 C  -0.826230049       5.28064680       2.50316381               0
 C  -0.403122902       5.35837746       1.18772268               0
 C   0.226274490       2.99029398       1.22527719               0
 C   0.117157698       4.22666121      0.517384529               0
 C   0.501405716       1.78197408      0.515649796               0
 C   0.631160259       1.81229091     -0.900215864               0
 C   0.425296307     -0.650080264     -0.921925068               0
 C   0.551285982      0.576954365      -1.63336325               0
 C   0.100772858      -1.85093427      -1.62701416               0
 C   -9.21008587E-02  -1.81815827      -3.04530358               0
 C  -0.917955399      -4.11117744      -2.99775434               0
 C  -0.580967903      -2.96971083      -3.70385242               0
 C   0.464676619       4.24630642     -0.858986855               0
 C   0.716650486       3.08218622      -1.54052615               0
 C   0.456634045      0.549415588      -3.05383468               0
 C   0.143740416     -0.600411773      -3.73342299               0
 H  -0.525597095      0.403019428       10.7916927               0
 H   0.306607008      -1.60015738       9.64741993               0
 H   0.597989559      -3.25200009       8.66562557               0
 H   0.575419188      -5.33001089       7.44520283               0
 H   0.263071775      -6.98604345       6.48459339               0
 H  -0.711454391      -8.91599846       5.33142948               0
 H   -1.17982435       2.43097496       9.49889469               0
 H   -1.37395430      -8.77018452       2.93060780               0
 H   -1.30740499       3.65205336       7.32869434               0
 H   -1.37498569      -7.51335001      0.780066013               0
 H   -1.34420824       4.89238310       5.15774155               0
 H   -1.35451460      -6.25339127      -1.36999822               0
 H   -1.25120306       6.15752935       3.00318408               0
 H   -1.30316019      -4.99404716      -3.51867557               0
 H  -0.522671223       6.29542685      0.633507967               0
 H   0.487098932       5.20827627      -1.38086319               0
 H   0.950350761       3.13449812      -2.60579705               0
 H   0.575753212       1.47512960      -3.61838889               0
 H    2.21629143E-02 -0.583896756      -4.82118511               0
 H  -0.736911774      -2.93445635      -4.78703499               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.75208044     out: b-111-All-Rlx|gnp-3.40-2.90-0.00.out                        
 C  -0.399027586       4.56943655       7.54541874               0
 C    8.21175575E-02   3.43886447       6.89554834               0
 C   0.585661411      0.940043449       5.41511583               0
 C   0.577424288     -0.248266935       4.71705818               0
 C    5.08928299E-03  -2.74414968       3.26869488               0
 C  -0.550840855      -3.83488083       2.62155533               0
 C  -0.769377232       5.70551538       6.82715893               0
 C  -0.581160545       5.75584793       5.42234373               0
 C   0.221149921       3.40941978       5.48938990               0
 C   -4.08139229E-02   4.59936476       4.74796915               0
 C   0.502713919       2.18530440       4.75720549               0
 C   0.540318966       2.19434214       3.33551526               0
 C   0.488976955     -0.278941154       3.30924726               0
 C   0.534055233      0.958459854       2.60845566               0
 C   0.177682400      -1.50675297       2.59994006               0
 C   -9.33225155E-02  -1.43795252       1.20430911               0
 C  -0.946124077      -3.75159025       1.27943373               0
 C  -0.674127102      -2.57582951      0.532352090               0
 C  -0.990720272       6.89399338       4.64658785               0
 C  -0.663900375       6.98831654       3.25698781               0
 C   0.151385307       4.63479090       3.32637429               0
 C   -8.05430412E-02   5.84070206       2.59598851               0
 C   0.452351093       3.43498731       2.62137914               0
 C   0.523171902       3.44491434       1.19908977               0
 C   0.437773466      0.977536201       1.17760742               0
 C   0.515378475       2.21312213      0.473644763               0
 C   0.115243912     -0.218998909      0.475272119               0
 C  -0.125135899     -0.167454481     -0.931961000               0
 C   -1.05217791      -2.46296310     -0.848788440               0
 C  -0.708550930      -1.30578327      -1.60789299               0
 C  -0.998082161       8.13957214       2.48460293               0
 C  -0.624803066       8.23529720       1.10585093               0
 C   0.148008585       5.88065147       1.19361091               0
 C   -5.31389713E-02   7.09280109      0.457604825               0
 C   0.448575735       4.67829704      0.490648031               0
 C   0.521139622       4.69213581     -0.934728682               0
 C   0.421897173       2.23384285     -0.948390901               0
 C   0.502700806       3.47206330      -1.65479970               0
 C    9.83693600E-02   1.03734159      -1.65446591               0
 C  -0.127911329       1.09337211      -3.06887269               0
 C   -1.03616428      -1.20390701      -2.99380970               0
 C  -0.683858871      -4.10628319E-02  -3.74758983               0
 C  -0.826230049       9.43064690      0.343163699               0
 C  -0.403122902       9.50837708     -0.972277462               0
 C   0.226274490       7.14029408     -0.934722841               0
 C   0.117157698       8.37666130      -1.64261556               0
 C   0.501405716       5.93197441      -1.64435029               0
 C   0.631160259       5.96229076      -3.06021595               0
 C   0.425296307       3.49991989      -3.08192515               0
 C   0.551285982       4.72695446      -3.79336333               0
 C   0.100772858       2.29906583      -3.78701425               0
 C   -9.21008587E-02   2.33184195      -5.20530367               0
 C  -0.917955399       3.88224125E-02  -5.15775442               0
 C  -0.580967903       1.18028927      -5.86385250               0
 C   0.464676619       8.39630699      -3.01898694               0
 C   0.716650486       7.23218632      -3.70052624               0
 C   0.456634045       4.69941568      -5.21383476               0
 C   0.143740416       3.54958820      -5.89342308               0
 H  -0.525597095       4.55301952       8.63169289               0
 H   0.306607008       2.54984283       7.48742008               0
 H   0.597989559      0.898000002       6.50562525               0
 H   0.575419188      -1.18001080       5.28520250               0
 H   0.263071775      -2.83604336       4.32459307               0
 H  -0.711454391      -4.76599789       3.17142963               0
 H   -1.17982435       6.58097506       7.33889484               0
 H   -1.37395430      -4.62018442      0.770607829               0
 H   -1.30740499       7.80205345       5.16869450               0
 H   -1.37498569      -3.36334991      -1.37993407               0
 H   -1.34420824       9.04238319       2.99774146               0
 H   -1.35451460      -2.10339117      -3.52999830               0
 H   -1.25120306       10.3075294      0.843183994               0
 H   -1.30316019     -0.844047308      -5.67867565               0
 H  -0.522671223       10.4454269      -1.52649212               0
 H   0.487098932       9.35827637      -3.54086328               0
 H   0.950350761       7.28449821      -4.76579714               0
 H   0.575753212       5.62512970      -5.77838898               0
 H    2.21629143E-02   3.56610346      -6.98118496               0
 H  -0.736911774       1.21554375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.83146048     out: b-111-All-Rlx|gnp-3.80-0.00-0.00.out                        
 C    9.72270966E-04   1.66943645       7.54541874               0
 C   0.482117414      0.538864374       6.89554834               0
 C   0.985661268      -1.95995665       5.41511583               0
 C   0.977424145      -3.14826703       4.71705818               0
 C   0.405089140      -5.64414978       3.26869488               0
 C  -0.150840998      -6.73488092       2.62155533               0
 C  -0.369377375       2.80551529       6.82715893               0
 C  -0.181160688       2.85584807       5.42234373               0
 C   0.621149778      0.509419680       5.48938990               0
 C   0.359185934       1.69936466       4.74796915               0
 C   0.902713776     -0.714695692       4.75720549               0
 C   0.940318823     -0.705657840       3.33551526               0
 C   0.888976812      -3.17894125       3.30924726               0
 C   0.934055090      -1.94154024       2.60845566               0
 C   0.577682257      -4.40675306       2.59994006               0
 C   0.306677341      -4.33795261       1.20430911               0
 C  -0.546124220      -6.65159035       1.27943373               0
 C  -0.274127245      -5.47582960      0.532352090               0
 C  -0.590720415       3.99399352       4.64658785               0
 C  -0.263900518       4.08831644       3.25698781               0
 C   0.551385164       1.73479080       3.32637429               0
 C   0.319456816       2.94070196       2.59598851               0
 C   0.852350950      0.534987152       2.62137914               0
 C   0.923171759      0.544914126       1.19908977               0
 C   0.837773323      -1.92246389       1.17760742               0
 C   0.915378332     -0.686877906      0.473644763               0
 C   0.515243769      -3.11899900      0.475272119               0
 C   0.274863958      -3.06745458     -0.931961000               0
 C  -0.652178049      -5.36296320     -0.848788440               0
 C  -0.308551073      -4.20578337      -1.60789299               0
 C  -0.598082304       5.23957205       2.48460293               0
 C  -0.224803209       5.33529711       1.10585093               0
 C   0.548008442       2.98065114       1.19361091               0
 C   0.346860886       4.19280100      0.457604825               0
 C   0.848575592       1.77829719      0.490648031               0
 C   0.921139479       1.79213595     -0.934728682               0
 C   0.821897030     -0.666157305     -0.948390901               0
 C   0.902700663      0.572063267      -1.65479970               0
 C   0.498369217      -1.86265850      -1.65446591               0
 C   0.272088528      -1.80662799      -3.06887269               0
 C  -0.636164427      -4.10390711      -2.99380970               0
 C  -0.283859015      -2.94106293      -3.74758983               0
 C  -0.426230192       6.53064680      0.343163699               0
 C   -3.12304497E-03   6.60837746     -0.972277462               0
 C   0.626274347       4.24029398     -0.934722841               0
 C   0.517157555       5.47666121      -1.64261556               0
 C   0.901405573       3.03197408      -1.64435029               0
 C    1.03116012       3.06229091      -3.06021595               0
 C   0.825296164      0.599919736      -3.08192515               0
 C   0.951285839       1.82695436      -3.79336333               0
 C   0.500772715     -0.600934327      -3.78701425               0
 C   0.307898998     -0.568158269      -5.20530367               0
 C  -0.517955542      -2.86117768      -5.15775442               0
 C  -0.180968046      -1.71971083      -5.86385250               0
 C   0.864676476       5.49630642      -3.01898694               0
 C    1.11665034       4.33218622      -3.70052624               0
 C   0.856633902       1.79941559      -5.21383476               0
 C   0.543740273      0.649588227      -5.89342308               0
 H  -0.125597239       1.65301943       8.63169289               0
 H   0.706606865     -0.350157380       7.48742008               0
 H   0.997989416      -2.00200009       6.50562525               0
 H   0.975419044      -4.08001089       5.28520250               0
 H   0.663071632      -5.73604345       4.32459307               0
 H  -0.311454535      -7.66599798       3.17142963               0
 H  -0.779824495       3.68097496       7.33889484               0
 H  -0.973954439      -7.52018452      0.770607829               0
 H  -0.907405138       4.90205336       5.16869450               0
 H  -0.974985838      -6.26335001      -1.37993407               0
 H  -0.944208384       6.14238310       2.99774146               0
 H  -0.954514742      -5.00339127      -3.52999830               0
 H  -0.851203203       7.40752935      0.843183994               0
 H  -0.903160334      -3.74404740      -5.67867565               0
 H  -0.122671366       7.54542685      -1.52649212               0
 H   0.887098789       6.45827627      -3.54086328               0
 H    1.35035062       4.38449812      -4.76579714               0
 H   0.975753069       2.72512960      -5.77838898               0
 H   0.422162771      0.666103244      -6.98118496               0
 H  -0.336911917      -1.68445635      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.07863474     out: b-111-All-Rlx|gnp-3.80-0.00-4.98.out                        
 C    9.72270966E-04   1.66943645       12.5254192               0
 C   0.482117414      0.538864374       11.8755484               0
 C   0.985661268      -1.95995665       10.3951159               0
 C   0.977424145      -3.14826703       9.69705772               0
 C   0.405089140      -5.64414978       8.24869537               0
 C  -0.150840998      -6.73488092       7.60155535               0
 C  -0.369377375       2.80551529       11.8071594               0
 C  -0.181160688       2.85584807       10.4023438               0
 C   0.621149778      0.509419680       10.4693899               0
 C   0.359185934       1.69936466       9.72796917               0
 C   0.902713776     -0.714695692       9.73720551               0
 C   0.940318823     -0.705657840       8.31551552               0
 C   0.888976812      -3.17894125       8.28924751               0
 C   0.934055090      -1.94154024       7.58845568               0
 C   0.577682257      -4.40675306       7.57993984               0
 C   0.306677341      -4.33795261       6.18430901               0
 C  -0.546124220      -6.65159035       6.25943375               0
 C  -0.274127245      -5.47582960       5.51235199               0
 C  -0.590720415       3.99399352       9.62658787               0
 C  -0.263900518       4.08831644       8.23698807               0
 C   0.551385164       1.73479080       8.30637455               0
 C   0.319456816       2.94070196       7.57598877               0
 C   0.852350950      0.534987152       7.60137939               0
 C   0.923171759      0.544914126       6.17908955               0
 C   0.837773323      -1.92246389       6.15760756               0
 C   0.915378332     -0.686877906       5.45364475               0
 C   0.515243769      -3.11899900       5.45527220               0
 C   0.274863958      -3.06745458       4.04803896               0
 C  -0.652178049      -5.36296320       4.13121176               0
 C  -0.308551073      -4.20578337       3.37210703               0
 C  -0.598082304       5.23957205       7.46460295               0
 C  -0.224803209       5.33529711       6.08585072               0
 C   0.548008442       2.98065114       6.17361069               0
 C   0.346860886       4.19280100       5.43760490               0
 C   0.848575592       1.77829719       5.47064781               0
 C   0.921139479       1.79213595       4.04527140               0
 C   0.821897030     -0.666157305       4.03160906               0
 C   0.902700663      0.572063267       3.32520032               0
 C   0.498369217      -1.86265850       3.32553411               0
 C   0.272088528      -1.80662799       1.91112733               0
 C  -0.636164427      -4.10390711       1.98619032               0
 C  -0.283859015      -2.94106293       1.23241019               0
 C  -0.426230192       6.53064680       5.32316351               0
 C   -3.12304497E-03   6.60837746       4.00772238               0
 C   0.626274347       4.24029398       4.04527712               0
 C   0.517157555       5.47666121       3.33738446               0
 C   0.901405573       3.03197408       3.33564973               0
 C    1.03116012       3.06229091       1.91978407               0
 C   0.825296164      0.599919736       1.89807487               0
 C   0.951285839       1.82695436       1.18663669               0
 C   0.500772715     -0.600934327       1.19298577               0
 C   0.307898998     -0.568158269     -0.225303650               0
 C  -0.517955542      -2.86117768     -0.177754402               0
 C  -0.180968046      -1.71971083     -0.883852482               0
 C   0.864676476       5.49630642       1.96101308               0
 C    1.11665034       4.33218622       1.27947378               0
 C   0.856633902       1.79941559     -0.233834743               0
 C   0.543740273      0.649588227     -0.913423061               0
 H  -0.125597239       1.65301943       13.6116924               0
 H   0.706606865     -0.350157380       12.4674206               0
 H   0.997989416      -2.00200009       11.4856253               0
 H   0.975419044      -4.08001089       10.2652025               0
 H   0.663071632      -5.73604345       9.30459309               0
 H  -0.311454535      -7.66599798       8.15143013               0
 H  -0.779824495       3.68097496       12.3188953               0
 H  -0.973954439      -7.52018452       5.75060797               0
 H  -0.907405138       4.90205336       10.1486950               0
 H  -0.974985838      -6.26335001       3.60006595               0
 H  -0.944208384       6.14238310       7.97774124               0
 H  -0.954514742      -5.00339127       1.45000172               0
 H  -0.851203203       7.40752935       5.82318401               0
 H  -0.903160334      -3.74404740     -0.698675632               0
 H  -0.122671366       7.54542685       3.45350790               0
 H   0.887098789       6.45827627       1.43913674               0
 H    1.35035062       4.38449812      0.214202881               0
 H   0.975753069       2.72512960     -0.798388958               0
 H   0.422162771      0.666103244      -2.00118494               0
 H  -0.336911917      -1.68445635      -1.96703482               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.82676649     out: b-111-All-Rlx|gnp-3.80--0.62-1.08.out                       
 C    9.72270966E-04   1.04943645       8.62541866               0
 C   0.482117414      -8.11356306E-02   7.97554827               0
 C   0.985661268      -2.57995653       6.49511576               0
 C   0.977424145      -3.76826715       5.79705811               0
 C   0.405089140      -6.26414967       4.34869480               0
 C  -0.150840998      -7.35488081       3.70155525               0
 C  -0.369377375       2.18551540       7.90715885               0
 C  -0.181160688       2.23584795       6.50234365               0
 C   0.621149778     -0.110580325       6.56938982               0
 C   0.359185934       1.07936466       5.82796907               0
 C   0.902713776      -1.33469570       5.83720541               0
 C   0.940318823      -1.32565784       4.41551542               0
 C   0.888976812      -3.79894114       4.38924742               0
 C   0.934055090      -2.56154013       3.68845558               0
 C   0.577682257      -5.02675295       3.67994022               0
 C   0.306677341      -4.95795250       2.28430915               0
 C  -0.546124220      -7.27159023       2.35943365               0
 C  -0.274127245      -6.09582949       1.61235213               0
 C  -0.590720415       3.37399340       5.72658777               0
 C  -0.263900518       3.46831656       4.33698797               0
 C   0.551385164       1.11479080       4.40637445               0
 C   0.319456816       2.32070208       3.67598867               0
 C   0.852350950      -8.50128531E-02   3.70137930               0
 C   0.923171759      -7.50858784E-02   2.27908993               0
 C   0.837773323      -2.54246378       2.25760746               0
 C   0.915378332      -1.30687785       1.55364478               0
 C   0.515243769      -3.73899889       1.55527210               0
 C   0.274863958      -3.68745470      0.148039043               0
 C  -0.652178049      -5.98296309      0.231211603               0
 C  -0.308551073      -4.82578325     -0.527892947               0
 C  -0.598082304       4.61957216       3.56460285               0
 C  -0.224803209       4.71529722       2.18585110               0
 C   0.548008442       2.36065102       2.27361107               0
 C   0.346860886       3.57280111       1.53760481               0
 C   0.848575592       1.15829718       1.57064807               0
 C   0.921139479       1.17213595      0.145271361               0
 C   0.821897030      -1.28615737      0.131609142               0
 C   0.902700663      -4.79367375E-02 -0.574799657               0
 C   0.498369217      -2.48265839     -0.574465871               0
 C   0.272088528      -2.42662811      -1.98887265               0
 C  -0.636164427      -4.72390699      -1.91380966               0
 C  -0.283859015      -3.56106281      -2.66758966               0
 C  -0.426230192       5.91064692       1.42316377               0
 C   -3.12304497E-03   5.98837757      0.107722580               0
 C   0.626274347       3.62029409      0.145277202               0
 C   0.517157555       4.85666132     -0.562615514               0
 C   0.901405573       2.41197395     -0.564350247               0
 C    1.03116012       2.44229078      -1.98021591               0
 C   0.825296164      -2.00802684E-02  -2.00192499               0
 C   0.951285839       1.20695436      -2.71336317               0
 C   0.500772715      -1.22093439      -2.70701408               0
 C   0.307898998      -1.18815827      -4.12530375               0
 C  -0.517955542      -3.48117781      -4.07775450               0
 C  -0.180968046      -2.33971071      -4.78385258               0
 C   0.864676476       4.87630653      -1.93898690               0
 C    1.11665034       3.71218634      -2.62052631               0
 C   0.856633902       1.17941558      -4.13383484               0
 C   0.543740273       2.95882225E-02  -4.81342316               0
 H  -0.125597239       1.03301942       9.71169281               0
 H   0.706606865     -0.970157385       8.56742001               0
 H   0.997989416      -2.62200022       7.58562517               0
 H   0.975419044      -4.70001078       6.36520243               0
 H   0.663071632      -6.35604334       5.40459299               0
 H  -0.311454535      -8.28599834       4.25142956               0
 H  -0.779824495       3.06097507       8.41889477               0
 H  -0.973954439      -8.14018440       1.85060787               0
 H  -0.907405138       4.28205347       6.24869442               0
 H  -0.974985838      -6.88334990     -0.299934030               0
 H  -0.944208384       5.52238321       4.07774162               0
 H  -0.954514742      -5.62339115      -2.44999838               0
 H  -0.851203203       6.78752947       1.92318404               0
 H  -0.903160334      -4.36404753      -4.59867573               0
 H  -0.122671366       6.92542696     -0.446492076               0
 H   0.887098789       5.83827639      -2.46086311               0
 H    1.35035062       3.76449823      -3.68579721               0
 H   0.975753069       2.10512972      -4.69838905               0
 H   0.422162771       4.61032391E-02  -5.90118504               0
 H  -0.336911917      -2.30445623      -5.86703491               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.73981178     out: b-111-All-Rlx|gnp-3.80-0.84-0.00.out                        
 C    9.72270966E-04   2.50943637       7.54541874               0
 C   0.482117414       1.37886429       6.89554834               0
 C   0.985661268      -1.11995673       5.41511583               0
 C   0.977424145      -2.30826712       4.71705818               0
 C   0.405089140      -4.80414963       3.26869488               0
 C  -0.150840998      -5.89488077       2.62155533               0
 C  -0.369377375       3.64551520       6.82715893               0
 C  -0.181160688       3.69584799       5.42234373               0
 C   0.621149778       1.34941959       5.48938990               0
 C   0.359185934       2.53936458       4.74796915               0
 C   0.902713776      0.125304282       4.75720549               0
 C   0.940318823      0.134342134       3.33551526               0
 C   0.888976812      -2.33894134       3.30924726               0
 C   0.934055090      -1.10154033       2.60845566               0
 C   0.577682257      -3.56675315       2.59994006               0
 C   0.306677341      -3.49795270       1.20430911               0
 C  -0.546124220      -5.81159019       1.27943373               0
 C  -0.274127245      -4.63582945      0.532352090               0
 C  -0.590720415       4.83399343       4.64658785               0
 C  -0.263900518       4.92831659       3.25698781               0
 C   0.551385164       2.57479072       3.32637429               0
 C   0.319456816       3.78070188       2.59598851               0
 C   0.852350950       1.37498713       2.62137914               0
 C   0.923171759       1.38491416       1.19908977               0
 C   0.837773323      -1.08246398       1.17760742               0
 C   0.915378332      0.153122067      0.473644763               0
 C   0.515243769      -2.27899909      0.475272119               0
 C   0.274863958      -2.22745466     -0.931961000               0
 C  -0.652178049      -4.52296305     -0.848788440               0
 C  -0.308551073      -3.36578345      -1.60789299               0
 C  -0.598082304       6.07957220       2.48460293               0
 C  -0.224803209       6.17529726       1.10585093               0
 C   0.548008442       3.82065105       1.19361091               0
 C   0.346860886       5.03280115      0.457604825               0
 C   0.848575592       2.61829710      0.490648031               0
 C   0.921139479       2.63213587     -0.934728682               0
 C   0.821897030      0.173842669     -0.948390901               0
 C   0.902700663       1.41206324      -1.65479970               0
 C   0.498369217      -1.02265859      -1.65446591               0
 C   0.272088528     -0.966628015      -3.06887269               0
 C  -0.636164427      -3.26390719      -2.99380970               0
 C  -0.283859015      -2.10106301      -3.74758983               0
 C  -0.426230192       7.37064695      0.343163699               0
 C   -3.12304497E-03   7.44837761     -0.972277462               0
 C   0.626274347       5.08029413     -0.934722841               0
 C   0.517157555       6.31666136      -1.64261556               0
 C   0.901405573       3.87197399      -1.64435029               0
 C    1.03116012       3.90229082      -3.06021595               0
 C   0.825296164       1.43991971      -3.08192515               0
 C   0.951285839       2.66695428      -3.79336333               0
 C   0.500772715      0.239065647      -3.78701425               0
 C   0.307898998      0.271841705      -5.20530367               0
 C  -0.517955542      -2.02117777      -5.15775442               0
 C  -0.180968046     -0.879710853      -5.86385250               0
 C   0.864676476       6.33630657      -3.01898694               0
 C    1.11665034       5.17218637      -3.70052624               0
 C   0.856633902       2.63941550      -5.21383476               0
 C   0.543740273       1.48958826      -5.89342308               0
 H  -0.125597239       2.49301934       8.63169289               0
 H   0.706606865      0.489842594       7.48742008               0
 H   0.997989416      -1.16200018       6.50562525               0
 H   0.975419044      -3.24001098       5.28520250               0
 H   0.663071632      -4.89604330       4.32459307               0
 H  -0.311454535      -6.82599783       3.17142963               0
 H  -0.779824495       4.52097511       7.33889484               0
 H  -0.973954439      -6.68018436      0.770607829               0
 H  -0.907405138       5.74205351       5.16869450               0
 H  -0.974985838      -5.42334986      -1.37993407               0
 H  -0.944208384       6.98238325       2.99774146               0
 H  -0.954514742      -4.16339111      -3.52999830               0
 H  -0.851203203       8.24752903      0.843183994               0
 H  -0.903160334      -2.90404749      -5.67867565               0
 H  -0.122671366       8.38542652      -1.52649212               0
 H   0.887098789       7.29827642      -3.54086328               0
 H    1.35035062       5.22449827      -4.76579714               0
 H   0.975753069       3.56512952      -5.77838898               0
 H   0.422162771       1.50610328      -6.98118496               0
 H  -0.336911917     -0.844456375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.39385664     out: b-111-All-Rlx|gnp-3.80-2.90-0.00.out                        
 C    9.72270966E-04   4.56943655       7.54541874               0
 C   0.482117414       3.43886447       6.89554834               0
 C   0.985661268      0.940043449       5.41511583               0
 C   0.977424145     -0.248266935       4.71705818               0
 C   0.405089140      -2.74414968       3.26869488               0
 C  -0.150840998      -3.83488083       2.62155533               0
 C  -0.369377375       5.70551538       6.82715893               0
 C  -0.181160688       5.75584793       5.42234373               0
 C   0.621149778       3.40941978       5.48938990               0
 C   0.359185934       4.59936476       4.74796915               0
 C   0.902713776       2.18530440       4.75720549               0
 C   0.940318823       2.19434214       3.33551526               0
 C   0.888976812     -0.278941154       3.30924726               0
 C   0.934055090      0.958459854       2.60845566               0
 C   0.577682257      -1.50675297       2.59994006               0
 C   0.306677341      -1.43795252       1.20430911               0
 C  -0.546124220      -3.75159025       1.27943373               0
 C  -0.274127245      -2.57582951      0.532352090               0
 C  -0.590720415       6.89399338       4.64658785               0
 C  -0.263900518       6.98831654       3.25698781               0
 C   0.551385164       4.63479090       3.32637429               0
 C   0.319456816       5.84070206       2.59598851               0
 C   0.852350950       3.43498731       2.62137914               0
 C   0.923171759       3.44491434       1.19908977               0
 C   0.837773323      0.977536201       1.17760742               0
 C   0.915378332       2.21312213      0.473644763               0
 C   0.515243769     -0.218998909      0.475272119               0
 C   0.274863958     -0.167454481     -0.931961000               0
 C  -0.652178049      -2.46296310     -0.848788440               0
 C  -0.308551073      -1.30578327      -1.60789299               0
 C  -0.598082304       8.13957214       2.48460293               0
 C  -0.224803209       8.23529720       1.10585093               0
 C   0.548008442       5.88065147       1.19361091               0
 C   0.346860886       7.09280109      0.457604825               0
 C   0.848575592       4.67829704      0.490648031               0
 C   0.921139479       4.69213581     -0.934728682               0
 C   0.821897030       2.23384285     -0.948390901               0
 C   0.902700663       3.47206330      -1.65479970               0
 C   0.498369217       1.03734159      -1.65446591               0
 C   0.272088528       1.09337211      -3.06887269               0
 C  -0.636164427      -1.20390701      -2.99380970               0
 C  -0.283859015      -4.10628319E-02  -3.74758983               0
 C  -0.426230192       9.43064690      0.343163699               0
 C   -3.12304497E-03   9.50837708     -0.972277462               0
 C   0.626274347       7.14029408     -0.934722841               0
 C   0.517157555       8.37666130      -1.64261556               0
 C   0.901405573       5.93197441      -1.64435029               0
 C    1.03116012       5.96229076      -3.06021595               0
 C   0.825296164       3.49991989      -3.08192515               0
 C   0.951285839       4.72695446      -3.79336333               0
 C   0.500772715       2.29906583      -3.78701425               0
 C   0.307898998       2.33184195      -5.20530367               0
 C  -0.517955542       3.88224125E-02  -5.15775442               0
 C  -0.180968046       1.18028927      -5.86385250               0
 C   0.864676476       8.39630699      -3.01898694               0
 C    1.11665034       7.23218632      -3.70052624               0
 C   0.856633902       4.69941568      -5.21383476               0
 C   0.543740273       3.54958820      -5.89342308               0
 H  -0.125597239       4.55301952       8.63169289               0
 H   0.706606865       2.54984283       7.48742008               0
 H   0.997989416      0.898000002       6.50562525               0
 H   0.975419044      -1.18001080       5.28520250               0
 H   0.663071632      -2.83604336       4.32459307               0
 H  -0.311454535      -4.76599789       3.17142963               0
 H  -0.779824495       6.58097506       7.33889484               0
 H  -0.973954439      -4.62018442      0.770607829               0
 H  -0.907405138       7.80205345       5.16869450               0
 H  -0.974985838      -3.36334991      -1.37993407               0
 H  -0.944208384       9.04238319       2.99774146               0
 H  -0.954514742      -2.10339117      -3.52999830               0
 H  -0.851203203       10.3075294      0.843183994               0
 H  -0.903160334     -0.844047308      -5.67867565               0
 H  -0.122671366       10.4454269      -1.52649212               0
 H   0.887098789       9.35827637      -3.54086328               0
 H    1.35035062       7.28449821      -4.76579714               0
 H   0.975753069       5.62512970      -5.77838898               0
 H   0.422162771       3.56610346      -6.98118496               0
 H  -0.336911917       1.21554375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:  -1.10991418     out: b-111-All-Rlx|gnp-3.80-5.79-0.00.out                        
 C    9.72270966E-04   7.45943642       7.54541874               0
 C   0.482117414       6.32886410       6.89554834               0
 C   0.985661268       3.83004332       5.41511583               0
 C   0.977424145       2.64173293       4.71705818               0
 C   0.405089140      0.145850182       3.26869488               0
 C  -0.150840998     -0.944880962       2.62155533               0
 C  -0.369377375       8.59551525       6.82715893               0
 C  -0.181160688       8.64584827       5.42234373               0
 C   0.621149778       6.29941940       5.48938990               0
 C   0.359185934       7.48936462       4.74796915               0
 C   0.902713776       5.07530403       4.75720549               0
 C   0.940318823       5.08434200       3.33551526               0
 C   0.888976812       2.61105871       3.30924726               0
 C   0.934055090       3.84845972       2.60845566               0
 C   0.577682257       1.38324690       2.59994006               0
 C   0.306677341       1.45204735       1.20430911               0
 C  -0.546124220     -0.861590385       1.27943373               0
 C  -0.274127245      0.314170361      0.532352090               0
 C  -0.590720415       9.78399372       4.64658785               0
 C  -0.263900518       9.87831688       3.25698781               0
 C   0.551385164       7.52479076       3.32637429               0
 C   0.319456816       8.73070145       2.59598851               0
 C   0.852350950       6.32498693       2.62137914               0
 C   0.923171759       6.33491421       1.19908977               0
 C   0.837773323       3.86753607       1.17760742               0
 C   0.915378332       5.10312223      0.473644763               0
 C   0.515243769       2.67100096      0.475272119               0
 C   0.274863958       2.72254539     -0.931961000               0
 C  -0.652178049      0.427036762     -0.848788440               0
 C  -0.308551073       1.58421659      -1.60789299               0
 C  -0.598082304       11.0295715       2.48460293               0
 C  -0.224803209       11.1252975       1.10585093               0
 C   0.548008442       8.77065086       1.19361091               0
 C   0.346860886       9.98280144      0.457604825               0
 C   0.848575592       7.56829739      0.490648031               0
 C   0.921139479       7.58213615     -0.934728682               0
 C   0.821897030       5.12384272     -0.948390901               0
 C   0.902700663       6.36206341      -1.65479970               0
 C   0.498369217       3.92734146      -1.65446591               0
 C   0.272088528       3.98337197      -3.06887269               0
 C  -0.636164427       1.68609285      -2.99380970               0
 C  -0.283859015       2.84893703      -3.74758983               0
 C  -0.426230192       12.3206463      0.343163699               0
 C   -3.12304497E-03   12.3983774     -0.972277462               0
 C   0.626274347       10.0302944     -0.934722841               0
 C   0.517157555       11.2666607      -1.64261556               0
 C   0.901405573       8.82197380      -1.64435029               0
 C    1.03116012       8.85229111      -3.06021595               0
 C   0.825296164       6.38991976      -3.08192515               0
 C   0.951285839       7.61695433      -3.79336333               0
 C   0.500772715       5.18906546      -3.78701425               0
 C   0.307898998       5.22184181      -5.20530367               0
 C  -0.517955542       2.92882228      -5.15775442               0
 C  -0.180968046       4.07028913      -5.86385250               0
 C   0.864676476       11.2863064      -3.01898694               0
 C    1.11665034       10.1221867      -3.70052624               0
 C   0.856633902       7.58941555      -5.21383476               0
 C   0.543740273       6.43958807      -5.89342308               0
 H  -0.125597239       7.44301939       8.63169289               0
 H   0.706606865       5.43984270       7.48742008               0
 H   0.997989416       3.78799987       6.50562525               0
 H   0.975419044       1.70998907       5.28520250               0
 H   0.663071632       5.39565086E-02   4.32459307               0
 H  -0.311454535      -1.87599802       3.17142963               0
 H  -0.779824495       9.47097492       7.33889484               0
 H  -0.973954439      -1.73018456      0.770607829               0
 H  -0.907405138       10.6920528       5.16869450               0
 H  -0.974985838     -0.473350048      -1.37993407               0
 H  -0.944208384       11.9323826       2.99774146               0
 H  -0.954514742      0.786608696      -3.52999830               0
 H  -0.851203203       13.1975288      0.843183994               0
 H  -0.903160334       2.04595256      -5.67867565               0
 H  -0.122671366       13.3354263      -1.52649212               0
 H   0.887098789       12.2482758      -3.54086328               0
 H    1.35035062       10.1744976      -4.76579714               0
 H   0.975753069       8.51512909      -5.77838898               0
 H   0.422162771       6.45610332      -6.98118496               0
 H  -0.336911917       4.10554361      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.913596213     out: b-111-All-Rlx|gnp-4.40-0.00-0.00.out                        
 C   0.600972414       1.66943645       7.54541874               0
 C    1.08211756      0.538864374       6.89554834               0
 C    1.58566141      -1.95995665       5.41511583               0
 C    1.57742429      -3.14826703       4.71705818               0
 C    1.00508928      -5.64414978       3.26869488               0
 C   0.449159145      -6.73488092       2.62155533               0
 C   0.230622768       2.80551529       6.82715893               0
 C   0.418839455       2.85584807       5.42234373               0
 C    1.22114992      0.509419680       5.48938990               0
 C   0.959186077       1.69936466       4.74796915               0
 C    1.50271392     -0.714695692       4.75720549               0
 C    1.54031897     -0.705657840       3.33551526               0
 C    1.48897696      -3.17894125       3.30924726               0
 C    1.53405523      -1.94154024       2.60845566               0
 C    1.17768240      -4.40675306       2.59994006               0
 C   0.906677485      -4.33795261       1.20430911               0
 C    5.38759232E-02  -6.65159035       1.27943373               0
 C   0.325872898      -5.47582960      0.532352090               0
 C    9.27972794E-03   3.99399352       4.64658785               0
 C   0.336099625       4.08831644       3.25698781               0
 C    1.15138531       1.73479080       3.32637429               0
 C   0.919456959       2.94070196       2.59598851               0
 C    1.45235109      0.534987152       2.62137914               0
 C    1.52317190      0.544914126       1.19908977               0
 C    1.43777347      -1.92246389       1.17760742               0
 C    1.51537848     -0.686877906      0.473644763               0
 C    1.11524391      -3.11899900      0.475272119               0
 C   0.874864101      -3.06745458     -0.931961000               0
 C   -5.21779060E-02  -5.36296320     -0.848788440               0
 C   0.291449070      -4.20578337      -1.60789299               0
 C    1.91783905E-03   5.23957205       2.48460293               0
 C   0.375196934       5.33529711       1.10585093               0
 C    1.14800858       2.98065114       1.19361091               0
 C   0.946861029       4.19280100      0.457604825               0
 C    1.44857574       1.77829719      0.490648031               0
 C    1.52113962       1.79213595     -0.934728682               0
 C    1.42189717     -0.666157305     -0.948390901               0
 C    1.50270081      0.572063267      -1.65479970               0
 C    1.09836936      -1.86265850      -1.65446591               0
 C   0.872088671      -1.80662799      -3.06887269               0
 C   -3.61642838E-02  -4.10390711      -2.99380970               0
 C   0.316141129      -2.94106293      -3.74758983               0
 C   0.173769951       6.53064680      0.343163699               0
 C   0.596877098       6.60837746     -0.972277462               0
 C    1.22627449       4.24029398     -0.934722841               0
 C    1.11715770       5.47666121      -1.64261556               0
 C    1.50140572       3.03197408      -1.64435029               0
 C    1.63116026       3.06229091      -3.06021595               0
 C    1.42529631      0.599919736      -3.08192515               0
 C    1.55128598       1.82695436      -3.79336333               0
 C    1.10077286     -0.600934327      -3.78701425               0
 C   0.907899141     -0.568158269      -5.20530367               0
 C    8.20446014E-02  -2.86117768      -5.15775442               0
 C   0.419032097      -1.71971083      -5.86385250               0
 C    1.46467662       5.49630642      -3.01898694               0
 C    1.71665049       4.33218622      -3.70052624               0
 C    1.45663404       1.79941559      -5.21383476               0
 C    1.14374042      0.649588227      -5.89342308               0
 H   0.474402905       1.65301943       8.63169289               0
 H    1.30660701     -0.350157380       7.48742008               0
 H    1.59798956      -2.00200009       6.50562525               0
 H    1.57541919      -4.08001089       5.28520250               0
 H    1.26307178      -5.73604345       4.32459307               0
 H   0.288545609      -7.66599798       3.17142963               0
 H  -0.179824352       3.68097496       7.33889484               0
 H  -0.373954296      -7.52018452      0.770607829               0
 H  -0.307404995       4.90205336       5.16869450               0
 H  -0.374985695      -6.26335001      -1.37993407               0
 H  -0.344208241       6.14238310       2.99774146               0
 H  -0.354514599      -5.00339127      -3.52999830               0
 H  -0.251203060       7.40752935      0.843183994               0
 H  -0.303160191      -3.74404740      -5.67867565               0
 H   0.477328777       7.54542685      -1.52649212               0
 H    1.48709893       6.45827627      -3.54086328               0
 H    1.95035076       4.38449812      -4.76579714               0
 H    1.57575321       2.72512960      -5.77838898               0
 H    1.02216291      0.666103244      -6.98118496               0
 H   0.263088226      -1.68445635      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.568381011     out: b-111-All-Rlx|gnp-4.40-0.00-4.98.out                        
 C   0.600972414       1.66943645       12.5254192               0
 C    1.08211756      0.538864374       11.8755484               0
 C    1.58566141      -1.95995665       10.3951159               0
 C    1.57742429      -3.14826703       9.69705772               0
 C    1.00508928      -5.64414978       8.24869537               0
 C   0.449159145      -6.73488092       7.60155535               0
 C   0.230622768       2.80551529       11.8071594               0
 C   0.418839455       2.85584807       10.4023438               0
 C    1.22114992      0.509419680       10.4693899               0
 C   0.959186077       1.69936466       9.72796917               0
 C    1.50271392     -0.714695692       9.73720551               0
 C    1.54031897     -0.705657840       8.31551552               0
 C    1.48897696      -3.17894125       8.28924751               0
 C    1.53405523      -1.94154024       7.58845568               0
 C    1.17768240      -4.40675306       7.57993984               0
 C   0.906677485      -4.33795261       6.18430901               0
 C    5.38759232E-02  -6.65159035       6.25943375               0
 C   0.325872898      -5.47582960       5.51235199               0
 C    9.27972794E-03   3.99399352       9.62658787               0
 C   0.336099625       4.08831644       8.23698807               0
 C    1.15138531       1.73479080       8.30637455               0
 C   0.919456959       2.94070196       7.57598877               0
 C    1.45235109      0.534987152       7.60137939               0
 C    1.52317190      0.544914126       6.17908955               0
 C    1.43777347      -1.92246389       6.15760756               0
 C    1.51537848     -0.686877906       5.45364475               0
 C    1.11524391      -3.11899900       5.45527220               0
 C   0.874864101      -3.06745458       4.04803896               0
 C   -5.21779060E-02  -5.36296320       4.13121176               0
 C   0.291449070      -4.20578337       3.37210703               0
 C    1.91783905E-03   5.23957205       7.46460295               0
 C   0.375196934       5.33529711       6.08585072               0
 C    1.14800858       2.98065114       6.17361069               0
 C   0.946861029       4.19280100       5.43760490               0
 C    1.44857574       1.77829719       5.47064781               0
 C    1.52113962       1.79213595       4.04527140               0
 C    1.42189717     -0.666157305       4.03160906               0
 C    1.50270081      0.572063267       3.32520032               0
 C    1.09836936      -1.86265850       3.32553411               0
 C   0.872088671      -1.80662799       1.91112733               0
 C   -3.61642838E-02  -4.10390711       1.98619032               0
 C   0.316141129      -2.94106293       1.23241019               0
 C   0.173769951       6.53064680       5.32316351               0
 C   0.596877098       6.60837746       4.00772238               0
 C    1.22627449       4.24029398       4.04527712               0
 C    1.11715770       5.47666121       3.33738446               0
 C    1.50140572       3.03197408       3.33564973               0
 C    1.63116026       3.06229091       1.91978407               0
 C    1.42529631      0.599919736       1.89807487               0
 C    1.55128598       1.82695436       1.18663669               0
 C    1.10077286     -0.600934327       1.19298577               0
 C   0.907899141     -0.568158269     -0.225303650               0
 C    8.20446014E-02  -2.86117768     -0.177754402               0
 C   0.419032097      -1.71971083     -0.883852482               0
 C    1.46467662       5.49630642       1.96101308               0
 C    1.71665049       4.33218622       1.27947378               0
 C    1.45663404       1.79941559     -0.233834743               0
 C    1.14374042      0.649588227     -0.913423061               0
 H   0.474402905       1.65301943       13.6116924               0
 H    1.30660701     -0.350157380       12.4674206               0
 H    1.59798956      -2.00200009       11.4856253               0
 H    1.57541919      -4.08001089       10.2652025               0
 H    1.26307178      -5.73604345       9.30459309               0
 H   0.288545609      -7.66599798       8.15143013               0
 H  -0.179824352       3.68097496       12.3188953               0
 H  -0.373954296      -7.52018452       5.75060797               0
 H  -0.307404995       4.90205336       10.1486950               0
 H  -0.374985695      -6.26335001       3.60006595               0
 H  -0.344208241       6.14238310       7.97774124               0
 H  -0.354514599      -5.00339127       1.45000172               0
 H  -0.251203060       7.40752935       5.82318401               0
 H  -0.303160191      -3.74404740     -0.698675632               0
 H   0.477328777       7.54542685       3.45350790               0
 H    1.48709893       6.45827627       1.43913674               0
 H    1.95035076       4.38449812      0.214202881               0
 H    1.57575321       2.72512960     -0.798388958               0
 H    1.02216291      0.666103244      -2.00118494               0
 H   0.263088226      -1.68445635      -1.96703482               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.892784953     out: b-111-All-Rlx|gnp-4.40-0.84-0.00.out                        
 C   0.600972414       2.50943637       7.54541874               0
 C    1.08211756       1.37886429       6.89554834               0
 C    1.58566141      -1.11995673       5.41511583               0
 C    1.57742429      -2.30826712       4.71705818               0
 C    1.00508928      -4.80414963       3.26869488               0
 C   0.449159145      -5.89488077       2.62155533               0
 C   0.230622768       3.64551520       6.82715893               0
 C   0.418839455       3.69584799       5.42234373               0
 C    1.22114992       1.34941959       5.48938990               0
 C   0.959186077       2.53936458       4.74796915               0
 C    1.50271392      0.125304282       4.75720549               0
 C    1.54031897      0.134342134       3.33551526               0
 C    1.48897696      -2.33894134       3.30924726               0
 C    1.53405523      -1.10154033       2.60845566               0
 C    1.17768240      -3.56675315       2.59994006               0
 C   0.906677485      -3.49795270       1.20430911               0
 C    5.38759232E-02  -5.81159019       1.27943373               0
 C   0.325872898      -4.63582945      0.532352090               0
 C    9.27972794E-03   4.83399343       4.64658785               0
 C   0.336099625       4.92831659       3.25698781               0
 C    1.15138531       2.57479072       3.32637429               0
 C   0.919456959       3.78070188       2.59598851               0
 C    1.45235109       1.37498713       2.62137914               0
 C    1.52317190       1.38491416       1.19908977               0
 C    1.43777347      -1.08246398       1.17760742               0
 C    1.51537848      0.153122067      0.473644763               0
 C    1.11524391      -2.27899909      0.475272119               0
 C   0.874864101      -2.22745466     -0.931961000               0
 C   -5.21779060E-02  -4.52296305     -0.848788440               0
 C   0.291449070      -3.36578345      -1.60789299               0
 C    1.91783905E-03   6.07957220       2.48460293               0
 C   0.375196934       6.17529726       1.10585093               0
 C    1.14800858       3.82065105       1.19361091               0
 C   0.946861029       5.03280115      0.457604825               0
 C    1.44857574       2.61829710      0.490648031               0
 C    1.52113962       2.63213587     -0.934728682               0
 C    1.42189717      0.173842669     -0.948390901               0
 C    1.50270081       1.41206324      -1.65479970               0
 C    1.09836936      -1.02265859      -1.65446591               0
 C   0.872088671     -0.966628015      -3.06887269               0
 C   -3.61642838E-02  -3.26390719      -2.99380970               0
 C   0.316141129      -2.10106301      -3.74758983               0
 C   0.173769951       7.37064695      0.343163699               0
 C   0.596877098       7.44837761     -0.972277462               0
 C    1.22627449       5.08029413     -0.934722841               0
 C    1.11715770       6.31666136      -1.64261556               0
 C    1.50140572       3.87197399      -1.64435029               0
 C    1.63116026       3.90229082      -3.06021595               0
 C    1.42529631       1.43991971      -3.08192515               0
 C    1.55128598       2.66695428      -3.79336333               0
 C    1.10077286      0.239065647      -3.78701425               0
 C   0.907899141      0.271841705      -5.20530367               0
 C    8.20446014E-02  -2.02117777      -5.15775442               0
 C   0.419032097     -0.879710853      -5.86385250               0
 C    1.46467662       6.33630657      -3.01898694               0
 C    1.71665049       5.17218637      -3.70052624               0
 C    1.45663404       2.63941550      -5.21383476               0
 C    1.14374042       1.48958826      -5.89342308               0
 H   0.474402905       2.49301934       8.63169289               0
 H    1.30660701      0.489842594       7.48742008               0
 H    1.59798956      -1.16200018       6.50562525               0
 H    1.57541919      -3.24001098       5.28520250               0
 H    1.26307178      -4.89604330       4.32459307               0
 H   0.288545609      -6.82599783       3.17142963               0
 H  -0.179824352       4.52097511       7.33889484               0
 H  -0.373954296      -6.68018436      0.770607829               0
 H  -0.307404995       5.74205351       5.16869450               0
 H  -0.374985695      -5.42334986      -1.37993407               0
 H  -0.344208241       6.98238325       2.99774146               0
 H  -0.354514599      -4.16339111      -3.52999830               0
 H  -0.251203060       8.24752903      0.843183994               0
 H  -0.303160191      -2.90404749      -5.67867565               0
 H   0.477328777       8.38542652      -1.52649212               0
 H    1.48709893       7.29827642      -3.54086328               0
 H    1.95035076       5.22449827      -4.76579714               0
 H    1.57575321       3.56512952      -5.77838898               0
 H    1.02216291       1.50610328      -6.98118496               0
 H   0.263088226     -0.844456375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.788685560     out: b-111-All-Rlx|gnp-4.40--1.25-2.16.out                       
 C   0.600972414      0.419436455       9.70541859               0
 C    1.08211756     -0.711135626       9.05554867               0
 C    1.58566141      -3.20995665       7.57511616               0
 C    1.57742429      -4.39826679       6.87705803               0
 C    1.00508928      -6.89414978       5.42869473               0
 C   0.449159145      -7.98488092       4.78155518               0
 C   0.230622768       1.55551529       8.98715878               0
 C   0.418839455       1.60584807       7.58234406               0
 C    1.22114992     -0.740580320       7.64939022               0
 C   0.959186077      0.449364662       6.90796947               0
 C    1.50271392      -1.96469569       6.91720581               0
 C    1.54031897      -1.95565784       5.49551535               0
 C    1.48897696      -4.42894125       5.46924734               0
 C    1.53405523      -3.19154024       4.76845551               0
 C    1.17768240      -5.65675306       4.75994015               0
 C   0.906677485      -5.58795261       3.36430931               0
 C    5.38759232E-02  -7.90159035       3.43943381               0
 C   0.325872898      -6.72582960       2.69235229               0
 C    9.27972794E-03   2.74399352       6.80658817               0
 C   0.336099625       2.83831644       5.41698790               0
 C    1.15138531      0.484790802       5.48637438               0
 C   0.919456959       1.69070196       4.75598860               0
 C    1.45235109     -0.715012848       4.78137922               0
 C    1.52317190     -0.705085874       3.35908985               0
 C    1.43777347      -3.17246389       3.33760738               0
 C    1.51537848      -1.93687797       2.63364482               0
 C    1.11524391      -4.36899900       2.63527226               0
 C   0.874864101      -4.31745434       1.22803903               0
 C   -5.21779060E-02  -6.61296320       1.31121159               0
 C   0.291449070      -5.45578337      0.552107096               0
 C    1.91783905E-03   3.98957205       4.64460278               0
 C   0.375196934       4.08529711       3.26585102               0
 C    1.14800858       1.73065114       3.35361099               0
 C   0.946861029       2.94280100       2.61760497               0
 C    1.44857574      0.528297186       2.65064812               0
 C    1.52113962      0.542135954       1.22527146               0
 C    1.42189717      -1.91615725       1.21160913               0
 C    1.50270081     -0.677936733      0.505200386               0
 C    1.09836936      -3.11265850      0.505534172               0
 C   0.872088671      -3.05662799     -0.908872604               0
 C   -3.61642838E-02  -5.35390711     -0.833809614               0
 C   0.316141129      -4.19106293      -1.58758974               0
 C   0.173769951       5.28064680       2.50316381               0
 C   0.596877098       5.35837746       1.18772268               0
 C    1.22627449       2.99029398       1.22527719               0
 C    1.11715770       4.22666121      0.517384529               0
 C    1.50140572       1.78197408      0.515649796               0
 C    1.63116026       1.81229091     -0.900215864               0
 C    1.42529631     -0.650080264     -0.921925068               0
 C    1.55128598      0.576954365      -1.63336325               0
 C    1.10077286      -1.85093427      -1.62701416               0
 C   0.907899141      -1.81815827      -3.04530358               0
 C    8.20446014E-02  -4.11117744      -2.99775434               0
 C   0.419032097      -2.96971083      -3.70385242               0
 C    1.46467662       4.24630642     -0.858986855               0
 C    1.71665049       3.08218622      -1.54052615               0
 C    1.45663404      0.549415588      -3.05383468               0
 C    1.14374042     -0.600411773      -3.73342299               0
 H   0.474402905      0.403019428       10.7916927               0
 H    1.30660701      -1.60015738       9.64741993               0
 H    1.59798956      -3.25200009       8.66562557               0
 H    1.57541919      -5.33001089       7.44520283               0
 H    1.26307178      -6.98604345       6.48459339               0
 H   0.288545609      -8.91599846       5.33142948               0
 H  -0.179824352       2.43097496       9.49889469               0
 H  -0.373954296      -8.77018452       2.93060780               0
 H  -0.307404995       3.65205336       7.32869434               0
 H  -0.374985695      -7.51335001      0.780066013               0
 H  -0.344208241       4.89238310       5.15774155               0
 H  -0.354514599      -6.25339127      -1.36999822               0
 H  -0.251203060       6.15752935       3.00318408               0
 H  -0.303160191      -4.99404716      -3.51867557               0
 H   0.477328777       6.29542685      0.633507967               0
 H    1.48709893       5.20827627      -1.38086319               0
 H    1.95035076       3.13449812      -2.60579705               0
 H    1.57575321       1.47512960      -3.61838889               0
 H    1.02216291     -0.583896756      -4.82118511               0
 H   0.263088226      -2.93445635      -4.78703499               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.779348373     out: b-111-All-Rlx|gnp-4.40-2.90-0.00.out                        
 C   0.600972414       4.56943655       7.54541874               0
 C    1.08211756       3.43886447       6.89554834               0
 C    1.58566141      0.940043449       5.41511583               0
 C    1.57742429     -0.248266935       4.71705818               0
 C    1.00508928      -2.74414968       3.26869488               0
 C   0.449159145      -3.83488083       2.62155533               0
 C   0.230622768       5.70551538       6.82715893               0
 C   0.418839455       5.75584793       5.42234373               0
 C    1.22114992       3.40941978       5.48938990               0
 C   0.959186077       4.59936476       4.74796915               0
 C    1.50271392       2.18530440       4.75720549               0
 C    1.54031897       2.19434214       3.33551526               0
 C    1.48897696     -0.278941154       3.30924726               0
 C    1.53405523      0.958459854       2.60845566               0
 C    1.17768240      -1.50675297       2.59994006               0
 C   0.906677485      -1.43795252       1.20430911               0
 C    5.38759232E-02  -3.75159025       1.27943373               0
 C   0.325872898      -2.57582951      0.532352090               0
 C    9.27972794E-03   6.89399338       4.64658785               0
 C   0.336099625       6.98831654       3.25698781               0
 C    1.15138531       4.63479090       3.32637429               0
 C   0.919456959       5.84070206       2.59598851               0
 C    1.45235109       3.43498731       2.62137914               0
 C    1.52317190       3.44491434       1.19908977               0
 C    1.43777347      0.977536201       1.17760742               0
 C    1.51537848       2.21312213      0.473644763               0
 C    1.11524391     -0.218998909      0.475272119               0
 C   0.874864101     -0.167454481     -0.931961000               0
 C   -5.21779060E-02  -2.46296310     -0.848788440               0
 C   0.291449070      -1.30578327      -1.60789299               0
 C    1.91783905E-03   8.13957214       2.48460293               0
 C   0.375196934       8.23529720       1.10585093               0
 C    1.14800858       5.88065147       1.19361091               0
 C   0.946861029       7.09280109      0.457604825               0
 C    1.44857574       4.67829704      0.490648031               0
 C    1.52113962       4.69213581     -0.934728682               0
 C    1.42189717       2.23384285     -0.948390901               0
 C    1.50270081       3.47206330      -1.65479970               0
 C    1.09836936       1.03734159      -1.65446591               0
 C   0.872088671       1.09337211      -3.06887269               0
 C   -3.61642838E-02  -1.20390701      -2.99380970               0
 C   0.316141129      -4.10628319E-02  -3.74758983               0
 C   0.173769951       9.43064690      0.343163699               0
 C   0.596877098       9.50837708     -0.972277462               0
 C    1.22627449       7.14029408     -0.934722841               0
 C    1.11715770       8.37666130      -1.64261556               0
 C    1.50140572       5.93197441      -1.64435029               0
 C    1.63116026       5.96229076      -3.06021595               0
 C    1.42529631       3.49991989      -3.08192515               0
 C    1.55128598       4.72695446      -3.79336333               0
 C    1.10077286       2.29906583      -3.78701425               0
 C   0.907899141       2.33184195      -5.20530367               0
 C    8.20446014E-02   3.88224125E-02  -5.15775442               0
 C   0.419032097       1.18028927      -5.86385250               0
 C    1.46467662       8.39630699      -3.01898694               0
 C    1.71665049       7.23218632      -3.70052624               0
 C    1.45663404       4.69941568      -5.21383476               0
 C    1.14374042       3.54958820      -5.89342308               0
 H   0.474402905       4.55301952       8.63169289               0
 H    1.30660701       2.54984283       7.48742008               0
 H    1.59798956      0.898000002       6.50562525               0
 H    1.57541919      -1.18001080       5.28520250               0
 H    1.26307178      -2.83604336       4.32459307               0
 H   0.288545609      -4.76599789       3.17142963               0
 H  -0.179824352       6.58097506       7.33889484               0
 H  -0.373954296      -4.62018442      0.770607829               0
 H  -0.307404995       7.80205345       5.16869450               0
 H  -0.374985695      -3.36334991      -1.37993407               0
 H  -0.344208241       9.04238319       2.99774146               0
 H  -0.354514599      -2.10339117      -3.52999830               0
 H  -0.251203060       10.3075294      0.843183994               0
 H  -0.303160191     -0.844047308      -5.67867565               0
 H   0.477328777       10.4454269      -1.52649212               0
 H    1.48709893       9.35827637      -3.54086328               0
 H    1.95035076       7.28449821      -4.76579714               0
 H    1.57575321       5.62512970      -5.77838898               0
 H    1.02216291       3.56610346      -6.98118496               0
 H   0.263088226       1.21554375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.637046158     out: b-111-All-Rlx|gnp-4.40-5.79-0.00.out                        
 C   0.600972414       7.45943642       7.54541874               0
 C    1.08211756       6.32886410       6.89554834               0
 C    1.58566141       3.83004332       5.41511583               0
 C    1.57742429       2.64173293       4.71705818               0
 C    1.00508928      0.145850182       3.26869488               0
 C   0.449159145     -0.944880962       2.62155533               0
 C   0.230622768       8.59551525       6.82715893               0
 C   0.418839455       8.64584827       5.42234373               0
 C    1.22114992       6.29941940       5.48938990               0
 C   0.959186077       7.48936462       4.74796915               0
 C    1.50271392       5.07530403       4.75720549               0
 C    1.54031897       5.08434200       3.33551526               0
 C    1.48897696       2.61105871       3.30924726               0
 C    1.53405523       3.84845972       2.60845566               0
 C    1.17768240       1.38324690       2.59994006               0
 C   0.906677485       1.45204735       1.20430911               0
 C    5.38759232E-02 -0.861590385       1.27943373               0
 C   0.325872898      0.314170361      0.532352090               0
 C    9.27972794E-03   9.78399372       4.64658785               0
 C   0.336099625       9.87831688       3.25698781               0
 C    1.15138531       7.52479076       3.32637429               0
 C   0.919456959       8.73070145       2.59598851               0
 C    1.45235109       6.32498693       2.62137914               0
 C    1.52317190       6.33491421       1.19908977               0
 C    1.43777347       3.86753607       1.17760742               0
 C    1.51537848       5.10312223      0.473644763               0
 C    1.11524391       2.67100096      0.475272119               0
 C   0.874864101       2.72254539     -0.931961000               0
 C   -5.21779060E-02  0.427036762     -0.848788440               0
 C   0.291449070       1.58421659      -1.60789299               0
 C    1.91783905E-03   11.0295715       2.48460293               0
 C   0.375196934       11.1252975       1.10585093               0
 C    1.14800858       8.77065086       1.19361091               0
 C   0.946861029       9.98280144      0.457604825               0
 C    1.44857574       7.56829739      0.490648031               0
 C    1.52113962       7.58213615     -0.934728682               0
 C    1.42189717       5.12384272     -0.948390901               0
 C    1.50270081       6.36206341      -1.65479970               0
 C    1.09836936       3.92734146      -1.65446591               0
 C   0.872088671       3.98337197      -3.06887269               0
 C   -3.61642838E-02   1.68609285      -2.99380970               0
 C   0.316141129       2.84893703      -3.74758983               0
 C   0.173769951       12.3206463      0.343163699               0
 C   0.596877098       12.3983774     -0.972277462               0
 C    1.22627449       10.0302944     -0.934722841               0
 C    1.11715770       11.2666607      -1.64261556               0
 C    1.50140572       8.82197380      -1.64435029               0
 C    1.63116026       8.85229111      -3.06021595               0
 C    1.42529631       6.38991976      -3.08192515               0
 C    1.55128598       7.61695433      -3.79336333               0
 C    1.10077286       5.18906546      -3.78701425               0
 C   0.907899141       5.22184181      -5.20530367               0
 C    8.20446014E-02   2.92882228      -5.15775442               0
 C   0.419032097       4.07028913      -5.86385250               0
 C    1.46467662       11.2863064      -3.01898694               0
 C    1.71665049       10.1221867      -3.70052624               0
 C    1.45663404       7.58941555      -5.21383476               0
 C    1.14374042       6.43958807      -5.89342308               0
 H   0.474402905       7.44301939       8.63169289               0
 H    1.30660701       5.43984270       7.48742008               0
 H    1.59798956       3.78799987       6.50562525               0
 H    1.57541919       1.70998907       5.28520250               0
 H    1.26307178       5.39565086E-02   4.32459307               0
 H   0.288545609      -1.87599802       3.17142963               0
 H  -0.179824352       9.47097492       7.33889484               0
 H  -0.373954296      -1.73018456      0.770607829               0
 H  -0.307404995       10.6920528       5.16869450               0
 H  -0.374985695     -0.473350048      -1.37993407               0
 H  -0.344208241       11.9323826       2.99774146               0
 H  -0.354514599      0.786608696      -3.52999830               0
 H  -0.251203060       13.1975288      0.843183994               0
 H  -0.303160191       2.04595256      -5.67867565               0
 H   0.477328777       13.3354263      -1.52649212               0
 H    1.48709893       12.2482758      -3.54086328               0
 H    1.95035076       10.1744976      -4.76579714               0
 H    1.57575321       8.51512909      -5.77838898               0
 H    1.02216291       6.45610332      -6.98118496               0
 H   0.263088226       4.10554361      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.385007650     out: b-111-All-Rlx|gnp-5.00-0.00-0.00.out                        
 C    1.20097232       1.66943645       7.54541874               0
 C    1.68211746      0.538864374       6.89554834               0
 C    2.18566132      -1.95995665       5.41511583               0
 C    2.17742419      -3.14826703       4.71705818               0
 C    1.60508919      -5.64414978       3.26869488               0
 C    1.04915905      -6.73488092       2.62155533               0
 C   0.830622673       2.80551529       6.82715893               0
 C    1.01883936       2.85584807       5.42234373               0
 C    1.82114983      0.509419680       5.48938990               0
 C    1.55918598       1.69936466       4.74796915               0
 C    2.10271382     -0.714695692       4.75720549               0
 C    2.14031887     -0.705657840       3.33551526               0
 C    2.08897686      -3.17894125       3.30924726               0
 C    2.13405514      -1.94154024       2.60845566               0
 C    1.77768230      -4.40675306       2.59994006               0
 C    1.50667739      -4.33795261       1.20430911               0
 C   0.653875828      -6.65159035       1.27943373               0
 C   0.925872803      -5.47582960      0.532352090               0
 C   0.609279633       3.99399352       4.64658785               0
 C   0.936099529       4.08831644       3.25698781               0
 C    1.75138521       1.73479080       3.32637429               0
 C    1.51945686       2.94070196       2.59598851               0
 C    2.05235100      0.534987152       2.62137914               0
 C    2.12317181      0.544914126       1.19908977               0
 C    2.03777337      -1.92246389       1.17760742               0
 C    2.11537838     -0.686877906      0.473644763               0
 C    1.71524382      -3.11899900      0.475272119               0
 C    1.47486401      -3.06745458     -0.931961000               0
 C   0.547821999      -5.36296320     -0.848788440               0
 C   0.891448975      -4.20578337      -1.60789299               0
 C   0.601917744       5.23957205       2.48460293               0
 C   0.975196838       5.33529711       1.10585093               0
 C    1.74800849       2.98065114       1.19361091               0
 C    1.54686093       4.19280100      0.457604825               0
 C    2.04857564       1.77829719      0.490648031               0
 C    2.12113953       1.79213595     -0.934728682               0
 C    2.02189708     -0.666157305     -0.948390901               0
 C    2.10270071      0.572063267      -1.65479970               0
 C    1.69836926      -1.86265850      -1.65446591               0
 C    1.47208858      -1.80662799      -3.06887269               0
 C   0.563835621      -4.10390711      -2.99380970               0
 C   0.916141033      -2.94106293      -3.74758983               0
 C   0.773769855       6.53064680      0.343163699               0
 C    1.19687700       6.60837746     -0.972277462               0
 C    1.82627439       4.24029398     -0.934722841               0
 C    1.71715760       5.47666121      -1.64261556               0
 C    2.10140562       3.03197408      -1.64435029               0
 C    2.23116016       3.06229091      -3.06021595               0
 C    2.02529621      0.599919736      -3.08192515               0
 C    2.15128589       1.82695436      -3.79336333               0
 C    1.70077276     -0.600934327      -3.78701425               0
 C    1.50789905     -0.568158269      -5.20530367               0
 C   0.682044506      -2.86117768      -5.15775442               0
 C    1.01903200      -1.71971083      -5.86385250               0
 C    2.06467652       5.49630642      -3.01898694               0
 C    2.31665039       4.33218622      -3.70052624               0
 C    2.05663395       1.79941559      -5.21383476               0
 C    1.74374032      0.649588227      -5.89342308               0
 H    1.07440281       1.65301943       8.63169289               0
 H    1.90660691     -0.350157380       7.48742008               0
 H    2.19798946      -2.00200009       6.50562525               0
 H    2.17541909      -4.08001089       5.28520250               0
 H    1.86307168      -5.73604345       4.32459307               0
 H   0.888545513      -7.66599798       3.17142963               0
 H   0.420175552       3.68097496       7.33889484               0
 H   0.226045609      -7.52018452      0.770607829               0
 H   0.292594910       4.90205336       5.16869450               0
 H   0.225014210      -6.26335001      -1.37993407               0
 H   0.255791664       6.14238310       2.99774146               0
 H   0.245485306      -5.00339127      -3.52999830               0
 H   0.348796844       7.40752935      0.843183994               0
 H   0.296839714      -3.74404740      -5.67867565               0
 H    1.07732868       7.54542685      -1.52649212               0
 H    2.08709884       6.45827627      -3.54086328               0
 H    2.55035067       4.38449812      -4.76579714               0
 H    2.17575312       2.72512960      -5.77838898               0
 H    1.62216282      0.666103244      -6.98118496               0
 H   0.863088131      -1.68445635      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.371605486     out: b-111-All-Rlx|gnp-5.00--0.62-1.08.out                       
 C    1.20097232       1.04943645       8.62541866               0
 C    1.68211746      -8.11356306E-02   7.97554827               0
 C    2.18566132      -2.57995653       6.49511576               0
 C    2.17742419      -3.76826715       5.79705811               0
 C    1.60508919      -6.26414967       4.34869480               0
 C    1.04915905      -7.35488081       3.70155525               0
 C   0.830622673       2.18551540       7.90715885               0
 C    1.01883936       2.23584795       6.50234365               0
 C    1.82114983     -0.110580325       6.56938982               0
 C    1.55918598       1.07936466       5.82796907               0
 C    2.10271382      -1.33469570       5.83720541               0
 C    2.14031887      -1.32565784       4.41551542               0
 C    2.08897686      -3.79894114       4.38924742               0
 C    2.13405514      -2.56154013       3.68845558               0
 C    1.77768230      -5.02675295       3.67994022               0
 C    1.50667739      -4.95795250       2.28430915               0
 C   0.653875828      -7.27159023       2.35943365               0
 C   0.925872803      -6.09582949       1.61235213               0
 C   0.609279633       3.37399340       5.72658777               0
 C   0.936099529       3.46831656       4.33698797               0
 C    1.75138521       1.11479080       4.40637445               0
 C    1.51945686       2.32070208       3.67598867               0
 C    2.05235100      -8.50128531E-02   3.70137930               0
 C    2.12317181      -7.50858784E-02   2.27908993               0
 C    2.03777337      -2.54246378       2.25760746               0
 C    2.11537838      -1.30687785       1.55364478               0
 C    1.71524382      -3.73899889       1.55527210               0
 C    1.47486401      -3.68745470      0.148039043               0
 C   0.547821999      -5.98296309      0.231211603               0
 C   0.891448975      -4.82578325     -0.527892947               0
 C   0.601917744       4.61957216       3.56460285               0
 C   0.975196838       4.71529722       2.18585110               0
 C    1.74800849       2.36065102       2.27361107               0
 C    1.54686093       3.57280111       1.53760481               0
 C    2.04857564       1.15829718       1.57064807               0
 C    2.12113953       1.17213595      0.145271361               0
 C    2.02189708      -1.28615737      0.131609142               0
 C    2.10270071      -4.79367375E-02 -0.574799657               0
 C    1.69836926      -2.48265839     -0.574465871               0
 C    1.47208858      -2.42662811      -1.98887265               0
 C   0.563835621      -4.72390699      -1.91380966               0
 C   0.916141033      -3.56106281      -2.66758966               0
 C   0.773769855       5.91064692       1.42316377               0
 C    1.19687700       5.98837757      0.107722580               0
 C    1.82627439       3.62029409      0.145277202               0
 C    1.71715760       4.85666132     -0.562615514               0
 C    2.10140562       2.41197395     -0.564350247               0
 C    2.23116016       2.44229078      -1.98021591               0
 C    2.02529621      -2.00802684E-02  -2.00192499               0
 C    2.15128589       1.20695436      -2.71336317               0
 C    1.70077276      -1.22093439      -2.70701408               0
 C    1.50789905      -1.18815827      -4.12530375               0
 C   0.682044506      -3.48117781      -4.07775450               0
 C    1.01903200      -2.33971071      -4.78385258               0
 C    2.06467652       4.87630653      -1.93898690               0
 C    2.31665039       3.71218634      -2.62052631               0
 C    2.05663395       1.17941558      -4.13383484               0
 C    1.74374032       2.95882225E-02  -4.81342316               0
 H    1.07440281       1.03301942       9.71169281               0
 H    1.90660691     -0.970157385       8.56742001               0
 H    2.19798946      -2.62200022       7.58562517               0
 H    2.17541909      -4.70001078       6.36520243               0
 H    1.86307168      -6.35604334       5.40459299               0
 H   0.888545513      -8.28599834       4.25142956               0
 H   0.420175552       3.06097507       8.41889477               0
 H   0.226045609      -8.14018440       1.85060787               0
 H   0.292594910       4.28205347       6.24869442               0
 H   0.225014210      -6.88334990     -0.299934030               0
 H   0.255791664       5.52238321       4.07774162               0
 H   0.245485306      -5.62339115      -2.44999838               0
 H   0.348796844       6.78752947       1.92318404               0
 H   0.296839714      -4.36404753      -4.59867573               0
 H    1.07732868       6.92542696     -0.446492076               0
 H    2.08709884       5.83827639      -2.46086311               0
 H    2.55035067       3.76449823      -3.68579721               0
 H    2.17575312       2.10512972      -4.69838905               0
 H    1.62216282       4.61032391E-02  -5.90118504               0
 H   0.863088131      -2.30445623      -5.86703491               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.379261971     out: b-111-All-Rlx|gnp-5.00-0.84-0.00.out                        
 C    1.20097232       2.50943637       7.54541874               0
 C    1.68211746       1.37886429       6.89554834               0
 C    2.18566132      -1.11995673       5.41511583               0
 C    2.17742419      -2.30826712       4.71705818               0
 C    1.60508919      -4.80414963       3.26869488               0
 C    1.04915905      -5.89488077       2.62155533               0
 C   0.830622673       3.64551520       6.82715893               0
 C    1.01883936       3.69584799       5.42234373               0
 C    1.82114983       1.34941959       5.48938990               0
 C    1.55918598       2.53936458       4.74796915               0
 C    2.10271382      0.125304282       4.75720549               0
 C    2.14031887      0.134342134       3.33551526               0
 C    2.08897686      -2.33894134       3.30924726               0
 C    2.13405514      -1.10154033       2.60845566               0
 C    1.77768230      -3.56675315       2.59994006               0
 C    1.50667739      -3.49795270       1.20430911               0
 C   0.653875828      -5.81159019       1.27943373               0
 C   0.925872803      -4.63582945      0.532352090               0
 C   0.609279633       4.83399343       4.64658785               0
 C   0.936099529       4.92831659       3.25698781               0
 C    1.75138521       2.57479072       3.32637429               0
 C    1.51945686       3.78070188       2.59598851               0
 C    2.05235100       1.37498713       2.62137914               0
 C    2.12317181       1.38491416       1.19908977               0
 C    2.03777337      -1.08246398       1.17760742               0
 C    2.11537838      0.153122067      0.473644763               0
 C    1.71524382      -2.27899909      0.475272119               0
 C    1.47486401      -2.22745466     -0.931961000               0
 C   0.547821999      -4.52296305     -0.848788440               0
 C   0.891448975      -3.36578345      -1.60789299               0
 C   0.601917744       6.07957220       2.48460293               0
 C   0.975196838       6.17529726       1.10585093               0
 C    1.74800849       3.82065105       1.19361091               0
 C    1.54686093       5.03280115      0.457604825               0
 C    2.04857564       2.61829710      0.490648031               0
 C    2.12113953       2.63213587     -0.934728682               0
 C    2.02189708      0.173842669     -0.948390901               0
 C    2.10270071       1.41206324      -1.65479970               0
 C    1.69836926      -1.02265859      -1.65446591               0
 C    1.47208858     -0.966628015      -3.06887269               0
 C   0.563835621      -3.26390719      -2.99380970               0
 C   0.916141033      -2.10106301      -3.74758983               0
 C   0.773769855       7.37064695      0.343163699               0
 C    1.19687700       7.44837761     -0.972277462               0
 C    1.82627439       5.08029413     -0.934722841               0
 C    1.71715760       6.31666136      -1.64261556               0
 C    2.10140562       3.87197399      -1.64435029               0
 C    2.23116016       3.90229082      -3.06021595               0
 C    2.02529621       1.43991971      -3.08192515               0
 C    2.15128589       2.66695428      -3.79336333               0
 C    1.70077276      0.239065647      -3.78701425               0
 C    1.50789905      0.271841705      -5.20530367               0
 C   0.682044506      -2.02117777      -5.15775442               0
 C    1.01903200     -0.879710853      -5.86385250               0
 C    2.06467652       6.33630657      -3.01898694               0
 C    2.31665039       5.17218637      -3.70052624               0
 C    2.05663395       2.63941550      -5.21383476               0
 C    1.74374032       1.48958826      -5.89342308               0
 H    1.07440281       2.49301934       8.63169289               0
 H    1.90660691      0.489842594       7.48742008               0
 H    2.19798946      -1.16200018       6.50562525               0
 H    2.17541909      -3.24001098       5.28520250               0
 H    1.86307168      -4.89604330       4.32459307               0
 H   0.888545513      -6.82599783       3.17142963               0
 H   0.420175552       4.52097511       7.33889484               0
 H   0.226045609      -6.68018436      0.770607829               0
 H   0.292594910       5.74205351       5.16869450               0
 H   0.225014210      -5.42334986      -1.37993407               0
 H   0.255791664       6.98238325       2.99774146               0
 H   0.245485306      -4.16339111      -3.52999830               0
 H   0.348796844       8.24752903      0.843183994               0
 H   0.296839714      -2.90404749      -5.67867565               0
 H    1.07732868       8.38542652      -1.52649212               0
 H    2.08709884       7.29827642      -3.54086328               0
 H    2.55035067       5.22449827      -4.76579714               0
 H    2.17575312       3.56512952      -5.77838898               0
 H    1.62216282       1.50610328      -6.98118496               0
 H   0.863088131     -0.844456375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.321275830     out: b-111-All-Rlx|gnp-5.00--1.25-2.16.out                       
 C    1.20097232      0.419436455       9.70541859               0
 C    1.68211746     -0.711135626       9.05554867               0
 C    2.18566132      -3.20995665       7.57511616               0
 C    2.17742419      -4.39826679       6.87705803               0
 C    1.60508919      -6.89414978       5.42869473               0
 C    1.04915905      -7.98488092       4.78155518               0
 C   0.830622673       1.55551529       8.98715878               0
 C    1.01883936       1.60584807       7.58234406               0
 C    1.82114983     -0.740580320       7.64939022               0
 C    1.55918598      0.449364662       6.90796947               0
 C    2.10271382      -1.96469569       6.91720581               0
 C    2.14031887      -1.95565784       5.49551535               0
 C    2.08897686      -4.42894125       5.46924734               0
 C    2.13405514      -3.19154024       4.76845551               0
 C    1.77768230      -5.65675306       4.75994015               0
 C    1.50667739      -5.58795261       3.36430931               0
 C   0.653875828      -7.90159035       3.43943381               0
 C   0.925872803      -6.72582960       2.69235229               0
 C   0.609279633       2.74399352       6.80658817               0
 C   0.936099529       2.83831644       5.41698790               0
 C    1.75138521      0.484790802       5.48637438               0
 C    1.51945686       1.69070196       4.75598860               0
 C    2.05235100     -0.715012848       4.78137922               0
 C    2.12317181     -0.705085874       3.35908985               0
 C    2.03777337      -3.17246389       3.33760738               0
 C    2.11537838      -1.93687797       2.63364482               0
 C    1.71524382      -4.36899900       2.63527226               0
 C    1.47486401      -4.31745434       1.22803903               0
 C   0.547821999      -6.61296320       1.31121159               0
 C   0.891448975      -5.45578337      0.552107096               0
 C   0.601917744       3.98957205       4.64460278               0
 C   0.975196838       4.08529711       3.26585102               0
 C    1.74800849       1.73065114       3.35361099               0
 C    1.54686093       2.94280100       2.61760497               0
 C    2.04857564      0.528297186       2.65064812               0
 C    2.12113953      0.542135954       1.22527146               0
 C    2.02189708      -1.91615725       1.21160913               0
 C    2.10270071     -0.677936733      0.505200386               0
 C    1.69836926      -3.11265850      0.505534172               0
 C    1.47208858      -3.05662799     -0.908872604               0
 C   0.563835621      -5.35390711     -0.833809614               0
 C   0.916141033      -4.19106293      -1.58758974               0
 C   0.773769855       5.28064680       2.50316381               0
 C    1.19687700       5.35837746       1.18772268               0
 C    1.82627439       2.99029398       1.22527719               0
 C    1.71715760       4.22666121      0.517384529               0
 C    2.10140562       1.78197408      0.515649796               0
 C    2.23116016       1.81229091     -0.900215864               0
 C    2.02529621     -0.650080264     -0.921925068               0
 C    2.15128589      0.576954365      -1.63336325               0
 C    1.70077276      -1.85093427      -1.62701416               0
 C    1.50789905      -1.81815827      -3.04530358               0
 C   0.682044506      -4.11117744      -2.99775434               0
 C    1.01903200      -2.96971083      -3.70385242               0
 C    2.06467652       4.24630642     -0.858986855               0
 C    2.31665039       3.08218622      -1.54052615               0
 C    2.05663395      0.549415588      -3.05383468               0
 C    1.74374032     -0.600411773      -3.73342299               0
 H    1.07440281      0.403019428       10.7916927               0
 H    1.90660691      -1.60015738       9.64741993               0
 H    2.19798946      -3.25200009       8.66562557               0
 H    2.17541909      -5.33001089       7.44520283               0
 H    1.86307168      -6.98604345       6.48459339               0
 H   0.888545513      -8.91599846       5.33142948               0
 H   0.420175552       2.43097496       9.49889469               0
 H   0.226045609      -8.77018452       2.93060780               0
 H   0.292594910       3.65205336       7.32869434               0
 H   0.225014210      -7.51335001      0.780066013               0
 H   0.255791664       4.89238310       5.15774155               0
 H   0.245485306      -6.25339127      -1.36999822               0
 H   0.348796844       6.15752935       3.00318408               0
 H   0.296839714      -4.99404716      -3.51867557               0
 H    1.07732868       6.29542685      0.633507967               0
 H    2.08709884       5.20827627      -1.38086319               0
 H    2.55035067       3.13449812      -2.60579705               0
 H    2.17575312       1.47512960      -3.61838889               0
 H    1.62216282     -0.583896756      -4.82118511               0
 H   0.863088131      -2.93445635      -4.78703499               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.336741298     out: b-111-All-Rlx|gnp-5.00-2.90-0.00.out                        
 C    1.20097232       4.56943655       7.54541874               0
 C    1.68211746       3.43886447       6.89554834               0
 C    2.18566132      0.940043449       5.41511583               0
 C    2.17742419     -0.248266935       4.71705818               0
 C    1.60508919      -2.74414968       3.26869488               0
 C    1.04915905      -3.83488083       2.62155533               0
 C   0.830622673       5.70551538       6.82715893               0
 C    1.01883936       5.75584793       5.42234373               0
 C    1.82114983       3.40941978       5.48938990               0
 C    1.55918598       4.59936476       4.74796915               0
 C    2.10271382       2.18530440       4.75720549               0
 C    2.14031887       2.19434214       3.33551526               0
 C    2.08897686     -0.278941154       3.30924726               0
 C    2.13405514      0.958459854       2.60845566               0
 C    1.77768230      -1.50675297       2.59994006               0
 C    1.50667739      -1.43795252       1.20430911               0
 C   0.653875828      -3.75159025       1.27943373               0
 C   0.925872803      -2.57582951      0.532352090               0
 C   0.609279633       6.89399338       4.64658785               0
 C   0.936099529       6.98831654       3.25698781               0
 C    1.75138521       4.63479090       3.32637429               0
 C    1.51945686       5.84070206       2.59598851               0
 C    2.05235100       3.43498731       2.62137914               0
 C    2.12317181       3.44491434       1.19908977               0
 C    2.03777337      0.977536201       1.17760742               0
 C    2.11537838       2.21312213      0.473644763               0
 C    1.71524382     -0.218998909      0.475272119               0
 C    1.47486401     -0.167454481     -0.931961000               0
 C   0.547821999      -2.46296310     -0.848788440               0
 C   0.891448975      -1.30578327      -1.60789299               0
 C   0.601917744       8.13957214       2.48460293               0
 C   0.975196838       8.23529720       1.10585093               0
 C    1.74800849       5.88065147       1.19361091               0
 C    1.54686093       7.09280109      0.457604825               0
 C    2.04857564       4.67829704      0.490648031               0
 C    2.12113953       4.69213581     -0.934728682               0
 C    2.02189708       2.23384285     -0.948390901               0
 C    2.10270071       3.47206330      -1.65479970               0
 C    1.69836926       1.03734159      -1.65446591               0
 C    1.47208858       1.09337211      -3.06887269               0
 C   0.563835621      -1.20390701      -2.99380970               0
 C   0.916141033      -4.10628319E-02  -3.74758983               0
 C   0.773769855       9.43064690      0.343163699               0
 C    1.19687700       9.50837708     -0.972277462               0
 C    1.82627439       7.14029408     -0.934722841               0
 C    1.71715760       8.37666130      -1.64261556               0
 C    2.10140562       5.93197441      -1.64435029               0
 C    2.23116016       5.96229076      -3.06021595               0
 C    2.02529621       3.49991989      -3.08192515               0
 C    2.15128589       4.72695446      -3.79336333               0
 C    1.70077276       2.29906583      -3.78701425               0
 C    1.50789905       2.33184195      -5.20530367               0
 C   0.682044506       3.88224125E-02  -5.15775442               0
 C    1.01903200       1.18028927      -5.86385250               0
 C    2.06467652       8.39630699      -3.01898694               0
 C    2.31665039       7.23218632      -3.70052624               0
 C    2.05663395       4.69941568      -5.21383476               0
 C    1.74374032       3.54958820      -5.89342308               0
 H    1.07440281       4.55301952       8.63169289               0
 H    1.90660691       2.54984283       7.48742008               0
 H    2.19798946      0.898000002       6.50562525               0
 H    2.17541909      -1.18001080       5.28520250               0
 H    1.86307168      -2.83604336       4.32459307               0
 H   0.888545513      -4.76599789       3.17142963               0
 H   0.420175552       6.58097506       7.33889484               0
 H   0.226045609      -4.62018442      0.770607829               0
 H   0.292594910       7.80205345       5.16869450               0
 H   0.225014210      -3.36334991      -1.37993407               0
 H   0.255791664       9.04238319       2.99774146               0
 H   0.245485306      -2.10339117      -3.52999830               0
 H   0.348796844       10.3075294      0.843183994               0
 H   0.296839714     -0.844047308      -5.67867565               0
 H    1.07732868       10.4454269      -1.52649212               0
 H    2.08709884       9.35827637      -3.54086328               0
 H    2.55035067       7.28449821      -4.76579714               0
 H    2.17575312       5.62512970      -5.77838898               0
 H    1.62216282       3.56610346      -6.98118496               0
 H   0.863088131       1.21554375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead: -0.266568154     out: b-111-All-Rlx|gnp-5.00-5.79-0.00.out                        
 C    1.20097232       7.45943642       7.54541874               0
 C    1.68211746       6.32886410       6.89554834               0
 C    2.18566132       3.83004332       5.41511583               0
 C    2.17742419       2.64173293       4.71705818               0
 C    1.60508919      0.145850182       3.26869488               0
 C    1.04915905     -0.944880962       2.62155533               0
 C   0.830622673       8.59551525       6.82715893               0
 C    1.01883936       8.64584827       5.42234373               0
 C    1.82114983       6.29941940       5.48938990               0
 C    1.55918598       7.48936462       4.74796915               0
 C    2.10271382       5.07530403       4.75720549               0
 C    2.14031887       5.08434200       3.33551526               0
 C    2.08897686       2.61105871       3.30924726               0
 C    2.13405514       3.84845972       2.60845566               0
 C    1.77768230       1.38324690       2.59994006               0
 C    1.50667739       1.45204735       1.20430911               0
 C   0.653875828     -0.861590385       1.27943373               0
 C   0.925872803      0.314170361      0.532352090               0
 C   0.609279633       9.78399372       4.64658785               0
 C   0.936099529       9.87831688       3.25698781               0
 C    1.75138521       7.52479076       3.32637429               0
 C    1.51945686       8.73070145       2.59598851               0
 C    2.05235100       6.32498693       2.62137914               0
 C    2.12317181       6.33491421       1.19908977               0
 C    2.03777337       3.86753607       1.17760742               0
 C    2.11537838       5.10312223      0.473644763               0
 C    1.71524382       2.67100096      0.475272119               0
 C    1.47486401       2.72254539     -0.931961000               0
 C   0.547821999      0.427036762     -0.848788440               0
 C   0.891448975       1.58421659      -1.60789299               0
 C   0.601917744       11.0295715       2.48460293               0
 C   0.975196838       11.1252975       1.10585093               0
 C    1.74800849       8.77065086       1.19361091               0
 C    1.54686093       9.98280144      0.457604825               0
 C    2.04857564       7.56829739      0.490648031               0
 C    2.12113953       7.58213615     -0.934728682               0
 C    2.02189708       5.12384272     -0.948390901               0
 C    2.10270071       6.36206341      -1.65479970               0
 C    1.69836926       3.92734146      -1.65446591               0
 C    1.47208858       3.98337197      -3.06887269               0
 C   0.563835621       1.68609285      -2.99380970               0
 C   0.916141033       2.84893703      -3.74758983               0
 C   0.773769855       12.3206463      0.343163699               0
 C    1.19687700       12.3983774     -0.972277462               0
 C    1.82627439       10.0302944     -0.934722841               0
 C    1.71715760       11.2666607      -1.64261556               0
 C    2.10140562       8.82197380      -1.64435029               0
 C    2.23116016       8.85229111      -3.06021595               0
 C    2.02529621       6.38991976      -3.08192515               0
 C    2.15128589       7.61695433      -3.79336333               0
 C    1.70077276       5.18906546      -3.78701425               0
 C    1.50789905       5.22184181      -5.20530367               0
 C   0.682044506       2.92882228      -5.15775442               0
 C    1.01903200       4.07028913      -5.86385250               0
 C    2.06467652       11.2863064      -3.01898694               0
 C    2.31665039       10.1221867      -3.70052624               0
 C    2.05663395       7.58941555      -5.21383476               0
 C    1.74374032       6.43958807      -5.89342308               0
 H    1.07440281       7.44301939       8.63169289               0
 H    1.90660691       5.43984270       7.48742008               0
 H    2.19798946       3.78799987       6.50562525               0
 H    2.17541909       1.70998907       5.28520250               0
 H    1.86307168       5.39565086E-02   4.32459307               0
 H   0.888545513      -1.87599802       3.17142963               0
 H   0.420175552       9.47097492       7.33889484               0
 H   0.226045609      -1.73018456      0.770607829               0
 H   0.292594910       10.6920528       5.16869450               0
 H   0.225014210     -0.473350048      -1.37993407               0
 H   0.255791664       11.9323826       2.99774146               0
 H   0.245485306      0.786608696      -3.52999830               0
 H   0.348796844       13.1975288      0.843183994               0
 H   0.296839714       2.04595256      -5.67867565               0
 H    1.07732868       13.3354263      -1.52649212               0
 H    2.08709884       12.2482758      -3.54086328               0
 H    2.55035067       10.1744976      -4.76579714               0
 H    2.17575312       8.51512909      -5.77838898               0
 H    1.62216282       6.45610332      -6.98118496               0
 H   0.863088131       4.10554361      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:   0.00000000     out: b-111-All-Rlx|gnp-6.00-0.00-0.00.out                        
 C    2.20097232       1.66943645       7.54541874               0
 C    2.68211746      0.538864374       6.89554834               0
 C    3.18566132      -1.95995665       5.41511583               0
 C    3.17742419      -3.14826703       4.71705818               0
 C    2.60508919      -5.64414978       3.26869488               0
 C    2.04915905      -6.73488092       2.62155533               0
 C    1.83062267       2.80551529       6.82715893               0
 C    2.01883936       2.85584807       5.42234373               0
 C    2.82114983      0.509419680       5.48938990               0
 C    2.55918598       1.69936466       4.74796915               0
 C    3.10271382     -0.714695692       4.75720549               0
 C    3.14031887     -0.705657840       3.33551526               0
 C    3.08897686      -3.17894125       3.30924726               0
 C    3.13405514      -1.94154024       2.60845566               0
 C    2.77768230      -4.40675306       2.59994006               0
 C    2.50667739      -4.33795261       1.20430911               0
 C    1.65387583      -6.65159035       1.27943373               0
 C    1.92587280      -5.47582960      0.532352090               0
 C    1.60927963       3.99399352       4.64658785               0
 C    1.93609953       4.08831644       3.25698781               0
 C    2.75138521       1.73479080       3.32637429               0
 C    2.51945686       2.94070196       2.59598851               0
 C    3.05235100      0.534987152       2.62137914               0
 C    3.12317181      0.544914126       1.19908977               0
 C    3.03777337      -1.92246389       1.17760742               0
 C    3.11537838     -0.686877906      0.473644763               0
 C    2.71524382      -3.11899900      0.475272119               0
 C    2.47486401      -3.06745458     -0.931961000               0
 C    1.54782200      -5.36296320     -0.848788440               0
 C    1.89144897      -4.20578337      -1.60789299               0
 C    1.60191774       5.23957205       2.48460293               0
 C    1.97519684       5.33529711       1.10585093               0
 C    2.74800849       2.98065114       1.19361091               0
 C    2.54686093       4.19280100      0.457604825               0
 C    3.04857564       1.77829719      0.490648031               0
 C    3.12113953       1.79213595     -0.934728682               0
 C    3.02189708     -0.666157305     -0.948390901               0
 C    3.10270071      0.572063267      -1.65479970               0
 C    2.69836926      -1.86265850      -1.65446591               0
 C    2.47208858      -1.80662799      -3.06887269               0
 C    1.56383562      -4.10390711      -2.99380970               0
 C    1.91614103      -2.94106293      -3.74758983               0
 C    1.77376986       6.53064680      0.343163699               0
 C    2.19687700       6.60837746     -0.972277462               0
 C    2.82627439       4.24029398     -0.934722841               0
 C    2.71715760       5.47666121      -1.64261556               0
 C    3.10140562       3.03197408      -1.64435029               0
 C    3.23116016       3.06229091      -3.06021595               0
 C    3.02529621      0.599919736      -3.08192515               0
 C    3.15128589       1.82695436      -3.79336333               0
 C    2.70077276     -0.600934327      -3.78701425               0
 C    2.50789905     -0.568158269      -5.20530367               0
 C    1.68204451      -2.86117768      -5.15775442               0
 C    2.01903200      -1.71971083      -5.86385250               0
 C    3.06467652       5.49630642      -3.01898694               0
 C    3.31665039       4.33218622      -3.70052624               0
 C    3.05663395       1.79941559      -5.21383476               0
 C    2.74374032      0.649588227      -5.89342308               0
 H    2.07440281       1.65301943       8.63169289               0
 H    2.90660691     -0.350157380       7.48742008               0
 H    3.19798946      -2.00200009       6.50562525               0
 H    3.17541909      -4.08001089       5.28520250               0
 H    2.86307168      -5.73604345       4.32459307               0
 H    1.88854551      -7.66599798       3.17142963               0
 H    1.42017555       3.68097496       7.33889484               0
 H    1.22604561      -7.52018452      0.770607829               0
 H    1.29259491       4.90205336       5.16869450               0
 H    1.22501421      -6.26335001      -1.37993407               0
 H    1.25579166       6.14238310       2.99774146               0
 H    1.24548531      -5.00339127      -3.52999830               0
 H    1.34879684       7.40752935      0.843183994               0
 H    1.29683971      -3.74404740      -5.67867565               0
 H    2.07732868       7.54542685      -1.52649212               0
 H    3.08709884       6.45827627      -3.54086328               0
 H    3.55035067       4.38449812      -4.76579714               0
 H    3.17575312       2.72512960      -5.77838898               0
 H    2.62216282      0.666103244      -6.98118496               0
 H    1.86308813      -1.68445635      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:   5.37343435E-02 out: b-111-All-Rlx|gnp-6.00-0.00-4.98.out                        
 C    2.20097232       1.66943645       12.5254192               0
 C    2.68211746      0.538864374       11.8755484               0
 C    3.18566132      -1.95995665       10.3951159               0
 C    3.17742419      -3.14826703       9.69705772               0
 C    2.60508919      -5.64414978       8.24869537               0
 C    2.04915905      -6.73488092       7.60155535               0
 C    1.83062267       2.80551529       11.8071594               0
 C    2.01883936       2.85584807       10.4023438               0
 C    2.82114983      0.509419680       10.4693899               0
 C    2.55918598       1.69936466       9.72796917               0
 C    3.10271382     -0.714695692       9.73720551               0
 C    3.14031887     -0.705657840       8.31551552               0
 C    3.08897686      -3.17894125       8.28924751               0
 C    3.13405514      -1.94154024       7.58845568               0
 C    2.77768230      -4.40675306       7.57993984               0
 C    2.50667739      -4.33795261       6.18430901               0
 C    1.65387583      -6.65159035       6.25943375               0
 C    1.92587280      -5.47582960       5.51235199               0
 C    1.60927963       3.99399352       9.62658787               0
 C    1.93609953       4.08831644       8.23698807               0
 C    2.75138521       1.73479080       8.30637455               0
 C    2.51945686       2.94070196       7.57598877               0
 C    3.05235100      0.534987152       7.60137939               0
 C    3.12317181      0.544914126       6.17908955               0
 C    3.03777337      -1.92246389       6.15760756               0
 C    3.11537838     -0.686877906       5.45364475               0
 C    2.71524382      -3.11899900       5.45527220               0
 C    2.47486401      -3.06745458       4.04803896               0
 C    1.54782200      -5.36296320       4.13121176               0
 C    1.89144897      -4.20578337       3.37210703               0
 C    1.60191774       5.23957205       7.46460295               0
 C    1.97519684       5.33529711       6.08585072               0
 C    2.74800849       2.98065114       6.17361069               0
 C    2.54686093       4.19280100       5.43760490               0
 C    3.04857564       1.77829719       5.47064781               0
 C    3.12113953       1.79213595       4.04527140               0
 C    3.02189708     -0.666157305       4.03160906               0
 C    3.10270071      0.572063267       3.32520032               0
 C    2.69836926      -1.86265850       3.32553411               0
 C    2.47208858      -1.80662799       1.91112733               0
 C    1.56383562      -4.10390711       1.98619032               0
 C    1.91614103      -2.94106293       1.23241019               0
 C    1.77376986       6.53064680       5.32316351               0
 C    2.19687700       6.60837746       4.00772238               0
 C    2.82627439       4.24029398       4.04527712               0
 C    2.71715760       5.47666121       3.33738446               0
 C    3.10140562       3.03197408       3.33564973               0
 C    3.23116016       3.06229091       1.91978407               0
 C    3.02529621      0.599919736       1.89807487               0
 C    3.15128589       1.82695436       1.18663669               0
 C    2.70077276     -0.600934327       1.19298577               0
 C    2.50789905     -0.568158269     -0.225303650               0
 C    1.68204451      -2.86117768     -0.177754402               0
 C    2.01903200      -1.71971083     -0.883852482               0
 C    3.06467652       5.49630642       1.96101308               0
 C    3.31665039       4.33218622       1.27947378               0
 C    3.05663395       1.79941559     -0.233834743               0
 C    2.74374032      0.649588227     -0.913423061               0
 H    2.07440281       1.65301943       13.6116924               0
 H    2.90660691     -0.350157380       12.4674206               0
 H    3.19798946      -2.00200009       11.4856253               0
 H    3.17541909      -4.08001089       10.2652025               0
 H    2.86307168      -5.73604345       9.30459309               0
 H    1.88854551      -7.66599798       8.15143013               0
 H    1.42017555       3.68097496       12.3188953               0
 H    1.22604561      -7.52018452       5.75060797               0
 H    1.29259491       4.90205336       10.1486950               0
 H    1.22501421      -6.26335001       3.60006595               0
 H    1.25579166       6.14238310       7.97774124               0
 H    1.24548531      -5.00339127       1.45000172               0
 H    1.34879684       7.40752935       5.82318401               0
 H    1.29683971      -3.74404740     -0.698675632               0
 H    2.07732868       7.54542685       3.45350790               0
 H    3.08709884       6.45827627       1.43913674               0
 H    3.55035067       4.38449812      0.214202881               0
 H    3.17575312       2.72512960     -0.798388958               0
 H    2.62216282      0.666103244      -2.00118494               0
 H    1.86308813      -1.68445635      -1.96703482               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:   5.56731503E-03 out: b-111-All-Rlx|gnp-6.00--0.62-1.08.out                       
 C    2.20097232       1.04943645       8.62541866               0
 C    2.68211746      -8.11356306E-02   7.97554827               0
 C    3.18566132      -2.57995653       6.49511576               0
 C    3.17742419      -3.76826715       5.79705811               0
 C    2.60508919      -6.26414967       4.34869480               0
 C    2.04915905      -7.35488081       3.70155525               0
 C    1.83062267       2.18551540       7.90715885               0
 C    2.01883936       2.23584795       6.50234365               0
 C    2.82114983     -0.110580325       6.56938982               0
 C    2.55918598       1.07936466       5.82796907               0
 C    3.10271382      -1.33469570       5.83720541               0
 C    3.14031887      -1.32565784       4.41551542               0
 C    3.08897686      -3.79894114       4.38924742               0
 C    3.13405514      -2.56154013       3.68845558               0
 C    2.77768230      -5.02675295       3.67994022               0
 C    2.50667739      -4.95795250       2.28430915               0
 C    1.65387583      -7.27159023       2.35943365               0
 C    1.92587280      -6.09582949       1.61235213               0
 C    1.60927963       3.37399340       5.72658777               0
 C    1.93609953       3.46831656       4.33698797               0
 C    2.75138521       1.11479080       4.40637445               0
 C    2.51945686       2.32070208       3.67598867               0
 C    3.05235100      -8.50128531E-02   3.70137930               0
 C    3.12317181      -7.50858784E-02   2.27908993               0
 C    3.03777337      -2.54246378       2.25760746               0
 C    3.11537838      -1.30687785       1.55364478               0
 C    2.71524382      -3.73899889       1.55527210               0
 C    2.47486401      -3.68745470      0.148039043               0
 C    1.54782200      -5.98296309      0.231211603               0
 C    1.89144897      -4.82578325     -0.527892947               0
 C    1.60191774       4.61957216       3.56460285               0
 C    1.97519684       4.71529722       2.18585110               0
 C    2.74800849       2.36065102       2.27361107               0
 C    2.54686093       3.57280111       1.53760481               0
 C    3.04857564       1.15829718       1.57064807               0
 C    3.12113953       1.17213595      0.145271361               0
 C    3.02189708      -1.28615737      0.131609142               0
 C    3.10270071      -4.79367375E-02 -0.574799657               0
 C    2.69836926      -2.48265839     -0.574465871               0
 C    2.47208858      -2.42662811      -1.98887265               0
 C    1.56383562      -4.72390699      -1.91380966               0
 C    1.91614103      -3.56106281      -2.66758966               0
 C    1.77376986       5.91064692       1.42316377               0
 C    2.19687700       5.98837757      0.107722580               0
 C    2.82627439       3.62029409      0.145277202               0
 C    2.71715760       4.85666132     -0.562615514               0
 C    3.10140562       2.41197395     -0.564350247               0
 C    3.23116016       2.44229078      -1.98021591               0
 C    3.02529621      -2.00802684E-02  -2.00192499               0
 C    3.15128589       1.20695436      -2.71336317               0
 C    2.70077276      -1.22093439      -2.70701408               0
 C    2.50789905      -1.18815827      -4.12530375               0
 C    1.68204451      -3.48117781      -4.07775450               0
 C    2.01903200      -2.33971071      -4.78385258               0
 C    3.06467652       4.87630653      -1.93898690               0
 C    3.31665039       3.71218634      -2.62052631               0
 C    3.05663395       1.17941558      -4.13383484               0
 C    2.74374032       2.95882225E-02  -4.81342316               0
 H    2.07440281       1.03301942       9.71169281               0
 H    2.90660691     -0.970157385       8.56742001               0
 H    3.19798946      -2.62200022       7.58562517               0
 H    3.17541909      -4.70001078       6.36520243               0
 H    2.86307168      -6.35604334       5.40459299               0
 H    1.88854551      -8.28599834       4.25142956               0
 H    1.42017555       3.06097507       8.41889477               0
 H    1.22604561      -8.14018440       1.85060787               0
 H    1.29259491       4.28205347       6.24869442               0
 H    1.22501421      -6.88334990     -0.299934030               0
 H    1.25579166       5.52238321       4.07774162               0
 H    1.24548531      -5.62339115      -2.44999838               0
 H    1.34879684       6.78752947       1.92318404               0
 H    1.29683971      -4.36404753      -4.59867573               0
 H    2.07732868       6.92542696     -0.446492076               0
 H    3.08709884       5.83827639      -2.46086311               0
 H    3.55035067       3.76449823      -3.68579721               0
 H    3.17575312       2.10512972      -4.69838905               0
 H    2.62216282       4.61032391E-02  -5.90118504               0
 H    1.86308813      -2.30445623      -5.86703491               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:   7.19740987E-04 out: b-111-All-Rlx|gnp-6.00-0.84-0.00.out                        
 C    2.20097232       2.50943637       7.54541874               0
 C    2.68211746       1.37886429       6.89554834               0
 C    3.18566132      -1.11995673       5.41511583               0
 C    3.17742419      -2.30826712       4.71705818               0
 C    2.60508919      -4.80414963       3.26869488               0
 C    2.04915905      -5.89488077       2.62155533               0
 C    1.83062267       3.64551520       6.82715893               0
 C    2.01883936       3.69584799       5.42234373               0
 C    2.82114983       1.34941959       5.48938990               0
 C    2.55918598       2.53936458       4.74796915               0
 C    3.10271382      0.125304282       4.75720549               0
 C    3.14031887      0.134342134       3.33551526               0
 C    3.08897686      -2.33894134       3.30924726               0
 C    3.13405514      -1.10154033       2.60845566               0
 C    2.77768230      -3.56675315       2.59994006               0
 C    2.50667739      -3.49795270       1.20430911               0
 C    1.65387583      -5.81159019       1.27943373               0
 C    1.92587280      -4.63582945      0.532352090               0
 C    1.60927963       4.83399343       4.64658785               0
 C    1.93609953       4.92831659       3.25698781               0
 C    2.75138521       2.57479072       3.32637429               0
 C    2.51945686       3.78070188       2.59598851               0
 C    3.05235100       1.37498713       2.62137914               0
 C    3.12317181       1.38491416       1.19908977               0
 C    3.03777337      -1.08246398       1.17760742               0
 C    3.11537838      0.153122067      0.473644763               0
 C    2.71524382      -2.27899909      0.475272119               0
 C    2.47486401      -2.22745466     -0.931961000               0
 C    1.54782200      -4.52296305     -0.848788440               0
 C    1.89144897      -3.36578345      -1.60789299               0
 C    1.60191774       6.07957220       2.48460293               0
 C    1.97519684       6.17529726       1.10585093               0
 C    2.74800849       3.82065105       1.19361091               0
 C    2.54686093       5.03280115      0.457604825               0
 C    3.04857564       2.61829710      0.490648031               0
 C    3.12113953       2.63213587     -0.934728682               0
 C    3.02189708      0.173842669     -0.948390901               0
 C    3.10270071       1.41206324      -1.65479970               0
 C    2.69836926      -1.02265859      -1.65446591               0
 C    2.47208858     -0.966628015      -3.06887269               0
 C    1.56383562      -3.26390719      -2.99380970               0
 C    1.91614103      -2.10106301      -3.74758983               0
 C    1.77376986       7.37064695      0.343163699               0
 C    2.19687700       7.44837761     -0.972277462               0
 C    2.82627439       5.08029413     -0.934722841               0
 C    2.71715760       6.31666136      -1.64261556               0
 C    3.10140562       3.87197399      -1.64435029               0
 C    3.23116016       3.90229082      -3.06021595               0
 C    3.02529621       1.43991971      -3.08192515               0
 C    3.15128589       2.66695428      -3.79336333               0
 C    2.70077276      0.239065647      -3.78701425               0
 C    2.50789905      0.271841705      -5.20530367               0
 C    1.68204451      -2.02117777      -5.15775442               0
 C    2.01903200     -0.879710853      -5.86385250               0
 C    3.06467652       6.33630657      -3.01898694               0
 C    3.31665039       5.17218637      -3.70052624               0
 C    3.05663395       2.63941550      -5.21383476               0
 C    2.74374032       1.48958826      -5.89342308               0
 H    2.07440281       2.49301934       8.63169289               0
 H    2.90660691      0.489842594       7.48742008               0
 H    3.19798946      -1.16200018       6.50562525               0
 H    3.17541909      -3.24001098       5.28520250               0
 H    2.86307168      -4.89604330       4.32459307               0
 H    1.88854551      -6.82599783       3.17142963               0
 H    1.42017555       4.52097511       7.33889484               0
 H    1.22604561      -6.68018436      0.770607829               0
 H    1.29259491       5.74205351       5.16869450               0
 H    1.22501421      -5.42334986      -1.37993407               0
 H    1.25579166       6.98238325       2.99774146               0
 H    1.24548531      -4.16339111      -3.52999830               0
 H    1.34879684       8.24752903      0.843183994               0
 H    1.29683971      -2.90404749      -5.67867565               0
 H    2.07732868       8.38542652      -1.52649212               0
 H    3.08709884       7.29827642      -3.54086328               0
 H    3.55035067       5.22449827      -4.76579714               0
 H    3.17575312       3.56512952      -5.77838898               0
 H    2.62216282       1.50610328      -6.98118496               0
 H    1.86308813     -0.844456375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:   1.16132786E-02 out: b-111-All-Rlx|gnp-6.00-2.90-0.00.out                        
 C    2.20097232       4.56943655       7.54541874               0
 C    2.68211746       3.43886447       6.89554834               0
 C    3.18566132      0.940043449       5.41511583               0
 C    3.17742419     -0.248266935       4.71705818               0
 C    2.60508919      -2.74414968       3.26869488               0
 C    2.04915905      -3.83488083       2.62155533               0
 C    1.83062267       5.70551538       6.82715893               0
 C    2.01883936       5.75584793       5.42234373               0
 C    2.82114983       3.40941978       5.48938990               0
 C    2.55918598       4.59936476       4.74796915               0
 C    3.10271382       2.18530440       4.75720549               0
 C    3.14031887       2.19434214       3.33551526               0
 C    3.08897686     -0.278941154       3.30924726               0
 C    3.13405514      0.958459854       2.60845566               0
 C    2.77768230      -1.50675297       2.59994006               0
 C    2.50667739      -1.43795252       1.20430911               0
 C    1.65387583      -3.75159025       1.27943373               0
 C    1.92587280      -2.57582951      0.532352090               0
 C    1.60927963       6.89399338       4.64658785               0
 C    1.93609953       6.98831654       3.25698781               0
 C    2.75138521       4.63479090       3.32637429               0
 C    2.51945686       5.84070206       2.59598851               0
 C    3.05235100       3.43498731       2.62137914               0
 C    3.12317181       3.44491434       1.19908977               0
 C    3.03777337      0.977536201       1.17760742               0
 C    3.11537838       2.21312213      0.473644763               0
 C    2.71524382     -0.218998909      0.475272119               0
 C    2.47486401     -0.167454481     -0.931961000               0
 C    1.54782200      -2.46296310     -0.848788440               0
 C    1.89144897      -1.30578327      -1.60789299               0
 C    1.60191774       8.13957214       2.48460293               0
 C    1.97519684       8.23529720       1.10585093               0
 C    2.74800849       5.88065147       1.19361091               0
 C    2.54686093       7.09280109      0.457604825               0
 C    3.04857564       4.67829704      0.490648031               0
 C    3.12113953       4.69213581     -0.934728682               0
 C    3.02189708       2.23384285     -0.948390901               0
 C    3.10270071       3.47206330      -1.65479970               0
 C    2.69836926       1.03734159      -1.65446591               0
 C    2.47208858       1.09337211      -3.06887269               0
 C    1.56383562      -1.20390701      -2.99380970               0
 C    1.91614103      -4.10628319E-02  -3.74758983               0
 C    1.77376986       9.43064690      0.343163699               0
 C    2.19687700       9.50837708     -0.972277462               0
 C    2.82627439       7.14029408     -0.934722841               0
 C    2.71715760       8.37666130      -1.64261556               0
 C    3.10140562       5.93197441      -1.64435029               0
 C    3.23116016       5.96229076      -3.06021595               0
 C    3.02529621       3.49991989      -3.08192515               0
 C    3.15128589       4.72695446      -3.79336333               0
 C    2.70077276       2.29906583      -3.78701425               0
 C    2.50789905       2.33184195      -5.20530367               0
 C    1.68204451       3.88224125E-02  -5.15775442               0
 C    2.01903200       1.18028927      -5.86385250               0
 C    3.06467652       8.39630699      -3.01898694               0
 C    3.31665039       7.23218632      -3.70052624               0
 C    3.05663395       4.69941568      -5.21383476               0
 C    2.74374032       3.54958820      -5.89342308               0
 H    2.07440281       4.55301952       8.63169289               0
 H    2.90660691       2.54984283       7.48742008               0
 H    3.19798946      0.898000002       6.50562525               0
 H    3.17541909      -1.18001080       5.28520250               0
 H    2.86307168      -2.83604336       4.32459307               0
 H    1.88854551      -4.76599789       3.17142963               0
 H    1.42017555       6.58097506       7.33889484               0
 H    1.22604561      -4.62018442      0.770607829               0
 H    1.29259491       7.80205345       5.16869450               0
 H    1.22501421      -3.36334991      -1.37993407               0
 H    1.25579166       9.04238319       2.99774146               0
 H    1.24548531      -2.10339117      -3.52999830               0
 H    1.34879684       10.3075294      0.843183994               0
 H    1.29683971     -0.844047308      -5.67867565               0
 H    2.07732868       10.4454269      -1.52649212               0
 H    3.08709884       9.35827637      -3.54086328               0
 H    3.55035067       7.28449821      -4.76579714               0
 H    3.17575312       5.62512970      -5.77838898               0
 H    2.62216282       3.56610346      -6.98118496               0
 H    1.86308813       1.21554375      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
         160
 Ead:   3.41860838E-02 out: b-111-All-Rlx|gnp-6.00-5.79-0.00.out                        
 C    2.20097232       7.45943642       7.54541874               0
 C    2.68211746       6.32886410       6.89554834               0
 C    3.18566132       3.83004332       5.41511583               0
 C    3.17742419       2.64173293       4.71705818               0
 C    2.60508919      0.145850182       3.26869488               0
 C    2.04915905     -0.944880962       2.62155533               0
 C    1.83062267       8.59551525       6.82715893               0
 C    2.01883936       8.64584827       5.42234373               0
 C    2.82114983       6.29941940       5.48938990               0
 C    2.55918598       7.48936462       4.74796915               0
 C    3.10271382       5.07530403       4.75720549               0
 C    3.14031887       5.08434200       3.33551526               0
 C    3.08897686       2.61105871       3.30924726               0
 C    3.13405514       3.84845972       2.60845566               0
 C    2.77768230       1.38324690       2.59994006               0
 C    2.50667739       1.45204735       1.20430911               0
 C    1.65387583     -0.861590385       1.27943373               0
 C    1.92587280      0.314170361      0.532352090               0
 C    1.60927963       9.78399372       4.64658785               0
 C    1.93609953       9.87831688       3.25698781               0
 C    2.75138521       7.52479076       3.32637429               0
 C    2.51945686       8.73070145       2.59598851               0
 C    3.05235100       6.32498693       2.62137914               0
 C    3.12317181       6.33491421       1.19908977               0
 C    3.03777337       3.86753607       1.17760742               0
 C    3.11537838       5.10312223      0.473644763               0
 C    2.71524382       2.67100096      0.475272119               0
 C    2.47486401       2.72254539     -0.931961000               0
 C    1.54782200      0.427036762     -0.848788440               0
 C    1.89144897       1.58421659      -1.60789299               0
 C    1.60191774       11.0295715       2.48460293               0
 C    1.97519684       11.1252975       1.10585093               0
 C    2.74800849       8.77065086       1.19361091               0
 C    2.54686093       9.98280144      0.457604825               0
 C    3.04857564       7.56829739      0.490648031               0
 C    3.12113953       7.58213615     -0.934728682               0
 C    3.02189708       5.12384272     -0.948390901               0
 C    3.10270071       6.36206341      -1.65479970               0
 C    2.69836926       3.92734146      -1.65446591               0
 C    2.47208858       3.98337197      -3.06887269               0
 C    1.56383562       1.68609285      -2.99380970               0
 C    1.91614103       2.84893703      -3.74758983               0
 C    1.77376986       12.3206463      0.343163699               0
 C    2.19687700       12.3983774     -0.972277462               0
 C    2.82627439       10.0302944     -0.934722841               0
 C    2.71715760       11.2666607      -1.64261556               0
 C    3.10140562       8.82197380      -1.64435029               0
 C    3.23116016       8.85229111      -3.06021595               0
 C    3.02529621       6.38991976      -3.08192515               0
 C    3.15128589       7.61695433      -3.79336333               0
 C    2.70077276       5.18906546      -3.78701425               0
 C    2.50789905       5.22184181      -5.20530367               0
 C    1.68204451       2.92882228      -5.15775442               0
 C    2.01903200       4.07028913      -5.86385250               0
 C    3.06467652       11.2863064      -3.01898694               0
 C    3.31665039       10.1221867      -3.70052624               0
 C    3.05663395       7.58941555      -5.21383476               0
 C    2.74374032       6.43958807      -5.89342308               0
 H    2.07440281       7.44301939       8.63169289               0
 H    2.90660691       5.43984270       7.48742008               0
 H    3.19798946       3.78799987       6.50562525               0
 H    3.17541909       1.70998907       5.28520250               0
 H    2.86307168       5.39565086E-02   4.32459307               0
 H    1.88854551      -1.87599802       3.17142963               0
 H    1.42017555       9.47097492       7.33889484               0
 H    1.22604561      -1.73018456      0.770607829               0
 H    1.29259491       10.6920528       5.16869450               0
 H    1.22501421     -0.473350048      -1.37993407               0
 H    1.25579166       11.9323826       2.99774146               0
 H    1.24548531      0.786608696      -3.52999830               0
 H    1.34879684       13.1975288      0.843183994               0
 H    1.29683971       2.04595256      -5.67867565               0
 H    2.07732868       13.3354263      -1.52649212               0
 H    3.08709884       12.2482758      -3.54086328               0
 H    3.55035067       10.1744976      -4.76579714               0
 H    3.17575312       8.51512909      -5.77838898               0
 H    2.62216282       6.45610332      -6.98118496               0
 H    1.86308813       4.10554361      -6.94703484               0
 Cu  -7.90007114       4.95063210      -5.15884733               4
 Cu  -7.89527607       2.51491189      -5.17302608               6
 Cu  -7.88361359       4.99747396E-02  -5.15288591               6
 Cu  -7.87123108      -2.41392112      -5.12118673               6
 Cu  -7.80636597      -4.86316824      -5.02787304               4
 Cu  -7.89214802       6.21598577      -3.08988261               5
 Cu  -7.93099976       3.78375387      -3.05708480               9
 Cu  -7.91796684       1.31434822      -3.02911735               9
 Cu  -7.90382147      -1.15138865      -3.00602508               9
 Cu  -7.91088867      -3.62609935      -2.96530485               9
 Cu  -7.83712196      -6.06519032      -2.92345977               5
 Cu  -7.75801229       7.44137144     -0.996618271               4
 Cu  -7.88891172       5.04368067     -0.946988523               9
 Cu  -7.83720207       2.57918382     -0.907260954               9
 Cu  -7.82182932      0.114505209     -0.888575375               9
 Cu  -7.78115606      -3.56374907       1.30367064               9
 Cu  -7.81661510      -2.35463119     -0.848834097               9
 Cu  -7.84734869      -4.82556772     -0.823901176               9
 Cu  -7.69674253      -7.22624826     -0.801238120               4
 Cu  -7.72854710       6.29714918       1.17462838               6
 Cu  -7.82926369       3.84209490       1.21494603               9
 Cu  -7.76652622       1.38059270       1.24886358               9
 Cu  -7.75629997      -1.09807050       1.28146684               9
 Cu  -7.68432617      -6.02270460       1.33075237               6
 Cu  -7.66411734       5.09774923       3.33463788               6
 Cu  -7.76413250       2.63556314       3.37294245               9
 Cu  -7.71137667      0.172495589       3.39837742               9
 Cu  -7.72536707      -2.29432344       3.42381978               9
 Cu  -7.63270521      -4.75923443       3.44654202               6
 Cu  -7.59316587       3.88989758       5.48896980               6
 Cu  -7.69871426       1.42905903       5.52881193               9
 Cu  -7.67508841      -1.02702045       5.54906034               9
 Cu  -7.57777977      -3.48740602       5.56699753               6
 Cu  -7.52706480       2.65648413       7.59753799               4
 Cu  -7.57281828      0.228592992       7.64120054               5
 Cu  -7.50694418      -2.19453454       7.64046049               4
 Cu  -5.84814978       3.80455518      -4.56481266               7
 Cu  -5.83734989       1.31736255      -4.63005781               9
 Cu  -5.82656002      -1.17951643      -4.59630489               9
 Cu  -5.81575012      -3.64738154      -4.47948742               7
 Cu  -5.79393005       5.11950684      -2.46388483               8
 Cu  -5.78313017       2.60061455      -2.41113353              12
 Cu  -5.77233982      0.105850145      -2.39135790              12
 Cu  -5.76153994      -2.40661955      -2.35915065              12
 Cu  -5.75073004      -4.93036795      -2.35368037               8
 Cu  -5.73971987       6.33536100     -0.302175522               7
 Cu  -5.72891998       3.89063644     -0.260723233              12
 Cu  -5.71812010       1.37760317     -0.242093608              12
 Cu  -5.70732021      -1.12043023     -0.212431937              12
 Cu  -5.69651985      -3.63097525     -0.191144377              12
 Cu  -5.68572998      -6.09270668     -0.153038487               7
 Cu  -5.67468977       5.20452166       1.91009569               9
 Cu  -5.66389990       2.67762160       1.92351723              12
 Cu  -5.65310001      0.156047493       1.93653953              12
 Cu  -5.64230013      -2.34492278       1.96461403              12
 Cu  -5.63149977      -4.89722109       2.02067327               9
 Cu  -5.60969019       3.98358345       4.09433222               9
 Cu  -5.59888983       1.44941425       4.10102654              12
 Cu  -5.58809996      -1.05767143       4.10640669              12
 Cu  -5.57730007      -3.61910748       4.16804790               9
 Cu  -5.54466009       2.67961121       6.23030901               7
 Cu  -5.53386021      0.203656897       6.29051924               8
 Cu  -5.52306986      -2.26960516       6.25658417               7
 Cu  -3.83226228       2.56437445      -3.86744571               6
 Cu  -3.82701087       9.69832540E-02  -3.86479545               7
 Cu  -3.76127672      -2.42183614      -3.85329390               6
 Cu  -3.77136159       3.87267756      -1.76777649               7
 Cu  -3.65174580       1.36784899      -1.72530770               9
 Cu  -3.71096539      -1.10749555      -1.68151093               9
 Cu  -3.70529699      -3.69433880      -1.69521499               7
 Cu  -3.67490411       5.15048981      0.400353104               6
 Cu  -3.66778970       2.61829853      0.400254130               9
 Cu  -3.60702825      0.151884004      0.438710123               9
 Cu  -3.65039539      -2.32351995      0.471223205               9
 Cu  -3.65435338      -4.90228128      0.504267573               6
 Cu  -3.63780689       3.96103764       2.60165620               7
 Cu  -3.61244750       1.39802265       2.57184029               9
 Cu  -3.53899193      -1.06349814       2.59554315               9
 Cu  -3.63733697      -3.55787563       2.64078522               7
 Cu  -3.57134414       2.72880816       4.77471209               6
 Cu  -3.58345151      0.190794304       4.77611923               7
 Cu  -3.57396603      -2.27970266       4.74710512               6
          94
 Ead: -0.515606701     out: c-100-Gph-Perp|G_0.00_0.00_-0.10.out                        
 H    2.36625218     -0.533391654       3.94886827               0
 C    1.80405855     -0.492984384       4.89010000               0
 H   -6.95883632E-02 -0.442161053       3.85071492               0
 C   0.404699475     -0.440759510       4.83909321               0
 H   -2.04701853     -0.392095506       3.80881715               0
 C   -2.56193995     -0.369386137       4.77616119               0
 H   -4.48719263     -0.372375816       3.80329537               0
 C   -3.96299219     -0.358205497       4.76798964               0
 H    3.56184030     -0.543769956       6.14349365               0
 C    2.46813488     -0.497712106       6.10311508               0
 C    1.73565853     -0.454279870       7.31581783               0
 C  -0.371067852     -0.393806010       6.00204468               0
 C   0.299740583     -0.401671290       7.26656389               0
 C   -1.83498013     -0.358869702       5.97125721               0
 C   -2.56002498     -0.335399568       7.20506382               0
 C   -4.67883539     -0.333480537       5.94996738               0
 C   -3.99771547     -0.322875917       7.19284821               0
 H   -5.77436495     -0.331992805       5.94368315               0
 H    3.47787905     -0.524522066       8.59622383               0
 C    2.38414526     -0.468754202       8.57122612               0
 C    1.67610312     -0.436011136       9.76699543               0
 C  -0.438315421     -0.360548079       8.48383522               0
 C   0.238675207     -0.374962330       9.72928524               0
 C   -1.87418652     -0.327654868       8.45316982               0
 C   -2.60406017     -0.308580041       9.66835785               0
 C   -4.69968033     -0.306638896       8.41882038               0
 C   -4.04289007     -0.301832587       9.64389610               0
 H   -5.79500151     -0.313961923       8.39663410               0
 H    3.42448068     -0.525476336       11.0681553               0
 C    2.33072996     -0.469134182       11.0447092               0
 C    1.61764205     -0.436717689       12.2071381               0
 C  -0.497103274     -0.346917629       10.9492092               0
 C   0.185570627     -0.374371797       12.2013245               0
 C   -1.92065692     -0.312984943       10.9186630               0
 C   -2.65713143     -0.304132611       12.1402893               0
 C   -4.75252199     -0.298380941       10.8920298               0
 C   -4.08941031     -0.295592725       12.0841579               0
 H   -5.84761000     -0.301523298       10.8673897               0
 H    2.13158655     -0.467427284       13.1733704               0
 C  -0.569535732     -0.352474779       13.3919468               0
 H   -4.36437018E-02 -0.373296499       14.3520985               0
 C   -1.95398569     -0.317517847       13.3622293               0
 H   -2.52203417     -0.310484171       14.2984581               0
 H   -4.64600182     -0.295406610       13.0269670               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.499566942     out: c-100-Gph-Perp|G_0.00_0.00_-0.30.out                        
 H    2.36625218     -0.533391654       3.74886823               0
 C    1.80405855     -0.492984384       4.69009972               0
 H   -6.95883632E-02 -0.442161053       3.65071487               0
 C   0.404699475     -0.440759510       4.63909292               0
 H   -2.04701853     -0.392095506       3.60881710               0
 C   -2.56193995     -0.369386137       4.57616091               0
 H   -4.48719263     -0.372375816       3.60329533               0
 C   -3.96299219     -0.358205497       4.56798935               0
 H    3.56184030     -0.543769956       5.94349337               0
 C    2.46813488     -0.497712106       5.90311480               0
 C    1.73565853     -0.454279870       7.11581755               0
 C  -0.371067852     -0.393806010       5.80204439               0
 C   0.299740583     -0.401671290       7.06656361               0
 C   -1.83498013     -0.358869702       5.77125692               0
 C   -2.56002498     -0.335399568       7.00506353               0
 C   -4.67883539     -0.333480537       5.74996710               0
 C   -3.99771547     -0.322875917       6.99284792               0
 H   -5.77436495     -0.331992805       5.74368286               0
 H    3.47787905     -0.524522066       8.39622402               0
 C    2.38414526     -0.468754202       8.37122631               0
 C    1.67610312     -0.436011136       9.56699562               0
 C  -0.438315421     -0.360548079       8.28383541               0
 C   0.238675207     -0.374962330       9.52928543               0
 C   -1.87418652     -0.327654868       8.25317001               0
 C   -2.60406017     -0.308580041       9.46835804               0
 C   -4.69968033     -0.306638896       8.21882057               0
 C   -4.04289007     -0.301832587       9.44389629               0
 H   -5.79500151     -0.313961923       8.19663429               0
 H    3.42448068     -0.525476336       10.8681555               0
 C    2.33072996     -0.469134182       10.8447094               0
 C    1.61764205     -0.436717689       12.0071383               0
 C  -0.497103274     -0.346917629       10.7492094               0
 C   0.185570627     -0.374371797       12.0013247               0
 C   -1.92065692     -0.312984943       10.7186632               0
 C   -2.65713143     -0.304132611       11.9402895               0
 C   -4.75252199     -0.298380941       10.6920300               0
 C   -4.08941031     -0.295592725       11.8841581               0
 H   -5.84761000     -0.301523298       10.6673899               0
 H    2.13158655     -0.467427284       12.9733706               0
 C  -0.569535732     -0.352474779       13.1919470               0
 H   -4.36437018E-02 -0.373296499       14.1520987               0
 C   -1.95398569     -0.317517847       13.1622295               0
 H   -2.52203417     -0.310484171       14.0984583               0
 H   -4.64600182     -0.295406610       12.8269672               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.434427887     out: c-100-Gph-Perp|G_0.00_0.00_0.30.out                         
 H    2.36625218     -0.533391654       4.34886837               0
 C    1.80405855     -0.492984384       5.29010010               0
 H   -6.95883632E-02 -0.442161053       4.25071478               0
 C   0.404699475     -0.440759510       5.23909330               0
 H   -2.04701853     -0.392095506       4.20881701               0
 C   -2.56193995     -0.369386137       5.17616129               0
 H   -4.48719263     -0.372375816       4.20329523               0
 C   -3.96299219     -0.358205497       5.16798973               0
 H    3.56184030     -0.543769956       6.54349375               0
 C    2.46813488     -0.497712106       6.50311518               0
 C    1.73565853     -0.454279870       7.71581793               0
 C  -0.371067852     -0.393806010       6.40204477               0
 C   0.299740583     -0.401671290       7.66656399               0
 C   -1.83498013     -0.358869702       6.37125731               0
 C   -2.56002498     -0.335399568       7.60506392               0
 C   -4.67883539     -0.333480537       6.34996748               0
 C   -3.99771547     -0.322875917       7.59284830               0
 H   -5.77436495     -0.331992805       6.34368324               0
 H    3.47787905     -0.524522066       8.99622440               0
 C    2.38414526     -0.468754202       8.97122669               0
 C    1.67610312     -0.436011136       10.1669960               0
 C  -0.438315421     -0.360548079       8.88383579               0
 C   0.238675207     -0.374962330       10.1292858               0
 C   -1.87418652     -0.327654868       8.85317039               0
 C   -2.60406017     -0.308580041       10.0683584               0
 C   -4.69968033     -0.306638896       8.81882095               0
 C   -4.04289007     -0.301832587       10.0438967               0
 H   -5.79500151     -0.313961923       8.79663467               0
 H    3.42448068     -0.525476336       11.4681559               0
 C    2.33072996     -0.469134182       11.4447098               0
 C    1.61764205     -0.436717689       12.6071386               0
 C  -0.497103274     -0.346917629       11.3492098               0
 C   0.185570627     -0.374371797       12.6013250               0
 C   -1.92065692     -0.312984943       11.3186636               0
 C   -2.65713143     -0.304132611       12.5402899               0
 C   -4.75252199     -0.298380941       11.2920303               0
 C   -4.08941031     -0.295592725       12.4841585               0
 H   -5.84761000     -0.301523298       11.2673903               0
 H    2.13158655     -0.467427284       13.5733709               0
 C  -0.569535732     -0.352474779       13.7919474               0
 H   -4.36437018E-02 -0.373296499       14.7520990               0
 C   -1.95398569     -0.317517847       13.7622299               0
 H   -2.52203417     -0.310484171       14.6984587               0
 H   -4.64600182     -0.295406610       13.4269676               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.352279544     out: c-100-Gph-Perp|G_0.00_0.00_0.60.out                         
 H    2.36625218     -0.533391654       4.64886808               0
 C    1.80405855     -0.492984384       5.59009981               0
 H   -6.95883632E-02 -0.442161053       4.55071497               0
 C   0.404699475     -0.440759510       5.53909302               0
 H   -2.04701853     -0.392095506       4.50881720               0
 C   -2.56193995     -0.369386137       5.47616100               0
 H   -4.48719263     -0.372375816       4.50329542               0
 C   -3.96299219     -0.358205497       5.46798944               0
 H    3.56184030     -0.543769956       6.84349346               0
 C    2.46813488     -0.497712106       6.80311489               0
 C    1.73565853     -0.454279870       8.01581764               0
 C  -0.371067852     -0.393806010       6.70204449               0
 C   0.299740583     -0.401671290       7.96656370               0
 C   -1.83498013     -0.358869702       6.67125702               0
 C   -2.56002498     -0.335399568       7.90506363               0
 C   -4.67883539     -0.333480537       6.64996719               0
 C   -3.99771547     -0.322875917       7.89284801               0
 H   -5.77436495     -0.331992805       6.64368296               0
 H    3.47787905     -0.524522066       9.29622459               0
 C    2.38414526     -0.468754202       9.27122688               0
 C    1.67610312     -0.436011136       10.4669962               0
 C  -0.438315421     -0.360548079       9.18383598               0
 C   0.238675207     -0.374962330       10.4292860               0
 C   -1.87418652     -0.327654868       9.15317059               0
 C   -2.60406017     -0.308580041       10.3683586               0
 C   -4.69968033     -0.306638896       9.11882114               0
 C   -4.04289007     -0.301832587       10.3438969               0
 H   -5.79500151     -0.313961923       9.09663486               0
 H    3.42448068     -0.525476336       11.7681561               0
 C    2.33072996     -0.469134182       11.7447100               0
 C    1.61764205     -0.436717689       12.9071388               0
 C  -0.497103274     -0.346917629       11.6492100               0
 C   0.185570627     -0.374371797       12.9013252               0
 C   -1.92065692     -0.312984943       11.6186638               0
 C   -2.65713143     -0.304132611       12.8402901               0
 C   -4.75252199     -0.298380941       11.5920305               0
 C   -4.08941031     -0.295592725       12.7841587               0
 H   -5.84761000     -0.301523298       11.5673904               0
 H    2.13158655     -0.467427284       13.8733711               0
 C  -0.569535732     -0.352474779       14.0919476               0
 H   -4.36437018E-02 -0.373296499       15.0520992               0
 C   -1.95398569     -0.317517847       14.0622301               0
 H   -2.52203417     -0.310484171       14.9984589               0
 H   -4.64600182     -0.295406610       13.7269678               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.251982957     out: c-100-Gph-Perp|G_0.00_0.00_1.00.out                         
 H    2.36625218     -0.533391654       5.04886818               0
 C    1.80405855     -0.492984384       5.99009991               0
 H   -6.95883632E-02 -0.442161053       4.95071507               0
 C   0.404699475     -0.440759510       5.93909311               0
 H   -2.04701853     -0.392095506       4.90881729               0
 C   -2.56193995     -0.369386137       5.87616110               0
 H   -4.48719263     -0.372375816       4.90329552               0
 C   -3.96299219     -0.358205497       5.86798954               0
 H    3.56184030     -0.543769956       7.24349356               0
 C    2.46813488     -0.497712106       7.20311499               0
 C    1.73565853     -0.454279870       8.41581726               0
 C  -0.371067852     -0.393806010       7.10204458               0
 C   0.299740583     -0.401671290       8.36656380               0
 C   -1.83498013     -0.358869702       7.07125711               0
 C   -2.56002498     -0.335399568       8.30506325               0
 C   -4.67883539     -0.333480537       7.04996729               0
 C   -3.99771547     -0.322875917       8.29284859               0
 H   -5.77436495     -0.331992805       7.04368305               0
 H    3.47787905     -0.524522066       9.69622421               0
 C    2.38414526     -0.468754202       9.67122650               0
 C    1.67610312     -0.436011136       10.8669958               0
 C  -0.438315421     -0.360548079       9.58383560               0
 C   0.238675207     -0.374962330       10.8292856               0
 C   -1.87418652     -0.327654868       9.55317020               0
 C   -2.60406017     -0.308580041       10.7683582               0
 C   -4.69968033     -0.306638896       9.51882076               0
 C   -4.04289007     -0.301832587       10.7438965               0
 H   -5.79500151     -0.313961923       9.49663448               0
 H    3.42448068     -0.525476336       12.1681557               0
 C    2.33072996     -0.469134182       12.1447096               0
 C    1.61764205     -0.436717689       13.3071384               0
 C  -0.497103274     -0.346917629       12.0492096               0
 C   0.185570627     -0.374371797       13.3013248               0
 C   -1.92065692     -0.312984943       12.0186634               0
 C   -2.65713143     -0.304132611       13.2402897               0
 C   -4.75252199     -0.298380941       11.9920301               0
 C   -4.08941031     -0.295592725       13.1841583               0
 H   -5.84761000     -0.301523298       11.9673901               0
 H    2.13158655     -0.467427284       14.2733707               0
 C  -0.569535732     -0.352474779       14.4919472               0
 H   -4.36437018E-02 -0.373296499       15.4520988               0
 C   -1.95398569     -0.317517847       14.4622297               0
 H   -2.52203417     -0.310484171       15.3984585               0
 H   -4.64600182     -0.295406610       14.1269674               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.143596441     out: c-100-Gph-Perp|G_0.00_0.00_1.60.out                         
 H    2.36625218     -0.533391654       5.64886808               0
 C    1.80405855     -0.492984384       6.59009981               0
 H   -6.95883632E-02 -0.442161053       5.55071497               0
 C   0.404699475     -0.440759510       6.53909302               0
 H   -2.04701853     -0.392095506       5.50881720               0
 C   -2.56193995     -0.369386137       6.47616100               0
 H   -4.48719263     -0.372375816       5.50329542               0
 C   -3.96299219     -0.358205497       6.46798944               0
 H    3.56184030     -0.543769956       7.84349346               0
 C    2.46813488     -0.497712106       7.80311489               0
 C    1.73565853     -0.454279870       9.01581764               0
 C  -0.371067852     -0.393806010       7.70204449               0
 C   0.299740583     -0.401671290       8.96656418               0
 C   -1.83498013     -0.358869702       7.67125702               0
 C   -2.56002498     -0.335399568       8.90506363               0
 C   -4.67883539     -0.333480537       7.64996719               0
 C   -3.99771547     -0.322875917       8.89284801               0
 H   -5.77436495     -0.331992805       7.64368296               0
 H    3.47787905     -0.524522066       10.2962246               0
 C    2.38414526     -0.468754202       10.2712269               0
 C    1.67610312     -0.436011136       11.4669962               0
 C  -0.438315421     -0.360548079       10.1838360               0
 C   0.238675207     -0.374962330       11.4292860               0
 C   -1.87418652     -0.327654868       10.1531706               0
 C   -2.60406017     -0.308580041       11.3683586               0
 C   -4.69968033     -0.306638896       10.1188211               0
 C   -4.04289007     -0.301832587       11.3438969               0
 H   -5.79500151     -0.313961923       10.0966349               0
 H    3.42448068     -0.525476336       12.7681561               0
 C    2.33072996     -0.469134182       12.7447100               0
 C    1.61764205     -0.436717689       13.9071388               0
 C  -0.497103274     -0.346917629       12.6492100               0
 C   0.185570627     -0.374371797       13.9013252               0
 C   -1.92065692     -0.312984943       12.6186638               0
 C   -2.65713143     -0.304132611       13.8402901               0
 C   -4.75252199     -0.298380941       12.5920305               0
 C   -4.08941031     -0.295592725       13.7841587               0
 H   -5.84761000     -0.301523298       12.5673904               0
 H    2.13158655     -0.467427284       14.8733711               0
 C  -0.569535732     -0.352474779       15.0919476               0
 H   -4.36437018E-02 -0.373296499       16.0520992               0
 C   -1.95398569     -0.317517847       15.0622301               0
 H   -2.52203417     -0.310484171       15.9984589               0
 H   -4.64600182     -0.295406610       14.7269678               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:  -6.65345863E-02 out: c-100-Gph-Perp|G_0.00_0.00_2.40.out                         
 H    2.36625218     -0.533391654       6.44886827               0
 C    1.80405855     -0.492984384       7.39010000               0
 H   -6.95883632E-02 -0.442161053       6.35071468               0
 C   0.404699475     -0.440759510       7.33909321               0
 H   -2.04701853     -0.392095506       6.30881691               0
 C   -2.56193995     -0.369386137       7.27616119               0
 H   -4.48719263     -0.372375816       6.30329514               0
 C   -3.96299219     -0.358205497       7.26798964               0
 H    3.56184030     -0.543769956       8.64349365               0
 C    2.46813488     -0.497712106       8.60311508               0
 C    1.73565853     -0.454279870       9.81581783               0
 C  -0.371067852     -0.393806010       8.50204468               0
 C   0.299740583     -0.401671290       9.76656342               0
 C   -1.83498013     -0.358869702       8.47125721               0
 C   -2.56002498     -0.335399568       9.70506382               0
 C   -4.67883539     -0.333480537       8.44996738               0
 C   -3.99771547     -0.322875917       9.69284821               0
 H   -5.77436495     -0.331992805       8.44368362               0
 H    3.47787905     -0.524522066       11.0962238               0
 C    2.38414526     -0.468754202       11.0712261               0
 C    1.67610312     -0.436011136       12.2669964               0
 C  -0.438315421     -0.360548079       10.9838352               0
 C   0.238675207     -0.374962330       12.2292862               0
 C   -1.87418652     -0.327654868       10.9531708               0
 C   -2.60406017     -0.308580041       12.1683578               0
 C   -4.69968033     -0.306638896       10.9188213               0
 C   -4.04289007     -0.301832587       12.1438961               0
 H   -5.79500151     -0.313961923       10.8966351               0
 H    3.42448068     -0.525476336       13.5681553               0
 C    2.33072996     -0.469134182       13.5447102               0
 C    1.61764205     -0.436717689       14.7071381               0
 C  -0.497103274     -0.346917629       13.4492092               0
 C   0.185570627     -0.374371797       14.7013245               0
 C   -1.92065692     -0.312984943       13.4186630               0
 C   -2.65713143     -0.304132611       14.6402893               0
 C   -4.75252199     -0.298380941       13.3920307               0
 C   -4.08941031     -0.295592725       14.5841579               0
 H   -5.84761000     -0.301523298       13.3673897               0
 H    2.13158655     -0.467427284       15.6733704               0
 C  -0.569535732     -0.352474779       15.8919468               0
 H   -4.36437018E-02 -0.373296499       16.8520985               0
 C   -1.95398569     -0.317517847       15.8622303               0
 H   -2.52203417     -0.310484171       16.7984581               0
 H   -4.64600182     -0.295406610       15.5269680               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:  -2.49957088E-02 out: c-100-Gph-Perp|G_0.00_0.00_3.40.out                         
 H    2.36625218     -0.533391654       7.44886827               0
 C    1.80405855     -0.492984384       8.39010048               0
 H   -6.95883632E-02 -0.442161053       7.35071468               0
 C   0.404699475     -0.440759510       8.33909321               0
 H   -2.04701853     -0.392095506       7.30881691               0
 C   -2.56193995     -0.369386137       8.27616119               0
 H   -4.48719263     -0.372375816       7.30329514               0
 C   -3.96299219     -0.358205497       8.26799011               0
 H    3.56184030     -0.543769956       9.64349365               0
 C    2.46813488     -0.497712106       9.60311508               0
 C    1.73565853     -0.454279870       10.8158178               0
 C  -0.371067852     -0.393806010       9.50204468               0
 C   0.299740583     -0.401671290       10.7665634               0
 C   -1.83498013     -0.358869702       9.47125721               0
 C   -2.56002498     -0.335399568       10.7050638               0
 C   -4.67883539     -0.333480537       9.44996738               0
 C   -3.99771547     -0.322875917       10.6928482               0
 H   -5.77436495     -0.331992805       9.44368362               0
 H    3.47787905     -0.524522066       12.0962238               0
 C    2.38414526     -0.468754202       12.0712261               0
 C    1.67610312     -0.436011136       13.2669964               0
 C  -0.438315421     -0.360548079       11.9838352               0
 C   0.238675207     -0.374962330       13.2292862               0
 C   -1.87418652     -0.327654868       11.9531708               0
 C   -2.60406017     -0.308580041       13.1683578               0
 C   -4.69968033     -0.306638896       11.9188213               0
 C   -4.04289007     -0.301832587       13.1438961               0
 H   -5.79500151     -0.313961923       11.8966351               0
 H    3.42448068     -0.525476336       14.5681553               0
 C    2.33072996     -0.469134182       14.5447102               0
 C    1.61764205     -0.436717689       15.7071381               0
 C  -0.497103274     -0.346917629       14.4492092               0
 C   0.185570627     -0.374371797       15.7013245               0
 C   -1.92065692     -0.312984943       14.4186630               0
 C   -2.65713143     -0.304132611       15.6402893               0
 C   -4.75252199     -0.298380941       14.3920307               0
 C   -4.08941031     -0.295592725       15.5841579               0
 H   -5.84761000     -0.301523298       14.3673897               0
 H    2.13158655     -0.467427284       16.6733704               0
 C  -0.569535732     -0.352474779       16.8919468               0
 H   -4.36437018E-02 -0.373296499       17.8520985               0
 C   -1.95398569     -0.317517847       16.8622303               0
 H   -2.52203417     -0.310484171       17.7984581               0
 H   -4.64600182     -0.295406610       16.5269680               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:   0.00000000     out: c-100-Gph-Perp|G_0.00_0.00_6.00.out                         
 H    2.36625218     -0.533391654       10.0488682               0
 C    1.80405855     -0.492984384       10.9900999               0
 H   -6.95883632E-02 -0.442161053       9.95071507               0
 C   0.404699475     -0.440759510       10.9390926               0
 H   -2.04701853     -0.392095506       9.90881729               0
 C   -2.56193995     -0.369386137       10.8761616               0
 H   -4.48719263     -0.372375816       9.90329552               0
 C   -3.96299219     -0.358205497       10.8679895               0
 H    3.56184030     -0.543769956       12.2434940               0
 C    2.46813488     -0.497712106       12.2031155               0
 C    1.73565853     -0.454279870       13.4158173               0
 C  -0.371067852     -0.393806010       12.1020451               0
 C   0.299740583     -0.401671290       13.3665638               0
 C   -1.83498013     -0.358869702       12.0712566               0
 C   -2.56002498     -0.335399568       13.3050632               0
 C   -4.67883539     -0.333480537       12.0499668               0
 C   -3.99771547     -0.322875917       13.2928486               0
 H   -5.77436495     -0.331992805       12.0436831               0
 H    3.47787905     -0.524522066       14.6962242               0
 C    2.38414526     -0.468754202       14.6712265               0
 C    1.67610312     -0.436011136       15.8669958               0
 C  -0.438315421     -0.360548079       14.5838356               0
 C   0.238675207     -0.374962330       15.8292856               0
 C   -1.87418652     -0.327654868       14.5531702               0
 C   -2.60406017     -0.308580041       15.7683582               0
 C   -4.69968033     -0.306638896       14.5188208               0
 C   -4.04289007     -0.301832587       15.7438965               0
 H   -5.79500151     -0.313961923       14.4966345               0
 H    3.42448068     -0.525476336       17.1681557               0
 C    2.33072996     -0.469134182       17.1447105               0
 C    1.61764205     -0.436717689       18.3071384               0
 C  -0.497103274     -0.346917629       17.0492096               0
 C   0.185570627     -0.374371797       18.3013248               0
 C   -1.92065692     -0.312984943       17.0186634               0
 C   -2.65713143     -0.304132611       18.2402897               0
 C   -4.75252199     -0.298380941       16.9920311               0
 C   -4.08941031     -0.295592725       18.1841583               0
 H   -5.84761000     -0.301523298       16.9673901               0
 H    2.13158655     -0.467427284       19.2733707               0
 C  -0.569535732     -0.352474779       19.4919472               0
 H   -4.36437018E-02 -0.373296499       20.4520988               0
 C   -1.95398569     -0.317517847       19.4622307               0
 H   -2.52203417     -0.310484171       20.3984585               0
 H   -4.64600182     -0.295406610       19.1269684               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.516672730     out: c-100-Gph-Perp|G_0.00_1.24_-0.10.out                        
 H    2.36625218      0.706608355       3.94886827               0
 C    1.80405855      0.747015595       4.89010000               0
 H   -6.95883632E-02  0.797838926       3.85071492               0
 C   0.404699475      0.799240470       4.83909321               0
 H   -2.04701853      0.847904503       3.80881715               0
 C   -2.56193995      0.870613873       4.77616119               0
 H   -4.48719263      0.867624164       3.80329537               0
 C   -3.96299219      0.881794512       4.76798964               0
 H    3.56184030      0.696230054       6.14349365               0
 C    2.46813488      0.742287874       6.10311508               0
 C    1.73565853      0.785720110       7.31581783               0
 C  -0.371067852      0.846194029       6.00204468               0
 C   0.299740583      0.838328719       7.26656389               0
 C   -1.83498013      0.881130338       5.97125721               0
 C   -2.56002498      0.904600441       7.20506382               0
 C   -4.67883539      0.906519473       5.94996738               0
 C   -3.99771547      0.917124093       7.19284821               0
 H   -5.77436495      0.908007205       5.94368315               0
 H    3.47787905      0.715477943       8.59622383               0
 C    2.38414526      0.771245837       8.57122612               0
 C    1.67610312      0.803988874       9.76699543               0
 C  -0.438315421      0.879451931       8.48383522               0
 C   0.238675207      0.865037680       9.72928524               0
 C   -1.87418652      0.912345171       8.45316982               0
 C   -2.60406017      0.931419969       9.66835785               0
 C   -4.69968033      0.933361113       8.41882038               0
 C   -4.04289007      0.938167453       9.64389610               0
 H   -5.79500151      0.926038086       8.39663410               0
 H    3.42448068      0.714523673       11.0681553               0
 C    2.33072996      0.770865798       11.0447092               0
 C    1.61764205      0.803282320       12.2071381               0
 C  -0.497103274      0.893082380       10.9492092               0
 C   0.185570627      0.865628242       12.2013245               0
 C   -1.92065692      0.927015066       10.9186630               0
 C   -2.65713143      0.935867429       12.1402893               0
 C   -4.75252199      0.941619039       10.8920298               0
 C   -4.08941031      0.944407284       12.0841579               0
 H   -5.84761000      0.938476682       10.8673897               0
 H    2.13158655      0.772572756       13.1733704               0
 C  -0.569535732      0.887525201       13.3919468               0
 H   -4.36437018E-02  0.866703510       14.3520985               0
 C   -1.95398569      0.922482133       13.3622293               0
 H   -2.52203417      0.929515839       14.2984581               0
 H   -4.64600182      0.944593430       13.0269670               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.529953122     out: c-100-Gph-Perp|G_0.00_1.24_-0.30.out                        
 H    2.36625218      0.706608355       3.74886823               0
 C    1.80405855      0.747015595       4.69009972               0
 H   -6.95883632E-02  0.797838926       3.65071487               0
 C   0.404699475      0.799240470       4.63909292               0
 H   -2.04701853      0.847904503       3.60881710               0
 C   -2.56193995      0.870613873       4.57616091               0
 H   -4.48719263      0.867624164       3.60329533               0
 C   -3.96299219      0.881794512       4.56798935               0
 H    3.56184030      0.696230054       5.94349337               0
 C    2.46813488      0.742287874       5.90311480               0
 C    1.73565853      0.785720110       7.11581755               0
 C  -0.371067852      0.846194029       5.80204439               0
 C   0.299740583      0.838328719       7.06656361               0
 C   -1.83498013      0.881130338       5.77125692               0
 C   -2.56002498      0.904600441       7.00506353               0
 C   -4.67883539      0.906519473       5.74996710               0
 C   -3.99771547      0.917124093       6.99284792               0
 H   -5.77436495      0.908007205       5.74368286               0
 H    3.47787905      0.715477943       8.39622402               0
 C    2.38414526      0.771245837       8.37122631               0
 C    1.67610312      0.803988874       9.56699562               0
 C  -0.438315421      0.879451931       8.28383541               0
 C   0.238675207      0.865037680       9.52928543               0
 C   -1.87418652      0.912345171       8.25317001               0
 C   -2.60406017      0.931419969       9.46835804               0
 C   -4.69968033      0.933361113       8.21882057               0
 C   -4.04289007      0.938167453       9.44389629               0
 H   -5.79500151      0.926038086       8.19663429               0
 H    3.42448068      0.714523673       10.8681555               0
 C    2.33072996      0.770865798       10.8447094               0
 C    1.61764205      0.803282320       12.0071383               0
 C  -0.497103274      0.893082380       10.7492094               0
 C   0.185570627      0.865628242       12.0013247               0
 C   -1.92065692      0.927015066       10.7186632               0
 C   -2.65713143      0.935867429       11.9402895               0
 C   -4.75252199      0.941619039       10.6920300               0
 C   -4.08941031      0.944407284       11.8841581               0
 H   -5.84761000      0.938476682       10.6673899               0
 H    2.13158655      0.772572756       12.9733706               0
 C  -0.569535732      0.887525201       13.1919470               0
 H   -4.36437018E-02  0.866703510       14.1520987               0
 C   -1.95398569      0.922482133       13.1622295               0
 H   -2.52203417      0.929515839       14.0984583               0
 H   -4.64600182      0.944593430       12.8269672               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.425272614     out: c-100-Gph-Perp|G_0.00_1.24_0.30.out                         
 H    2.36625218      0.706608355       4.34886837               0
 C    1.80405855      0.747015595       5.29010010               0
 H   -6.95883632E-02  0.797838926       4.25071478               0
 C   0.404699475      0.799240470       5.23909330               0
 H   -2.04701853      0.847904503       4.20881701               0
 C   -2.56193995      0.870613873       5.17616129               0
 H   -4.48719263      0.867624164       4.20329523               0
 C   -3.96299219      0.881794512       5.16798973               0
 H    3.56184030      0.696230054       6.54349375               0
 C    2.46813488      0.742287874       6.50311518               0
 C    1.73565853      0.785720110       7.71581793               0
 C  -0.371067852      0.846194029       6.40204477               0
 C   0.299740583      0.838328719       7.66656399               0
 C   -1.83498013      0.881130338       6.37125731               0
 C   -2.56002498      0.904600441       7.60506392               0
 C   -4.67883539      0.906519473       6.34996748               0
 C   -3.99771547      0.917124093       7.59284830               0
 H   -5.77436495      0.908007205       6.34368324               0
 H    3.47787905      0.715477943       8.99622440               0
 C    2.38414526      0.771245837       8.97122669               0
 C    1.67610312      0.803988874       10.1669960               0
 C  -0.438315421      0.879451931       8.88383579               0
 C   0.238675207      0.865037680       10.1292858               0
 C   -1.87418652      0.912345171       8.85317039               0
 C   -2.60406017      0.931419969       10.0683584               0
 C   -4.69968033      0.933361113       8.81882095               0
 C   -4.04289007      0.938167453       10.0438967               0
 H   -5.79500151      0.926038086       8.79663467               0
 H    3.42448068      0.714523673       11.4681559               0
 C    2.33072996      0.770865798       11.4447098               0
 C    1.61764205      0.803282320       12.6071386               0
 C  -0.497103274      0.893082380       11.3492098               0
 C   0.185570627      0.865628242       12.6013250               0
 C   -1.92065692      0.927015066       11.3186636               0
 C   -2.65713143      0.935867429       12.5402899               0
 C   -4.75252199      0.941619039       11.2920303               0
 C   -4.08941031      0.944407284       12.4841585               0
 H   -5.84761000      0.938476682       11.2673903               0
 H    2.13158655      0.772572756       13.5733709               0
 C  -0.569535732      0.887525201       13.7919474               0
 H   -4.36437018E-02  0.866703510       14.7520990               0
 C   -1.95398569      0.922482133       13.7622299               0
 H   -2.52203417      0.929515839       14.6984587               0
 H   -4.64600182      0.944593430       13.4269676               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.343896002     out: c-100-Gph-Perp|G_0.00_1.24_0.60.out                         
 H    2.36625218      0.706608355       4.64886808               0
 C    1.80405855      0.747015595       5.59009981               0
 H   -6.95883632E-02  0.797838926       4.55071497               0
 C   0.404699475      0.799240470       5.53909302               0
 H   -2.04701853      0.847904503       4.50881720               0
 C   -2.56193995      0.870613873       5.47616100               0
 H   -4.48719263      0.867624164       4.50329542               0
 C   -3.96299219      0.881794512       5.46798944               0
 H    3.56184030      0.696230054       6.84349346               0
 C    2.46813488      0.742287874       6.80311489               0
 C    1.73565853      0.785720110       8.01581764               0
 C  -0.371067852      0.846194029       6.70204449               0
 C   0.299740583      0.838328719       7.96656370               0
 C   -1.83498013      0.881130338       6.67125702               0
 C   -2.56002498      0.904600441       7.90506363               0
 C   -4.67883539      0.906519473       6.64996719               0
 C   -3.99771547      0.917124093       7.89284801               0
 H   -5.77436495      0.908007205       6.64368296               0
 H    3.47787905      0.715477943       9.29622459               0
 C    2.38414526      0.771245837       9.27122688               0
 C    1.67610312      0.803988874       10.4669962               0
 C  -0.438315421      0.879451931       9.18383598               0
 C   0.238675207      0.865037680       10.4292860               0
 C   -1.87418652      0.912345171       9.15317059               0
 C   -2.60406017      0.931419969       10.3683586               0
 C   -4.69968033      0.933361113       9.11882114               0
 C   -4.04289007      0.938167453       10.3438969               0
 H   -5.79500151      0.926038086       9.09663486               0
 H    3.42448068      0.714523673       11.7681561               0
 C    2.33072996      0.770865798       11.7447100               0
 C    1.61764205      0.803282320       12.9071388               0
 C  -0.497103274      0.893082380       11.6492100               0
 C   0.185570627      0.865628242       12.9013252               0
 C   -1.92065692      0.927015066       11.6186638               0
 C   -2.65713143      0.935867429       12.8402901               0
 C   -4.75252199      0.941619039       11.5920305               0
 C   -4.08941031      0.944407284       12.7841587               0
 H   -5.84761000      0.938476682       11.5673904               0
 H    2.13158655      0.772572756       13.8733711               0
 C  -0.569535732      0.887525201       14.0919476               0
 H   -4.36437018E-02  0.866703510       15.0520992               0
 C   -1.95398569      0.922482133       14.0622301               0
 H   -2.52203417      0.929515839       14.9984589               0
 H   -4.64600182      0.944593430       13.7269678               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.242773682     out: c-100-Gph-Perp|G_0.00_1.24_1.00.out                         
 H    2.36625218      0.706608355       5.04886818               0
 C    1.80405855      0.747015595       5.99009991               0
 H   -6.95883632E-02  0.797838926       4.95071507               0
 C   0.404699475      0.799240470       5.93909311               0
 H   -2.04701853      0.847904503       4.90881729               0
 C   -2.56193995      0.870613873       5.87616110               0
 H   -4.48719263      0.867624164       4.90329552               0
 C   -3.96299219      0.881794512       5.86798954               0
 H    3.56184030      0.696230054       7.24349356               0
 C    2.46813488      0.742287874       7.20311499               0
 C    1.73565853      0.785720110       8.41581726               0
 C  -0.371067852      0.846194029       7.10204458               0
 C   0.299740583      0.838328719       8.36656380               0
 C   -1.83498013      0.881130338       7.07125711               0
 C   -2.56002498      0.904600441       8.30506325               0
 C   -4.67883539      0.906519473       7.04996729               0
 C   -3.99771547      0.917124093       8.29284859               0
 H   -5.77436495      0.908007205       7.04368305               0
 H    3.47787905      0.715477943       9.69622421               0
 C    2.38414526      0.771245837       9.67122650               0
 C    1.67610312      0.803988874       10.8669958               0
 C  -0.438315421      0.879451931       9.58383560               0
 C   0.238675207      0.865037680       10.8292856               0
 C   -1.87418652      0.912345171       9.55317020               0
 C   -2.60406017      0.931419969       10.7683582               0
 C   -4.69968033      0.933361113       9.51882076               0
 C   -4.04289007      0.938167453       10.7438965               0
 H   -5.79500151      0.926038086       9.49663448               0
 H    3.42448068      0.714523673       12.1681557               0
 C    2.33072996      0.770865798       12.1447096               0
 C    1.61764205      0.803282320       13.3071384               0
 C  -0.497103274      0.893082380       12.0492096               0
 C   0.185570627      0.865628242       13.3013248               0
 C   -1.92065692      0.927015066       12.0186634               0
 C   -2.65713143      0.935867429       13.2402897               0
 C   -4.75252199      0.941619039       11.9920301               0
 C   -4.08941031      0.944407284       13.1841583               0
 H   -5.84761000      0.938476682       11.9673901               0
 H    2.13158655      0.772572756       14.2733707               0
 C  -0.569535732      0.887525201       14.4919472               0
 H   -4.36437018E-02  0.866703510       15.4520988               0
 C   -1.95398569      0.922482133       14.4622297               0
 H   -2.52203417      0.929515839       15.3984585               0
 H   -4.64600182      0.944593430       14.1269674               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.137013182     out: c-100-Gph-Perp|G_0.00_1.24_1.60.out                         
 H    2.36625218      0.706608355       5.64886808               0
 C    1.80405855      0.747015595       6.59009981               0
 H   -6.95883632E-02  0.797838926       5.55071497               0
 C   0.404699475      0.799240470       6.53909302               0
 H   -2.04701853      0.847904503       5.50881720               0
 C   -2.56193995      0.870613873       6.47616100               0
 H   -4.48719263      0.867624164       5.50329542               0
 C   -3.96299219      0.881794512       6.46798944               0
 H    3.56184030      0.696230054       7.84349346               0
 C    2.46813488      0.742287874       7.80311489               0
 C    1.73565853      0.785720110       9.01581764               0
 C  -0.371067852      0.846194029       7.70204449               0
 C   0.299740583      0.838328719       8.96656418               0
 C   -1.83498013      0.881130338       7.67125702               0
 C   -2.56002498      0.904600441       8.90506363               0
 C   -4.67883539      0.906519473       7.64996719               0
 C   -3.99771547      0.917124093       8.89284801               0
 H   -5.77436495      0.908007205       7.64368296               0
 H    3.47787905      0.715477943       10.2962246               0
 C    2.38414526      0.771245837       10.2712269               0
 C    1.67610312      0.803988874       11.4669962               0
 C  -0.438315421      0.879451931       10.1838360               0
 C   0.238675207      0.865037680       11.4292860               0
 C   -1.87418652      0.912345171       10.1531706               0
 C   -2.60406017      0.931419969       11.3683586               0
 C   -4.69968033      0.933361113       10.1188211               0
 C   -4.04289007      0.938167453       11.3438969               0
 H   -5.79500151      0.926038086       10.0966349               0
 H    3.42448068      0.714523673       12.7681561               0
 C    2.33072996      0.770865798       12.7447100               0
 C    1.61764205      0.803282320       13.9071388               0
 C  -0.497103274      0.893082380       12.6492100               0
 C   0.185570627      0.865628242       13.9013252               0
 C   -1.92065692      0.927015066       12.6186638               0
 C   -2.65713143      0.935867429       13.8402901               0
 C   -4.75252199      0.941619039       12.5920305               0
 C   -4.08941031      0.944407284       13.7841587               0
 H   -5.84761000      0.938476682       12.5673904               0
 H    2.13158655      0.772572756       14.8733711               0
 C  -0.569535732      0.887525201       15.0919476               0
 H   -4.36437018E-02  0.866703510       16.0520992               0
 C   -1.95398569      0.922482133       15.0622301               0
 H   -2.52203417      0.929515839       15.9984589               0
 H   -4.64600182      0.944593430       14.7269678               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:  -6.29663542E-02 out: c-100-Gph-Perp|G_0.00_1.24_2.40.out                         
 H    2.36625218      0.706608355       6.44886827               0
 C    1.80405855      0.747015595       7.39010000               0
 H   -6.95883632E-02  0.797838926       6.35071468               0
 C   0.404699475      0.799240470       7.33909321               0
 H   -2.04701853      0.847904503       6.30881691               0
 C   -2.56193995      0.870613873       7.27616119               0
 H   -4.48719263      0.867624164       6.30329514               0
 C   -3.96299219      0.881794512       7.26798964               0
 H    3.56184030      0.696230054       8.64349365               0
 C    2.46813488      0.742287874       8.60311508               0
 C    1.73565853      0.785720110       9.81581783               0
 C  -0.371067852      0.846194029       8.50204468               0
 C   0.299740583      0.838328719       9.76656342               0
 C   -1.83498013      0.881130338       8.47125721               0
 C   -2.56002498      0.904600441       9.70506382               0
 C   -4.67883539      0.906519473       8.44996738               0
 C   -3.99771547      0.917124093       9.69284821               0
 H   -5.77436495      0.908007205       8.44368362               0
 H    3.47787905      0.715477943       11.0962238               0
 C    2.38414526      0.771245837       11.0712261               0
 C    1.67610312      0.803988874       12.2669964               0
 C  -0.438315421      0.879451931       10.9838352               0
 C   0.238675207      0.865037680       12.2292862               0
 C   -1.87418652      0.912345171       10.9531708               0
 C   -2.60406017      0.931419969       12.1683578               0
 C   -4.69968033      0.933361113       10.9188213               0
 C   -4.04289007      0.938167453       12.1438961               0
 H   -5.79500151      0.926038086       10.8966351               0
 H    3.42448068      0.714523673       13.5681553               0
 C    2.33072996      0.770865798       13.5447102               0
 C    1.61764205      0.803282320       14.7071381               0
 C  -0.497103274      0.893082380       13.4492092               0
 C   0.185570627      0.865628242       14.7013245               0
 C   -1.92065692      0.927015066       13.4186630               0
 C   -2.65713143      0.935867429       14.6402893               0
 C   -4.75252199      0.941619039       13.3920307               0
 C   -4.08941031      0.944407284       14.5841579               0
 H   -5.84761000      0.938476682       13.3673897               0
 H    2.13158655      0.772572756       15.6733704               0
 C  -0.569535732      0.887525201       15.8919468               0
 H   -4.36437018E-02  0.866703510       16.8520985               0
 C   -1.95398569      0.922482133       15.8622303               0
 H   -2.52203417      0.929515839       16.7984581               0
 H   -4.64600182      0.944593430       15.5269680               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:  -2.32988056E-02 out: c-100-Gph-Perp|G_0.00_1.24_3.40.out                         
 H    2.36625218      0.706608355       7.44886827               0
 C    1.80405855      0.747015595       8.39010048               0
 H   -6.95883632E-02  0.797838926       7.35071468               0
 C   0.404699475      0.799240470       8.33909321               0
 H   -2.04701853      0.847904503       7.30881691               0
 C   -2.56193995      0.870613873       8.27616119               0
 H   -4.48719263      0.867624164       7.30329514               0
 C   -3.96299219      0.881794512       8.26799011               0
 H    3.56184030      0.696230054       9.64349365               0
 C    2.46813488      0.742287874       9.60311508               0
 C    1.73565853      0.785720110       10.8158178               0
 C  -0.371067852      0.846194029       9.50204468               0
 C   0.299740583      0.838328719       10.7665634               0
 C   -1.83498013      0.881130338       9.47125721               0
 C   -2.56002498      0.904600441       10.7050638               0
 C   -4.67883539      0.906519473       9.44996738               0
 C   -3.99771547      0.917124093       10.6928482               0
 H   -5.77436495      0.908007205       9.44368362               0
 H    3.47787905      0.715477943       12.0962238               0
 C    2.38414526      0.771245837       12.0712261               0
 C    1.67610312      0.803988874       13.2669964               0
 C  -0.438315421      0.879451931       11.9838352               0
 C   0.238675207      0.865037680       13.2292862               0
 C   -1.87418652      0.912345171       11.9531708               0
 C   -2.60406017      0.931419969       13.1683578               0
 C   -4.69968033      0.933361113       11.9188213               0
 C   -4.04289007      0.938167453       13.1438961               0
 H   -5.79500151      0.926038086       11.8966351               0
 H    3.42448068      0.714523673       14.5681553               0
 C    2.33072996      0.770865798       14.5447102               0
 C    1.61764205      0.803282320       15.7071381               0
 C  -0.497103274      0.893082380       14.4492092               0
 C   0.185570627      0.865628242       15.7013245               0
 C   -1.92065692      0.927015066       14.4186630               0
 C   -2.65713143      0.935867429       15.6402893               0
 C   -4.75252199      0.941619039       14.3920307               0
 C   -4.08941031      0.944407284       15.5841579               0
 H   -5.84761000      0.938476682       14.3673897               0
 H    2.13158655      0.772572756       16.6733704               0
 C  -0.569535732      0.887525201       16.8919468               0
 H   -4.36437018E-02  0.866703510       17.8520985               0
 C   -1.95398569      0.922482133       16.8622303               0
 H   -2.52203417      0.929515839       17.7984581               0
 H   -4.64600182      0.944593430       16.5269680               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:   5.15791995E-04 out: c-100-Gph-Perp|G_0.00_1.24_6.00.out                         
 H    2.36625218      0.706608355       10.0488682               0
 C    1.80405855      0.747015595       10.9900999               0
 H   -6.95883632E-02  0.797838926       9.95071507               0
 C   0.404699475      0.799240470       10.9390926               0
 H   -2.04701853      0.847904503       9.90881729               0
 C   -2.56193995      0.870613873       10.8761616               0
 H   -4.48719263      0.867624164       9.90329552               0
 C   -3.96299219      0.881794512       10.8679895               0
 H    3.56184030      0.696230054       12.2434940               0
 C    2.46813488      0.742287874       12.2031155               0
 C    1.73565853      0.785720110       13.4158173               0
 C  -0.371067852      0.846194029       12.1020451               0
 C   0.299740583      0.838328719       13.3665638               0
 C   -1.83498013      0.881130338       12.0712566               0
 C   -2.56002498      0.904600441       13.3050632               0
 C   -4.67883539      0.906519473       12.0499668               0
 C   -3.99771547      0.917124093       13.2928486               0
 H   -5.77436495      0.908007205       12.0436831               0
 H    3.47787905      0.715477943       14.6962242               0
 C    2.38414526      0.771245837       14.6712265               0
 C    1.67610312      0.803988874       15.8669958               0
 C  -0.438315421      0.879451931       14.5838356               0
 C   0.238675207      0.865037680       15.8292856               0
 C   -1.87418652      0.912345171       14.5531702               0
 C   -2.60406017      0.931419969       15.7683582               0
 C   -4.69968033      0.933361113       14.5188208               0
 C   -4.04289007      0.938167453       15.7438965               0
 H   -5.79500151      0.926038086       14.4966345               0
 H    3.42448068      0.714523673       17.1681557               0
 C    2.33072996      0.770865798       17.1447105               0
 C    1.61764205      0.803282320       18.3071384               0
 C  -0.497103274      0.893082380       17.0492096               0
 C   0.185570627      0.865628242       18.3013248               0
 C   -1.92065692      0.927015066       17.0186634               0
 C   -2.65713143      0.935867429       18.2402897               0
 C   -4.75252199      0.941619039       16.9920311               0
 C   -4.08941031      0.944407284       18.1841583               0
 H   -5.84761000      0.938476682       16.9673901               0
 H    2.13158655      0.772572756       19.2733707               0
 C  -0.569535732      0.887525201       19.4919472               0
 H   -4.36437018E-02  0.866703510       20.4520988               0
 C   -1.95398569      0.922482133       19.4622307               0
 H   -2.52203417      0.929515839       20.3984585               0
 H   -4.64600182      0.944593430       19.1269684               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.483341753     out: c-100-Gph-Perp|G_1.24_0.00_-0.10.out                        
 H    3.60625219     -0.533391654       3.94886827               0
 C    3.04405856     -0.492984384       4.89010000               0
 H    1.17041159     -0.442161053       3.85071492               0
 C    1.64469945     -0.440759510       4.83909321               0
 H  -0.807018518     -0.392095506       3.80881715               0
 C   -1.32193995     -0.369386137       4.77616119               0
 H   -3.24719262     -0.372375816       3.80329537               0
 C   -2.72299218     -0.358205497       4.76798964               0
 H    4.80184031     -0.543769956       6.14349365               0
 C    3.70813489     -0.497712106       6.10311508               0
 C    2.97565842     -0.454279870       7.31581783               0
 C   0.868932128     -0.393806010       6.00204468               0
 C    1.53974056     -0.401671290       7.26656389               0
 C  -0.594980121     -0.358869702       5.97125721               0
 C   -1.32002497     -0.335399568       7.20506382               0
 C   -3.43883538     -0.333480537       5.94996738               0
 C   -2.75771546     -0.322875917       7.19284821               0
 H   -4.53436470     -0.331992805       5.94368315               0
 H    4.71787930     -0.524522066       8.59622383               0
 C    3.62414527     -0.468754202       8.57122612               0
 C    2.91610312     -0.436011136       9.76699543               0
 C   0.801684618     -0.360548079       8.48383522               0
 C    1.47867525     -0.374962330       9.72928524               0
 C  -0.634186506     -0.327654868       8.45316982               0
 C   -1.36406016     -0.308580041       9.66835785               0
 C   -3.45968032     -0.306638896       8.41882038               0
 C   -2.80289006     -0.301832587       9.64389610               0
 H   -4.55500126     -0.313961923       8.39663410               0
 H    4.66448069     -0.525476336       11.0681553               0
 C    3.57072997     -0.469134182       11.0447092               0
 C    2.85764217     -0.436717689       12.2071381               0
 C   0.742896736     -0.346917629       10.9492092               0
 C    1.42557061     -0.374371797       12.2013245               0
 C  -0.680656910     -0.312984943       10.9186630               0
 C   -1.41713142     -0.304132611       12.1402893               0
 C   -3.51252198     -0.298380941       10.8920298               0
 C   -2.84941030     -0.295592725       12.0841579               0
 H   -4.60760975     -0.301523298       10.8673897               0
 H    3.37158656     -0.467427284       13.1733704               0
 C   0.670464277     -0.352474779       13.3919468               0
 H    1.19635630     -0.373296499       14.3520985               0
 C  -0.713985682     -0.317517847       13.3622293               0
 H   -1.28203416     -0.310484171       14.2984581               0
 H   -3.40600181     -0.295406610       13.0269670               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.464266002     out: c-100-Gph-Perp|G_1.24_0.00_-0.30.out                        
 H    3.60625219     -0.533391654       3.74886823               0
 C    3.04405856     -0.492984384       4.69009972               0
 H    1.17041159     -0.442161053       3.65071487               0
 C    1.64469945     -0.440759510       4.63909292               0
 H  -0.807018518     -0.392095506       3.60881710               0
 C   -1.32193995     -0.369386137       4.57616091               0
 H   -3.24719262     -0.372375816       3.60329533               0
 C   -2.72299218     -0.358205497       4.56798935               0
 H    4.80184031     -0.543769956       5.94349337               0
 C    3.70813489     -0.497712106       5.90311480               0
 C    2.97565842     -0.454279870       7.11581755               0
 C   0.868932128     -0.393806010       5.80204439               0
 C    1.53974056     -0.401671290       7.06656361               0
 C  -0.594980121     -0.358869702       5.77125692               0
 C   -1.32002497     -0.335399568       7.00506353               0
 C   -3.43883538     -0.333480537       5.74996710               0
 C   -2.75771546     -0.322875917       6.99284792               0
 H   -4.53436470     -0.331992805       5.74368286               0
 H    4.71787930     -0.524522066       8.39622402               0
 C    3.62414527     -0.468754202       8.37122631               0
 C    2.91610312     -0.436011136       9.56699562               0
 C   0.801684618     -0.360548079       8.28383541               0
 C    1.47867525     -0.374962330       9.52928543               0
 C  -0.634186506     -0.327654868       8.25317001               0
 C   -1.36406016     -0.308580041       9.46835804               0
 C   -3.45968032     -0.306638896       8.21882057               0
 C   -2.80289006     -0.301832587       9.44389629               0
 H   -4.55500126     -0.313961923       8.19663429               0
 H    4.66448069     -0.525476336       10.8681555               0
 C    3.57072997     -0.469134182       10.8447094               0
 C    2.85764217     -0.436717689       12.0071383               0
 C   0.742896736     -0.346917629       10.7492094               0
 C    1.42557061     -0.374371797       12.0013247               0
 C  -0.680656910     -0.312984943       10.7186632               0
 C   -1.41713142     -0.304132611       11.9402895               0
 C   -3.51252198     -0.298380941       10.6920300               0
 C   -2.84941030     -0.295592725       11.8841581               0
 H   -4.60760975     -0.301523298       10.6673899               0
 H    3.37158656     -0.467427284       12.9733706               0
 C   0.670464277     -0.352474779       13.1919470               0
 H    1.19635630     -0.373296499       14.1520987               0
 C  -0.713985682     -0.317517847       13.1622295               0
 H   -1.28203416     -0.310484171       14.0984583               0
 H   -3.40600181     -0.295406610       12.8269672               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.420729399     out: c-100-Gph-Perp|G_1.24_0.00_0.30.out                         
 H    3.60625219     -0.533391654       4.34886837               0
 C    3.04405856     -0.492984384       5.29010010               0
 H    1.17041159     -0.442161053       4.25071478               0
 C    1.64469945     -0.440759510       5.23909330               0
 H  -0.807018518     -0.392095506       4.20881701               0
 C   -1.32193995     -0.369386137       5.17616129               0
 H   -3.24719262     -0.372375816       4.20329523               0
 C   -2.72299218     -0.358205497       5.16798973               0
 H    4.80184031     -0.543769956       6.54349375               0
 C    3.70813489     -0.497712106       6.50311518               0
 C    2.97565842     -0.454279870       7.71581793               0
 C   0.868932128     -0.393806010       6.40204477               0
 C    1.53974056     -0.401671290       7.66656399               0
 C  -0.594980121     -0.358869702       6.37125731               0
 C   -1.32002497     -0.335399568       7.60506392               0
 C   -3.43883538     -0.333480537       6.34996748               0
 C   -2.75771546     -0.322875917       7.59284830               0
 H   -4.53436470     -0.331992805       6.34368324               0
 H    4.71787930     -0.524522066       8.99622440               0
 C    3.62414527     -0.468754202       8.97122669               0
 C    2.91610312     -0.436011136       10.1669960               0
 C   0.801684618     -0.360548079       8.88383579               0
 C    1.47867525     -0.374962330       10.1292858               0
 C  -0.634186506     -0.327654868       8.85317039               0
 C   -1.36406016     -0.308580041       10.0683584               0
 C   -3.45968032     -0.306638896       8.81882095               0
 C   -2.80289006     -0.301832587       10.0438967               0
 H   -4.55500126     -0.313961923       8.79663467               0
 H    4.66448069     -0.525476336       11.4681559               0
 C    3.57072997     -0.469134182       11.4447098               0
 C    2.85764217     -0.436717689       12.6071386               0
 C   0.742896736     -0.346917629       11.3492098               0
 C    1.42557061     -0.374371797       12.6013250               0
 C  -0.680656910     -0.312984943       11.3186636               0
 C   -1.41713142     -0.304132611       12.5402899               0
 C   -3.51252198     -0.298380941       11.2920303               0
 C   -2.84941030     -0.295592725       12.4841585               0
 H   -4.60760975     -0.301523298       11.2673903               0
 H    3.37158656     -0.467427284       13.5733709               0
 C   0.670464277     -0.352474779       13.7919474               0
 H    1.19635630     -0.373296499       14.7520990               0
 C  -0.713985682     -0.317517847       13.7622299               0
 H   -1.28203416     -0.310484171       14.6984587               0
 H   -3.40600181     -0.295406610       13.4269676               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.340485454     out: c-100-Gph-Perp|G_1.24_0.00_0.60.out                         
 H    3.60625219     -0.533391654       4.64886808               0
 C    3.04405856     -0.492984384       5.59009981               0
 H    1.17041159     -0.442161053       4.55071497               0
 C    1.64469945     -0.440759510       5.53909302               0
 H  -0.807018518     -0.392095506       4.50881720               0
 C   -1.32193995     -0.369386137       5.47616100               0
 H   -3.24719262     -0.372375816       4.50329542               0
 C   -2.72299218     -0.358205497       5.46798944               0
 H    4.80184031     -0.543769956       6.84349346               0
 C    3.70813489     -0.497712106       6.80311489               0
 C    2.97565842     -0.454279870       8.01581764               0
 C   0.868932128     -0.393806010       6.70204449               0
 C    1.53974056     -0.401671290       7.96656370               0
 C  -0.594980121     -0.358869702       6.67125702               0
 C   -1.32002497     -0.335399568       7.90506363               0
 C   -3.43883538     -0.333480537       6.64996719               0
 C   -2.75771546     -0.322875917       7.89284801               0
 H   -4.53436470     -0.331992805       6.64368296               0
 H    4.71787930     -0.524522066       9.29622459               0
 C    3.62414527     -0.468754202       9.27122688               0
 C    2.91610312     -0.436011136       10.4669962               0
 C   0.801684618     -0.360548079       9.18383598               0
 C    1.47867525     -0.374962330       10.4292860               0
 C  -0.634186506     -0.327654868       9.15317059               0
 C   -1.36406016     -0.308580041       10.3683586               0
 C   -3.45968032     -0.306638896       9.11882114               0
 C   -2.80289006     -0.301832587       10.3438969               0
 H   -4.55500126     -0.313961923       9.09663486               0
 H    4.66448069     -0.525476336       11.7681561               0
 C    3.57072997     -0.469134182       11.7447100               0
 C    2.85764217     -0.436717689       12.9071388               0
 C   0.742896736     -0.346917629       11.6492100               0
 C    1.42557061     -0.374371797       12.9013252               0
 C  -0.680656910     -0.312984943       11.6186638               0
 C   -1.41713142     -0.304132611       12.8402901               0
 C   -3.51252198     -0.298380941       11.5920305               0
 C   -2.84941030     -0.295592725       12.7841587               0
 H   -4.60760975     -0.301523298       11.5673904               0
 H    3.37158656     -0.467427284       13.8733711               0
 C   0.670464277     -0.352474779       14.0919476               0
 H    1.19635630     -0.373296499       15.0520992               0
 C  -0.713985682     -0.317517847       14.0622301               0
 H   -1.28203416     -0.310484171       14.9984589               0
 H   -3.40600181     -0.295406610       13.7269678               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.244162962     out: c-100-Gph-Perp|G_1.24_0.00_1.00.out                         
 H    3.60625219     -0.533391654       5.04886818               0
 C    3.04405856     -0.492984384       5.99009991               0
 H    1.17041159     -0.442161053       4.95071507               0
 C    1.64469945     -0.440759510       5.93909311               0
 H  -0.807018518     -0.392095506       4.90881729               0
 C   -1.32193995     -0.369386137       5.87616110               0
 H   -3.24719262     -0.372375816       4.90329552               0
 C   -2.72299218     -0.358205497       5.86798954               0
 H    4.80184031     -0.543769956       7.24349356               0
 C    3.70813489     -0.497712106       7.20311499               0
 C    2.97565842     -0.454279870       8.41581726               0
 C   0.868932128     -0.393806010       7.10204458               0
 C    1.53974056     -0.401671290       8.36656380               0
 C  -0.594980121     -0.358869702       7.07125711               0
 C   -1.32002497     -0.335399568       8.30506325               0
 C   -3.43883538     -0.333480537       7.04996729               0
 C   -2.75771546     -0.322875917       8.29284859               0
 H   -4.53436470     -0.331992805       7.04368305               0
 H    4.71787930     -0.524522066       9.69622421               0
 C    3.62414527     -0.468754202       9.67122650               0
 C    2.91610312     -0.436011136       10.8669958               0
 C   0.801684618     -0.360548079       9.58383560               0
 C    1.47867525     -0.374962330       10.8292856               0
 C  -0.634186506     -0.327654868       9.55317020               0
 C   -1.36406016     -0.308580041       10.7683582               0
 C   -3.45968032     -0.306638896       9.51882076               0
 C   -2.80289006     -0.301832587       10.7438965               0
 H   -4.55500126     -0.313961923       9.49663448               0
 H    4.66448069     -0.525476336       12.1681557               0
 C    3.57072997     -0.469134182       12.1447096               0
 C    2.85764217     -0.436717689       13.3071384               0
 C   0.742896736     -0.346917629       12.0492096               0
 C    1.42557061     -0.374371797       13.3013248               0
 C  -0.680656910     -0.312984943       12.0186634               0
 C   -1.41713142     -0.304132611       13.2402897               0
 C   -3.51252198     -0.298380941       11.9920301               0
 C   -2.84941030     -0.295592725       13.1841583               0
 H   -4.60760975     -0.301523298       11.9673901               0
 H    3.37158656     -0.467427284       14.2733707               0
 C   0.670464277     -0.352474779       14.4919472               0
 H    1.19635630     -0.373296499       15.4520988               0
 C  -0.713985682     -0.317517847       14.4622297               0
 H   -1.28203416     -0.310484171       15.3984585               0
 H   -3.40600181     -0.295406610       14.1269674               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.139536500     out: c-100-Gph-Perp|G_1.24_0.00_1.60.out                         
 H    3.60625219     -0.533391654       5.64886808               0
 C    3.04405856     -0.492984384       6.59009981               0
 H    1.17041159     -0.442161053       5.55071497               0
 C    1.64469945     -0.440759510       6.53909302               0
 H  -0.807018518     -0.392095506       5.50881720               0
 C   -1.32193995     -0.369386137       6.47616100               0
 H   -3.24719262     -0.372375816       5.50329542               0
 C   -2.72299218     -0.358205497       6.46798944               0
 H    4.80184031     -0.543769956       7.84349346               0
 C    3.70813489     -0.497712106       7.80311489               0
 C    2.97565842     -0.454279870       9.01581764               0
 C   0.868932128     -0.393806010       7.70204449               0
 C    1.53974056     -0.401671290       8.96656418               0
 C  -0.594980121     -0.358869702       7.67125702               0
 C   -1.32002497     -0.335399568       8.90506363               0
 C   -3.43883538     -0.333480537       7.64996719               0
 C   -2.75771546     -0.322875917       8.89284801               0
 H   -4.53436470     -0.331992805       7.64368296               0
 H    4.71787930     -0.524522066       10.2962246               0
 C    3.62414527     -0.468754202       10.2712269               0
 C    2.91610312     -0.436011136       11.4669962               0
 C   0.801684618     -0.360548079       10.1838360               0
 C    1.47867525     -0.374962330       11.4292860               0
 C  -0.634186506     -0.327654868       10.1531706               0
 C   -1.36406016     -0.308580041       11.3683586               0
 C   -3.45968032     -0.306638896       10.1188211               0
 C   -2.80289006     -0.301832587       11.3438969               0
 H   -4.55500126     -0.313961923       10.0966349               0
 H    4.66448069     -0.525476336       12.7681561               0
 C    3.57072997     -0.469134182       12.7447100               0
 C    2.85764217     -0.436717689       13.9071388               0
 C   0.742896736     -0.346917629       12.6492100               0
 C    1.42557061     -0.374371797       13.9013252               0
 C  -0.680656910     -0.312984943       12.6186638               0
 C   -1.41713142     -0.304132611       13.8402901               0
 C   -3.51252198     -0.298380941       12.5920305               0
 C   -2.84941030     -0.295592725       13.7841587               0
 H   -4.60760975     -0.301523298       12.5673904               0
 H    3.37158656     -0.467427284       14.8733711               0
 C   0.670464277     -0.352474779       15.0919476               0
 H    1.19635630     -0.373296499       16.0520992               0
 C  -0.713985682     -0.317517847       15.0622301               0
 H   -1.28203416     -0.310484171       15.9984589               0
 H   -3.40600181     -0.295406610       14.7269678               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:  -6.46730512E-02 out: c-100-Gph-Perp|G_1.24_0.00_2.40.out                         
 H    3.60625219     -0.533391654       6.44886827               0
 C    3.04405856     -0.492984384       7.39010000               0
 H    1.17041159     -0.442161053       6.35071468               0
 C    1.64469945     -0.440759510       7.33909321               0
 H  -0.807018518     -0.392095506       6.30881691               0
 C   -1.32193995     -0.369386137       7.27616119               0
 H   -3.24719262     -0.372375816       6.30329514               0
 C   -2.72299218     -0.358205497       7.26798964               0
 H    4.80184031     -0.543769956       8.64349365               0
 C    3.70813489     -0.497712106       8.60311508               0
 C    2.97565842     -0.454279870       9.81581783               0
 C   0.868932128     -0.393806010       8.50204468               0
 C    1.53974056     -0.401671290       9.76656342               0
 C  -0.594980121     -0.358869702       8.47125721               0
 C   -1.32002497     -0.335399568       9.70506382               0
 C   -3.43883538     -0.333480537       8.44996738               0
 C   -2.75771546     -0.322875917       9.69284821               0
 H   -4.53436470     -0.331992805       8.44368362               0
 H    4.71787930     -0.524522066       11.0962238               0
 C    3.62414527     -0.468754202       11.0712261               0
 C    2.91610312     -0.436011136       12.2669964               0
 C   0.801684618     -0.360548079       10.9838352               0
 C    1.47867525     -0.374962330       12.2292862               0
 C  -0.634186506     -0.327654868       10.9531708               0
 C   -1.36406016     -0.308580041       12.1683578               0
 C   -3.45968032     -0.306638896       10.9188213               0
 C   -2.80289006     -0.301832587       12.1438961               0
 H   -4.55500126     -0.313961923       10.8966351               0
 H    4.66448069     -0.525476336       13.5681553               0
 C    3.57072997     -0.469134182       13.5447102               0
 C    2.85764217     -0.436717689       14.7071381               0
 C   0.742896736     -0.346917629       13.4492092               0
 C    1.42557061     -0.374371797       14.7013245               0
 C  -0.680656910     -0.312984943       13.4186630               0
 C   -1.41713142     -0.304132611       14.6402893               0
 C   -3.51252198     -0.298380941       13.3920307               0
 C   -2.84941030     -0.295592725       14.5841579               0
 H   -4.60760975     -0.301523298       13.3673897               0
 H    3.37158656     -0.467427284       15.6733704               0
 C   0.670464277     -0.352474779       15.8919468               0
 H    1.19635630     -0.373296499       16.8520985               0
 C  -0.713985682     -0.317517847       15.8622303               0
 H   -1.28203416     -0.310484171       16.7984581               0
 H   -3.40600181     -0.295406610       15.5269680               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:  -2.41899788E-02 out: c-100-Gph-Perp|G_1.24_0.00_3.40.out                         
 H    3.60625219     -0.533391654       7.44886827               0
 C    3.04405856     -0.492984384       8.39010048               0
 H    1.17041159     -0.442161053       7.35071468               0
 C    1.64469945     -0.440759510       8.33909321               0
 H  -0.807018518     -0.392095506       7.30881691               0
 C   -1.32193995     -0.369386137       8.27616119               0
 H   -3.24719262     -0.372375816       7.30329514               0
 C   -2.72299218     -0.358205497       8.26799011               0
 H    4.80184031     -0.543769956       9.64349365               0
 C    3.70813489     -0.497712106       9.60311508               0
 C    2.97565842     -0.454279870       10.8158178               0
 C   0.868932128     -0.393806010       9.50204468               0
 C    1.53974056     -0.401671290       10.7665634               0
 C  -0.594980121     -0.358869702       9.47125721               0
 C   -1.32002497     -0.335399568       10.7050638               0
 C   -3.43883538     -0.333480537       9.44996738               0
 C   -2.75771546     -0.322875917       10.6928482               0
 H   -4.53436470     -0.331992805       9.44368362               0
 H    4.71787930     -0.524522066       12.0962238               0
 C    3.62414527     -0.468754202       12.0712261               0
 C    2.91610312     -0.436011136       13.2669964               0
 C   0.801684618     -0.360548079       11.9838352               0
 C    1.47867525     -0.374962330       13.2292862               0
 C  -0.634186506     -0.327654868       11.9531708               0
 C   -1.36406016     -0.308580041       13.1683578               0
 C   -3.45968032     -0.306638896       11.9188213               0
 C   -2.80289006     -0.301832587       13.1438961               0
 H   -4.55500126     -0.313961923       11.8966351               0
 H    4.66448069     -0.525476336       14.5681553               0
 C    3.57072997     -0.469134182       14.5447102               0
 C    2.85764217     -0.436717689       15.7071381               0
 C   0.742896736     -0.346917629       14.4492092               0
 C    1.42557061     -0.374371797       15.7013245               0
 C  -0.680656910     -0.312984943       14.4186630               0
 C   -1.41713142     -0.304132611       15.6402893               0
 C   -3.51252198     -0.298380941       14.3920307               0
 C   -2.84941030     -0.295592725       15.5841579               0
 H   -4.60760975     -0.301523298       14.3673897               0
 H    3.37158656     -0.467427284       16.6733704               0
 C   0.670464277     -0.352474779       16.8919468               0
 H    1.19635630     -0.373296499       17.8520985               0
 C  -0.713985682     -0.317517847       16.8622303               0
 H   -1.28203416     -0.310484171       17.7984581               0
 H   -3.40600181     -0.295406610       16.5269680               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:   1.60002994E-04 out: c-100-Gph-Perp|G_1.24_0.00_6.00.out                         
 H    3.60625219     -0.533391654       10.0488682               0
 C    3.04405856     -0.492984384       10.9900999               0
 H    1.17041159     -0.442161053       9.95071507               0
 C    1.64469945     -0.440759510       10.9390926               0
 H  -0.807018518     -0.392095506       9.90881729               0
 C   -1.32193995     -0.369386137       10.8761616               0
 H   -3.24719262     -0.372375816       9.90329552               0
 C   -2.72299218     -0.358205497       10.8679895               0
 H    4.80184031     -0.543769956       12.2434940               0
 C    3.70813489     -0.497712106       12.2031155               0
 C    2.97565842     -0.454279870       13.4158173               0
 C   0.868932128     -0.393806010       12.1020451               0
 C    1.53974056     -0.401671290       13.3665638               0
 C  -0.594980121     -0.358869702       12.0712566               0
 C   -1.32002497     -0.335399568       13.3050632               0
 C   -3.43883538     -0.333480537       12.0499668               0
 C   -2.75771546     -0.322875917       13.2928486               0
 H   -4.53436470     -0.331992805       12.0436831               0
 H    4.71787930     -0.524522066       14.6962242               0
 C    3.62414527     -0.468754202       14.6712265               0
 C    2.91610312     -0.436011136       15.8669958               0
 C   0.801684618     -0.360548079       14.5838356               0
 C    1.47867525     -0.374962330       15.8292856               0
 C  -0.634186506     -0.327654868       14.5531702               0
 C   -1.36406016     -0.308580041       15.7683582               0
 C   -3.45968032     -0.306638896       14.5188208               0
 C   -2.80289006     -0.301832587       15.7438965               0
 H   -4.55500126     -0.313961923       14.4966345               0
 H    4.66448069     -0.525476336       17.1681557               0
 C    3.57072997     -0.469134182       17.1447105               0
 C    2.85764217     -0.436717689       18.3071384               0
 C   0.742896736     -0.346917629       17.0492096               0
 C    1.42557061     -0.374371797       18.3013248               0
 C  -0.680656910     -0.312984943       17.0186634               0
 C   -1.41713142     -0.304132611       18.2402897               0
 C   -3.51252198     -0.298380941       16.9920311               0
 C   -2.84941030     -0.295592725       18.1841583               0
 H   -4.60760975     -0.301523298       16.9673901               0
 H    3.37158656     -0.467427284       19.2733707               0
 C   0.670464277     -0.352474779       19.4919472               0
 H    1.19635630     -0.373296499       20.4520988               0
 C  -0.713985682     -0.317517847       19.4622307               0
 H   -1.28203416     -0.310484171       20.3984585               0
 H   -3.40600181     -0.295406610       19.1269684               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.498264879     out: c-100-Gph-Perp|G_1.24_1.24_-0.10.out                        
 H    3.60625219      0.706608355       3.94886827               0
 C    3.04405856      0.747015595       4.89010000               0
 H    1.17041159      0.797838926       3.85071492               0
 C    1.64469945      0.799240470       4.83909321               0
 H  -0.807018518      0.847904503       3.80881715               0
 C   -1.32193995      0.870613873       4.77616119               0
 H   -3.24719262      0.867624164       3.80329537               0
 C   -2.72299218      0.881794512       4.76798964               0
 H    4.80184031      0.696230054       6.14349365               0
 C    3.70813489      0.742287874       6.10311508               0
 C    2.97565842      0.785720110       7.31581783               0
 C   0.868932128      0.846194029       6.00204468               0
 C    1.53974056      0.838328719       7.26656389               0
 C  -0.594980121      0.881130338       5.97125721               0
 C   -1.32002497      0.904600441       7.20506382               0
 C   -3.43883538      0.906519473       5.94996738               0
 C   -2.75771546      0.917124093       7.19284821               0
 H   -4.53436470      0.908007205       5.94368315               0
 H    4.71787930      0.715477943       8.59622383               0
 C    3.62414527      0.771245837       8.57122612               0
 C    2.91610312      0.803988874       9.76699543               0
 C   0.801684618      0.879451931       8.48383522               0
 C    1.47867525      0.865037680       9.72928524               0
 C  -0.634186506      0.912345171       8.45316982               0
 C   -1.36406016      0.931419969       9.66835785               0
 C   -3.45968032      0.933361113       8.41882038               0
 C   -2.80289006      0.938167453       9.64389610               0
 H   -4.55500126      0.926038086       8.39663410               0
 H    4.66448069      0.714523673       11.0681553               0
 C    3.57072997      0.770865798       11.0447092               0
 C    2.85764217      0.803282320       12.2071381               0
 C   0.742896736      0.893082380       10.9492092               0
 C    1.42557061      0.865628242       12.2013245               0
 C  -0.680656910      0.927015066       10.9186630               0
 C   -1.41713142      0.935867429       12.1402893               0
 C   -3.51252198      0.941619039       10.8920298               0
 C   -2.84941030      0.944407284       12.0841579               0
 H   -4.60760975      0.938476682       10.8673897               0
 H    3.37158656      0.772572756       13.1733704               0
 C   0.670464277      0.887525201       13.3919468               0
 H    1.19635630      0.866703510       14.3520985               0
 C  -0.713985682      0.922482133       13.3622293               0
 H   -1.28203416      0.929515839       14.2984581               0
 H   -3.40600181      0.944593430       13.0269670               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.498130172     out: c-100-Gph-Perp|G_1.24_1.24_-0.30.out                        
 H    3.60625219      0.706608355       3.74886823               0
 C    3.04405856      0.747015595       4.69009972               0
 H    1.17041159      0.797838926       3.65071487               0
 C    1.64469945      0.799240470       4.63909292               0
 H  -0.807018518      0.847904503       3.60881710               0
 C   -1.32193995      0.870613873       4.57616091               0
 H   -3.24719262      0.867624164       3.60329533               0
 C   -2.72299218      0.881794512       4.56798935               0
 H    4.80184031      0.696230054       5.94349337               0
 C    3.70813489      0.742287874       5.90311480               0
 C    2.97565842      0.785720110       7.11581755               0
 C   0.868932128      0.846194029       5.80204439               0
 C    1.53974056      0.838328719       7.06656361               0
 C  -0.594980121      0.881130338       5.77125692               0
 C   -1.32002497      0.904600441       7.00506353               0
 C   -3.43883538      0.906519473       5.74996710               0
 C   -2.75771546      0.917124093       6.99284792               0
 H   -4.53436470      0.908007205       5.74368286               0
 H    4.71787930      0.715477943       8.39622402               0
 C    3.62414527      0.771245837       8.37122631               0
 C    2.91610312      0.803988874       9.56699562               0
 C   0.801684618      0.879451931       8.28383541               0
 C    1.47867525      0.865037680       9.52928543               0
 C  -0.634186506      0.912345171       8.25317001               0
 C   -1.36406016      0.931419969       9.46835804               0
 C   -3.45968032      0.933361113       8.21882057               0
 C   -2.80289006      0.938167453       9.44389629               0
 H   -4.55500126      0.926038086       8.19663429               0
 H    4.66448069      0.714523673       10.8681555               0
 C    3.57072997      0.770865798       10.8447094               0
 C    2.85764217      0.803282320       12.0071383               0
 C   0.742896736      0.893082380       10.7492094               0
 C    1.42557061      0.865628242       12.0013247               0
 C  -0.680656910      0.927015066       10.7186632               0
 C   -1.41713142      0.935867429       11.9402895               0
 C   -3.51252198      0.941619039       10.6920300               0
 C   -2.84941030      0.944407284       11.8841581               0
 H   -4.60760975      0.938476682       10.6673899               0
 H    3.37158656      0.772572756       12.9733706               0
 C   0.670464277      0.887525201       13.1919470               0
 H    1.19635630      0.866703510       14.1520987               0
 C  -0.713985682      0.922482133       13.1622295               0
 H   -1.28203416      0.929515839       14.0984583               0
 H   -3.40600181      0.944593430       12.8269672               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.410331786     out: c-100-Gph-Perp|G_1.24_1.24_0.30.out                         
 H    3.60625219      0.706608355       4.34886837               0
 C    3.04405856      0.747015595       5.29010010               0
 H    1.17041159      0.797838926       4.25071478               0
 C    1.64469945      0.799240470       5.23909330               0
 H  -0.807018518      0.847904503       4.20881701               0
 C   -1.32193995      0.870613873       5.17616129               0
 H   -3.24719262      0.867624164       4.20329523               0
 C   -2.72299218      0.881794512       5.16798973               0
 H    4.80184031      0.696230054       6.54349375               0
 C    3.70813489      0.742287874       6.50311518               0
 C    2.97565842      0.785720110       7.71581793               0
 C   0.868932128      0.846194029       6.40204477               0
 C    1.53974056      0.838328719       7.66656399               0
 C  -0.594980121      0.881130338       6.37125731               0
 C   -1.32002497      0.904600441       7.60506392               0
 C   -3.43883538      0.906519473       6.34996748               0
 C   -2.75771546      0.917124093       7.59284830               0
 H   -4.53436470      0.908007205       6.34368324               0
 H    4.71787930      0.715477943       8.99622440               0
 C    3.62414527      0.771245837       8.97122669               0
 C    2.91610312      0.803988874       10.1669960               0
 C   0.801684618      0.879451931       8.88383579               0
 C    1.47867525      0.865037680       10.1292858               0
 C  -0.634186506      0.912345171       8.85317039               0
 C   -1.36406016      0.931419969       10.0683584               0
 C   -3.45968032      0.933361113       8.81882095               0
 C   -2.80289006      0.938167453       10.0438967               0
 H   -4.55500126      0.926038086       8.79663467               0
 H    4.66448069      0.714523673       11.4681559               0
 C    3.57072997      0.770865798       11.4447098               0
 C    2.85764217      0.803282320       12.6071386               0
 C   0.742896736      0.893082380       11.3492098               0
 C    1.42557061      0.865628242       12.6013250               0
 C  -0.680656910      0.927015066       11.3186636               0
 C   -1.41713142      0.935867429       12.5402899               0
 C   -3.51252198      0.941619039       11.2920303               0
 C   -2.84941030      0.944407284       12.4841585               0
 H   -4.60760975      0.938476682       11.2673903               0
 H    3.37158656      0.772572756       13.5733709               0
 C   0.670464277      0.887525201       13.7919474               0
 H    1.19635630      0.866703510       14.7520990               0
 C  -0.713985682      0.922482133       13.7622299               0
 H   -1.28203416      0.929515839       14.6984587               0
 H   -3.40600181      0.944593430       13.4269676               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.331559300     out: c-100-Gph-Perp|G_1.24_1.24_0.60.out                         
 H    3.60625219      0.706608355       4.64886808               0
 C    3.04405856      0.747015595       5.59009981               0
 H    1.17041159      0.797838926       4.55071497               0
 C    1.64469945      0.799240470       5.53909302               0
 H  -0.807018518      0.847904503       4.50881720               0
 C   -1.32193995      0.870613873       5.47616100               0
 H   -3.24719262      0.867624164       4.50329542               0
 C   -2.72299218      0.881794512       5.46798944               0
 H    4.80184031      0.696230054       6.84349346               0
 C    3.70813489      0.742287874       6.80311489               0
 C    2.97565842      0.785720110       8.01581764               0
 C   0.868932128      0.846194029       6.70204449               0
 C    1.53974056      0.838328719       7.96656370               0
 C  -0.594980121      0.881130338       6.67125702               0
 C   -1.32002497      0.904600441       7.90506363               0
 C   -3.43883538      0.906519473       6.64996719               0
 C   -2.75771546      0.917124093       7.89284801               0
 H   -4.53436470      0.908007205       6.64368296               0
 H    4.71787930      0.715477943       9.29622459               0
 C    3.62414527      0.771245837       9.27122688               0
 C    2.91610312      0.803988874       10.4669962               0
 C   0.801684618      0.879451931       9.18383598               0
 C    1.47867525      0.865037680       10.4292860               0
 C  -0.634186506      0.912345171       9.15317059               0
 C   -1.36406016      0.931419969       10.3683586               0
 C   -3.45968032      0.933361113       9.11882114               0
 C   -2.80289006      0.938167453       10.3438969               0
 H   -4.55500126      0.926038086       9.09663486               0
 H    4.66448069      0.714523673       11.7681561               0
 C    3.57072997      0.770865798       11.7447100               0
 C    2.85764217      0.803282320       12.9071388               0
 C   0.742896736      0.893082380       11.6492100               0
 C    1.42557061      0.865628242       12.9013252               0
 C  -0.680656910      0.927015066       11.6186638               0
 C   -1.41713142      0.935867429       12.8402901               0
 C   -3.51252198      0.941619039       11.5920305               0
 C   -2.84941030      0.944407284       12.7841587               0
 H   -4.60760975      0.938476682       11.5673904               0
 H    3.37158656      0.772572756       13.8733711               0
 C   0.670464277      0.887525201       14.0919476               0
 H    1.19635630      0.866703510       15.0520992               0
 C  -0.713985682      0.922482133       14.0622301               0
 H   -1.28203416      0.929515839       14.9984589               0
 H   -3.40600181      0.944593430       13.7269678               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.235221162     out: c-100-Gph-Perp|G_1.24_1.24_1.00.out                         
 H    3.60625219      0.706608355       5.04886818               0
 C    3.04405856      0.747015595       5.99009991               0
 H    1.17041159      0.797838926       4.95071507               0
 C    1.64469945      0.799240470       5.93909311               0
 H  -0.807018518      0.847904503       4.90881729               0
 C   -1.32193995      0.870613873       5.87616110               0
 H   -3.24719262      0.867624164       4.90329552               0
 C   -2.72299218      0.881794512       5.86798954               0
 H    4.80184031      0.696230054       7.24349356               0
 C    3.70813489      0.742287874       7.20311499               0
 C    2.97565842      0.785720110       8.41581726               0
 C   0.868932128      0.846194029       7.10204458               0
 C    1.53974056      0.838328719       8.36656380               0
 C  -0.594980121      0.881130338       7.07125711               0
 C   -1.32002497      0.904600441       8.30506325               0
 C   -3.43883538      0.906519473       7.04996729               0
 C   -2.75771546      0.917124093       8.29284859               0
 H   -4.53436470      0.908007205       7.04368305               0
 H    4.71787930      0.715477943       9.69622421               0
 C    3.62414527      0.771245837       9.67122650               0
 C    2.91610312      0.803988874       10.8669958               0
 C   0.801684618      0.879451931       9.58383560               0
 C    1.47867525      0.865037680       10.8292856               0
 C  -0.634186506      0.912345171       9.55317020               0
 C   -1.36406016      0.931419969       10.7683582               0
 C   -3.45968032      0.933361113       9.51882076               0
 C   -2.80289006      0.938167453       10.7438965               0
 H   -4.55500126      0.926038086       9.49663448               0
 H    4.66448069      0.714523673       12.1681557               0
 C    3.57072997      0.770865798       12.1447096               0
 C    2.85764217      0.803282320       13.3071384               0
 C   0.742896736      0.893082380       12.0492096               0
 C    1.42557061      0.865628242       13.3013248               0
 C  -0.680656910      0.927015066       12.0186634               0
 C   -1.41713142      0.935867429       13.2402897               0
 C   -3.51252198      0.941619039       11.9920301               0
 C   -2.84941030      0.944407284       13.1841583               0
 H   -4.60760975      0.938476682       11.9673901               0
 H    3.37158656      0.772572756       14.2733707               0
 C   0.670464277      0.887525201       14.4919472               0
 H    1.19635630      0.866703510       15.4520988               0
 C  -0.713985682      0.922482133       14.4622297               0
 H   -1.28203416      0.929515839       15.3984585               0
 H   -3.40600181      0.944593430       14.1269674               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead: -0.132976383     out: c-100-Gph-Perp|G_1.24_1.24_1.60.out                         
 H    3.60625219      0.706608355       5.64886808               0
 C    3.04405856      0.747015595       6.59009981               0
 H    1.17041159      0.797838926       5.55071497               0
 C    1.64469945      0.799240470       6.53909302               0
 H  -0.807018518      0.847904503       5.50881720               0
 C   -1.32193995      0.870613873       6.47616100               0
 H   -3.24719262      0.867624164       5.50329542               0
 C   -2.72299218      0.881794512       6.46798944               0
 H    4.80184031      0.696230054       7.84349346               0
 C    3.70813489      0.742287874       7.80311489               0
 C    2.97565842      0.785720110       9.01581764               0
 C   0.868932128      0.846194029       7.70204449               0
 C    1.53974056      0.838328719       8.96656418               0
 C  -0.594980121      0.881130338       7.67125702               0
 C   -1.32002497      0.904600441       8.90506363               0
 C   -3.43883538      0.906519473       7.64996719               0
 C   -2.75771546      0.917124093       8.89284801               0
 H   -4.53436470      0.908007205       7.64368296               0
 H    4.71787930      0.715477943       10.2962246               0
 C    3.62414527      0.771245837       10.2712269               0
 C    2.91610312      0.803988874       11.4669962               0
 C   0.801684618      0.879451931       10.1838360               0
 C    1.47867525      0.865037680       11.4292860               0
 C  -0.634186506      0.912345171       10.1531706               0
 C   -1.36406016      0.931419969       11.3683586               0
 C   -3.45968032      0.933361113       10.1188211               0
 C   -2.80289006      0.938167453       11.3438969               0
 H   -4.55500126      0.926038086       10.0966349               0
 H    4.66448069      0.714523673       12.7681561               0
 C    3.57072997      0.770865798       12.7447100               0
 C    2.85764217      0.803282320       13.9071388               0
 C   0.742896736      0.893082380       12.6492100               0
 C    1.42557061      0.865628242       13.9013252               0
 C  -0.680656910      0.927015066       12.6186638               0
 C   -1.41713142      0.935867429       13.8402901               0
 C   -3.51252198      0.941619039       12.5920305               0
 C   -2.84941030      0.944407284       13.7841587               0
 H   -4.60760975      0.938476682       12.5673904               0
 H    3.37158656      0.772572756       14.8733711               0
 C   0.670464277      0.887525201       15.0919476               0
 H    1.19635630      0.866703510       16.0520992               0
 C  -0.713985682      0.922482133       15.0622301               0
 H   -1.28203416      0.929515839       15.9984589               0
 H   -3.40600181      0.944593430       14.7269678               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:  -6.11069985E-02 out: c-100-Gph-Perp|G_1.24_1.24_2.40.out                         
 H    3.60625219      0.706608355       6.44886827               0
 C    3.04405856      0.747015595       7.39010000               0
 H    1.17041159      0.797838926       6.35071468               0
 C    1.64469945      0.799240470       7.33909321               0
 H  -0.807018518      0.847904503       6.30881691               0
 C   -1.32193995      0.870613873       7.27616119               0
 H   -3.24719262      0.867624164       6.30329514               0
 C   -2.72299218      0.881794512       7.26798964               0
 H    4.80184031      0.696230054       8.64349365               0
 C    3.70813489      0.742287874       8.60311508               0
 C    2.97565842      0.785720110       9.81581783               0
 C   0.868932128      0.846194029       8.50204468               0
 C    1.53974056      0.838328719       9.76656342               0
 C  -0.594980121      0.881130338       8.47125721               0
 C   -1.32002497      0.904600441       9.70506382               0
 C   -3.43883538      0.906519473       8.44996738               0
 C   -2.75771546      0.917124093       9.69284821               0
 H   -4.53436470      0.908007205       8.44368362               0
 H    4.71787930      0.715477943       11.0962238               0
 C    3.62414527      0.771245837       11.0712261               0
 C    2.91610312      0.803988874       12.2669964               0
 C   0.801684618      0.879451931       10.9838352               0
 C    1.47867525      0.865037680       12.2292862               0
 C  -0.634186506      0.912345171       10.9531708               0
 C   -1.36406016      0.931419969       12.1683578               0
 C   -3.45968032      0.933361113       10.9188213               0
 C   -2.80289006      0.938167453       12.1438961               0
 H   -4.55500126      0.926038086       10.8966351               0
 H    4.66448069      0.714523673       13.5681553               0
 C    3.57072997      0.770865798       13.5447102               0
 C    2.85764217      0.803282320       14.7071381               0
 C   0.742896736      0.893082380       13.4492092               0
 C    1.42557061      0.865628242       14.7013245               0
 C  -0.680656910      0.927015066       13.4186630               0
 C   -1.41713142      0.935867429       14.6402893               0
 C   -3.51252198      0.941619039       13.3920307               0
 C   -2.84941030      0.944407284       14.5841579               0
 H   -4.60760975      0.938476682       13.3673897               0
 H    3.37158656      0.772572756       15.6733704               0
 C   0.670464277      0.887525201       15.8919468               0
 H    1.19635630      0.866703510       16.8520985               0
 C  -0.713985682      0.922482133       15.8622303               0
 H   -1.28203416      0.929515839       16.7984581               0
 H   -3.40600181      0.944593430       15.5269680               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:  -2.25045048E-02 out: c-100-Gph-Perp|G_1.24_1.24_3.40.out                         
 H    3.60625219      0.706608355       7.44886827               0
 C    3.04405856      0.747015595       8.39010048               0
 H    1.17041159      0.797838926       7.35071468               0
 C    1.64469945      0.799240470       8.33909321               0
 H  -0.807018518      0.847904503       7.30881691               0
 C   -1.32193995      0.870613873       8.27616119               0
 H   -3.24719262      0.867624164       7.30329514               0
 C   -2.72299218      0.881794512       8.26799011               0
 H    4.80184031      0.696230054       9.64349365               0
 C    3.70813489      0.742287874       9.60311508               0
 C    2.97565842      0.785720110       10.8158178               0
 C   0.868932128      0.846194029       9.50204468               0
 C    1.53974056      0.838328719       10.7665634               0
 C  -0.594980121      0.881130338       9.47125721               0
 C   -1.32002497      0.904600441       10.7050638               0
 C   -3.43883538      0.906519473       9.44996738               0
 C   -2.75771546      0.917124093       10.6928482               0
 H   -4.53436470      0.908007205       9.44368362               0
 H    4.71787930      0.715477943       12.0962238               0
 C    3.62414527      0.771245837       12.0712261               0
 C    2.91610312      0.803988874       13.2669964               0
 C   0.801684618      0.879451931       11.9838352               0
 C    1.47867525      0.865037680       13.2292862               0
 C  -0.634186506      0.912345171       11.9531708               0
 C   -1.36406016      0.931419969       13.1683578               0
 C   -3.45968032      0.933361113       11.9188213               0
 C   -2.80289006      0.938167453       13.1438961               0
 H   -4.55500126      0.926038086       11.8966351               0
 H    4.66448069      0.714523673       14.5681553               0
 C    3.57072997      0.770865798       14.5447102               0
 C    2.85764217      0.803282320       15.7071381               0
 C   0.742896736      0.893082380       14.4492092               0
 C    1.42557061      0.865628242       15.7013245               0
 C  -0.680656910      0.927015066       14.4186630               0
 C   -1.41713142      0.935867429       15.6402893               0
 C   -3.51252198      0.941619039       14.3920307               0
 C   -2.84941030      0.944407284       15.5841579               0
 H   -4.60760975      0.938476682       14.3673897               0
 H    3.37158656      0.772572756       16.6733704               0
 C   0.670464277      0.887525201       16.8919468               0
 H    1.19635630      0.866703510       17.8520985               0
 C  -0.713985682      0.922482133       16.8622303               0
 H   -1.28203416      0.929515839       17.7984581               0
 H   -3.40600181      0.944593430       16.5269680               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
          94
 Ead:   6.79060002E-04 out: c-100-Gph-Perp|G_1.24_1.24_6.00.out                         
 H    3.60625219      0.706608355       10.0488682               0
 C    3.04405856      0.747015595       10.9900999               0
 H    1.17041159      0.797838926       9.95071507               0
 C    1.64469945      0.799240470       10.9390926               0
 H  -0.807018518      0.847904503       9.90881729               0
 C   -1.32193995      0.870613873       10.8761616               0
 H   -3.24719262      0.867624164       9.90329552               0
 C   -2.72299218      0.881794512       10.8679895               0
 H    4.80184031      0.696230054       12.2434940               0
 C    3.70813489      0.742287874       12.2031155               0
 C    2.97565842      0.785720110       13.4158173               0
 C   0.868932128      0.846194029       12.1020451               0
 C    1.53974056      0.838328719       13.3665638               0
 C  -0.594980121      0.881130338       12.0712566               0
 C   -1.32002497      0.904600441       13.3050632               0
 C   -3.43883538      0.906519473       12.0499668               0
 C   -2.75771546      0.917124093       13.2928486               0
 H   -4.53436470      0.908007205       12.0436831               0
 H    4.71787930      0.715477943       14.6962242               0
 C    3.62414527      0.771245837       14.6712265               0
 C    2.91610312      0.803988874       15.8669958               0
 C   0.801684618      0.879451931       14.5838356               0
 C    1.47867525      0.865037680       15.8292856               0
 C  -0.634186506      0.912345171       14.5531702               0
 C   -1.36406016      0.931419969       15.7683582               0
 C   -3.45968032      0.933361113       14.5188208               0
 C   -2.80289006      0.938167453       15.7438965               0
 H   -4.55500126      0.926038086       14.4966345               0
 H    4.66448069      0.714523673       17.1681557               0
 C    3.57072997      0.770865798       17.1447105               0
 C    2.85764217      0.803282320       18.3071384               0
 C   0.742896736      0.893082380       17.0492096               0
 C    1.42557061      0.865628242       18.3013248               0
 C  -0.680656910      0.927015066       17.0186634               0
 C   -1.41713142      0.935867429       18.2402897               0
 C   -3.51252198      0.941619039       16.9920311               0
 C   -2.84941030      0.944407284       18.1841583               0
 H   -4.60760975      0.938476682       16.9673901               0
 H    3.37158656      0.772572756       19.2733707               0
 C   0.670464277      0.887525201       19.4919472               0
 H    1.19635630      0.866703510       20.4520988               0
 C  -0.713985682      0.922482133       19.4622307               0
 H   -1.28203416      0.929515839       20.3984585               0
 H   -3.40600181      0.944593430       19.1269684               0
 Cu   1.39159095      -2.76593471       1.22250116               6
 Cu  -1.05775154      -2.79990602       1.30234075               7
 Cu  -3.50863814      -2.77492738       1.26262689               6
 Cu   1.41868520     -0.319232911       1.26871061               7
 Cu  -1.06101930     -0.324124008       1.32929492               8
 Cu  -3.54294372     -0.327949286       1.30072474               7
 Cu   1.38177526       2.12750173       1.21262121               6
 Cu  -1.06779909       2.15120864       1.28984952               7
 Cu  -3.51843119       2.11881042       1.25124383               6
 Cu   2.59019923      -3.98285532     -0.528519988               7
 Cu  0.138106942      -4.05923367     -0.507969975               9
 Cu  -2.27851009      -4.06405258     -0.487430006               9
 Cu  -4.73163319      -3.99614954     -0.466899991               7
 Cu   2.66195631      -1.53032732     -0.534309983               9
 Cu  0.160860941      -1.56128347     -0.513779998              12
 Cu  -2.30958891      -1.56625319     -0.493239999              12
 Cu  -4.81301832      -1.54418623     -0.472710013               9
 Cu   2.65676498      0.887090623     -0.540109992               9
 Cu  0.156014591      0.910562038     -0.519580007              12
 Cu  -2.31404781      0.906551003     -0.499040008              12
 Cu  -4.81795835      0.874851942     -0.478509992               9
 Cu   2.57523012       3.33789921     -0.545920014               7
 Cu  0.123534836       3.40740705     -0.525380015               9
 Cu  -2.29321885       3.40451312     -0.504840016               9
 Cu  -4.74587202       3.32653832     -0.484320015               7
 Cu   3.69317198      -5.10180998      -2.34118438               3
 Cu   1.31403065      -5.20434713      -2.29020286               5
 Cu  -1.08356106      -5.18203497      -2.31538963               5
 Cu  -3.48015547      -5.21191549      -2.24952650               5
 Cu  -5.86029243      -5.11907101      -2.26102376               3
 Cu   3.78889656      -2.72186637      -2.31747675               5
 Cu   1.35092449      -2.76716685      -2.40271664               8
 Cu  -1.08819079      -2.76239157      -2.38785338               8
 Cu  -3.52773261      -2.77495408      -2.36209559               8
 Cu  -5.96441317      -2.73966169      -2.23648143               5
 Cu   3.75912642     -0.324268579      -2.36610317               5
 Cu   1.33839571     -0.328781754      -2.40928483               8
 Cu  -1.09183955     -0.331180602      -2.32530141               8
 Cu  -3.52313471     -0.336419046      -2.36911464               8
 Cu  -5.94285393     -0.341665596      -2.28633261               5
 Cu   3.77986240       2.07274866      -2.32913017               5
 Cu   1.34124446       2.11002159      -2.41597652               8
 Cu  -1.09816134       2.09887195      -2.39830947               8
 Cu  -3.53776407       2.10215521      -2.37417078               8
 Cu  -5.97461939       2.05597377      -2.24841833               5
 Cu   3.67476320       4.45112085      -2.36392117               3
 Cu   1.29541171       4.54736185      -2.31350541               5
 Cu  -1.10198700       4.51796722      -2.33690333               5
 Cu  -3.49907136       4.53939152      -2.27324748               5
 Cu  -5.87888670       4.43475056      -2.28453255               3
         160
 Ead: -0.722012103     out: d-111-Gph-Perp|G_0.00_0.00_-0.10.out                        
 H    4.73376656      -2.64110065       11.8045359               0
 C    4.26808023      -2.36525822       10.8535137               0
 H    2.61521316      -1.40794289       11.8257723               0
 C    3.05714726      -1.65887189       10.8592205               0
 H   0.926765501     -0.427463919       11.8076124               0
 C   0.498220563     -0.169435024       10.8368835               0
 H   -1.15298319      0.782891929       11.7770729               0
 C  -0.695944369      0.525454819       10.8194294               0
 H   -2.83843255       1.76777864       11.7464523               0
 C   -3.25417733       2.01522064       10.7676563               0
 H   -4.95473909       3.00244617       11.6637115               0
 C   -4.46537828       2.72037315       10.7263498               0
 H    5.81826735      -3.26425028       9.64931202               0
 C    4.87265587      -2.71168494       9.66058064               0
 C    4.27490807      -2.35122323       8.42612553               0
 C    2.41810656      -1.27637529       9.66976166               0
 C    3.03279185      -1.62222135       8.42964458               0
 C    1.15836036     -0.541858256       9.65301514               0
 C   0.559099853     -0.178043827       8.41149521               0
 C   -1.32046628      0.899722219       9.61693764               0
 C  -0.681430876      0.542731404       8.39350128               0
 C   -2.58152223       1.63208163       9.59691238               0
 C   -3.15955400       1.97806168       8.33944416               0
 C   -5.03924608       3.05927753       9.51663876               0
 C   -4.40597200       2.69919062       8.29969120               0
 H   -5.98536873       3.61008501       9.47802353               0
 H    5.81683683      -3.24747443       7.21050835               0
 C    4.87407446      -2.68893790       7.20159101               0
 C    4.30101490      -2.33125401       5.97475100               0
 C    2.43128276      -1.25208366       7.19296026               0
 C    3.05874181      -1.60051215       5.96765947               0
 C    1.19404352     -0.529601336       7.17850256               0
 C   0.600046754     -0.167008817       5.94169140               0
 C   -1.27499855      0.903105378       7.14258480               0
 C  -0.639480174      0.551025629       5.92363310               0
 C   -2.51567006       1.61989439       7.12063408               0
 C   -3.10332775       1.97427857       5.87753105               0
 C   -4.96994400       3.03531218       7.05825377               0
 C   -4.35219669       2.69362307       5.84838343               0
 H   -5.91975212       3.58173585       7.03957748               0
 H    5.85299253      -3.22635865       4.76158714               0
 C    4.90951395      -2.67053795       4.74485302               0
 C    4.33885574      -2.32814312       3.52419686               0
 C    2.46526718      -1.24044204       4.72994995               0
 C    3.09384465      -1.60624874       3.50775719               0
 C    1.22917247     -0.521829307       4.71123457               0
 C   0.627990842     -0.178702146       3.47061777               0
 C   -1.23321438      0.903862298       4.67500353               0
 C  -0.609381020      0.537939787       3.45242643               0
 C   -2.47070932       1.62071705       4.65732479               0
 C   -3.06992841       1.97355819       3.41674781               0
 C   -4.92189455       3.03627801       4.60120583               0
 C   -4.31469488       2.69621205       3.39736247               0
 H   -5.87141228       3.58201551       4.59025621               0
 H    5.90620756      -3.22141385       2.30255437               0
 C    4.95135736      -2.68584633       2.27817369               0
 C    4.35533905      -2.37781954       1.08989179               0
 C    2.48470926      -1.27872860       2.26913643               0
 C    3.10612392      -1.68347442       1.04876089               0
 C    1.24561894     -0.565163076       2.24295282               0
 C   0.626543343     -0.262825787      0.994513154               0
 C   -1.21849716      0.875767827       2.20582032               0
 C  -0.616025627      0.483450681      0.974751949               0
 C   -2.45002604       1.60368371       2.19550943               0
 C   -3.06817555       1.95052433      0.955355644               0
 C   -4.89816666       3.03994322       2.13398862               0
 C   -4.29806614       2.68094420      0.962514877               0
 H   -5.84214211       3.59538984       2.13122725               0
 H    4.82052326      -2.66038847      0.139473110               0
 C    2.45142984      -1.39951193     -0.161639184               0
 H    2.90045047      -1.73609173      -1.10633528               0
 C    1.25077033     -0.717772543     -0.186318606               0
 H   0.785401106     -0.542142093      -1.16260386               0
 C   -1.26027071      0.840870738     -0.229070067               0
 H  -0.825332463      0.558341980      -1.19456756               0
 C   -2.44508123       1.55245697     -0.239613801               0
 H   -2.90660095       1.80596530      -1.20340657               0
 H   -4.75008869       2.94231439      -1.15782022E-04           0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.678232193     out: d-111-Gph-Perp|G_0.00_0.00_0.30.out                         
 H    4.73376656      -2.64110065       12.2045364               0
 C    4.26808023      -2.36525822       11.2535143               0
 H    2.61521316      -1.40794289       12.2257729               0
 C    3.05714726      -1.65887189       11.2592211               0
 H   0.926765501     -0.427463919       12.2076130               0
 C   0.498220563     -0.169435024       11.2368841               0
 H   -1.15298319      0.782891929       12.1770735               0
 C  -0.695944369      0.525454819       11.2194300               0
 H   -2.83843255       1.76777864       12.1464529               0
 C   -3.25417733       2.01522064       11.1676569               0
 H   -4.95473909       3.00244617       12.0637121               0
 C   -4.46537828       2.72037315       11.1263504               0
 H    5.81826735      -3.26425028       10.0493126               0
 C    4.87265587      -2.71168494       10.0605812               0
 C    4.27490807      -2.35122323       8.82612610               0
 C    2.41810656      -1.27637529       10.0697622               0
 C    3.03279185      -1.62222135       8.82964516               0
 C    1.15836036     -0.541858256       10.0530157               0
 C   0.559099853     -0.178043827       8.81149578               0
 C   -1.32046628      0.899722219       10.0169382               0
 C  -0.681430876      0.542731404       8.79350185               0
 C   -2.58152223       1.63208163       9.99691296               0
 C   -3.15955400       1.97806168       8.73944473               0
 C   -5.03924608       3.05927753       9.91663933               0
 C   -4.40597200       2.69919062       8.69969177               0
 H   -5.98536873       3.61008501       9.87802410               0
 H    5.81683683      -3.24747443       7.61050844               0
 C    4.87407446      -2.68893790       7.60159111               0
 C    4.30101490      -2.33125401       6.37475109               0
 C    2.43128276      -1.25208366       7.59296036               0
 C    3.05874181      -1.60051215       6.36765957               0
 C    1.19404352     -0.529601336       7.57850266               0
 C   0.600046754     -0.167008817       6.34169149               0
 C   -1.27499855      0.903105378       7.54258490               0
 C  -0.639480174      0.551025629       6.32363319               0
 C   -2.51567006       1.61989439       7.52063417               0
 C   -3.10332775       1.97427857       6.27753115               0
 C   -4.96994400       3.03531218       7.45825386               0
 C   -4.35219669       2.69362307       6.24838352               0
 H   -5.91975212       3.58173585       7.43957758               0
 H    5.85299253      -3.22635865       5.16158724               0
 C    4.90951395      -2.67053795       5.14485312               0
 C    4.33885574      -2.32814312       3.92419672               0
 C    2.46526718      -1.24044204       5.12995005               0
 C    3.09384465      -1.60624874       3.90775704               0
 C    1.22917247     -0.521829307       5.11123466               0
 C   0.627990842     -0.178702146       3.87061763               0
 C   -1.23321438      0.903862298       5.07500362               0
 C  -0.609381020      0.537939787       3.85242629               0
 C   -2.47070932       1.62071705       5.05732489               0
 C   -3.06992841       1.97355819       3.81674767               0
 C   -4.92189455       3.03627801       5.00120592               0
 C   -4.31469488       2.69621205       3.79736233               0
 H   -5.87141228       3.58201551       4.99025631               0
 H    5.90620756      -3.22141385       2.70255423               0
 C    4.95135736      -2.68584633       2.67817354               0
 C    4.35533905      -2.37781954       1.48989177               0
 C    2.48470926      -1.27872860       2.66913629               0
 C    3.10612392      -1.68347442       1.44876099               0
 C    1.24561894     -0.565163076       2.64295268               0
 C   0.626543343     -0.262825787       1.39451313               0
 C   -1.21849716      0.875767827       2.60582018               0
 C  -0.616025627      0.483450681       1.37475204               0
 C   -2.45002604       1.60368371       2.59550929               0
 C   -3.06817555       1.95052433       1.35535574               0
 C   -4.89816666       3.03994322       2.53398848               0
 C   -4.29806614       2.68094420       1.36251497               0
 H   -5.84214211       3.59538984       2.53122711               0
 H    4.82052326      -2.66038847      0.539473116               0
 C    2.45142984      -1.39951193      0.238360837               0
 H    2.90045047      -1.73609173     -0.706335247               0
 C    1.25077033     -0.717772543      0.213681400               0
 H   0.785401106     -0.542142093     -0.762603819               0
 C   -1.26027071      0.840870738      0.170929939               0
 H  -0.825332463      0.558341980     -0.794567525               0
 C   -2.44508123       1.55245697      0.160386220               0
 H   -2.90660095       1.80596530     -0.803406537               0
 H   -4.75008869       2.94231439      0.399884224               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.568158329     out: d-111-Gph-Perp|G_0.00_0.00_0.60.out                         
 H    4.73376656      -2.64110065       12.5045366               0
 C    4.26808023      -2.36525822       11.5535145               0
 H    2.61521316      -1.40794289       12.5257730               0
 C    3.05714726      -1.65887189       11.5592213               0
 H   0.926765501     -0.427463919       12.5076132               0
 C   0.498220563     -0.169435024       11.5368843               0
 H   -1.15298319      0.782891929       12.4770737               0
 C  -0.695944369      0.525454819       11.5194302               0
 H   -2.83843255       1.76777864       12.4464531               0
 C   -3.25417733       2.01522064       11.4676571               0
 H   -4.95473909       3.00244617       12.3637123               0
 C   -4.46537828       2.72037315       11.4263506               0
 H    5.81826735      -3.26425028       10.3493128               0
 C    4.87265587      -2.71168494       10.3605814               0
 C    4.27490807      -2.35122323       9.12612629               0
 C    2.41810656      -1.27637529       10.3697624               0
 C    3.03279185      -1.62222135       9.12964535               0
 C    1.15836036     -0.541858256       10.3530159               0
 C   0.559099853     -0.178043827       9.11149597               0
 C   -1.32046628      0.899722219       10.3169384               0
 C  -0.681430876      0.542731404       9.09350204               0
 C   -2.58152223       1.63208163       10.2969131               0
 C   -3.15955400       1.97806168       9.03944492               0
 C   -5.03924608       3.05927753       10.2166395               0
 C   -4.40597200       2.69919062       8.99969196               0
 H   -5.98536873       3.61008501       10.1780243               0
 H    5.81683683      -3.24747443       7.91050816               0
 C    4.87407446      -2.68893790       7.90159082               0
 C    4.30101490      -2.33125401       6.67475080               0
 C    2.43128276      -1.25208366       7.89296007               0
 C    3.05874181      -1.60051215       6.66765928               0
 C    1.19404352     -0.529601336       7.87850237               0
 C   0.600046754     -0.167008817       6.64169121               0
 C   -1.27499855      0.903105378       7.84258461               0
 C  -0.639480174      0.551025629       6.62363291               0
 C   -2.51567006       1.61989439       7.82063389               0
 C   -3.10332775       1.97427857       6.57753086               0
 C   -4.96994400       3.03531218       7.75825357               0
 C   -4.35219669       2.69362307       6.54838324               0
 H   -5.91975212       3.58173585       7.73957729               0
 H    5.85299253      -3.22635865       5.46158695               0
 C    4.90951395      -2.67053795       5.44485283               0
 C    4.33885574      -2.32814312       4.22419691               0
 C    2.46526718      -1.24044204       5.42994976               0
 C    3.09384465      -1.60624874       4.20775700               0
 C    1.22917247     -0.521829307       5.41123438               0
 C   0.627990842     -0.178702146       4.17061758               0
 C   -1.23321438      0.903862298       5.37500334               0
 C  -0.609381020      0.537939787       4.15242624               0
 C   -2.47070932       1.62071705       5.35732460               0
 C   -3.06992841       1.97355819       4.11674786               0
 C   -4.92189455       3.03627801       5.30120564               0
 C   -4.31469488       2.69621205       4.09736252               0
 H   -5.87141228       3.58201551       5.29025602               0
 H    5.90620756      -3.22141385       3.00255442               0
 C    4.95135736      -2.68584633       2.97817373               0
 C    4.35533905      -2.37781954       1.78989184               0
 C    2.48470926      -1.27872860       2.96913624               0
 C    3.10612392      -1.68347442       1.74876094               0
 C    1.24561894     -0.565163076       2.94295263               0
 C   0.626543343     -0.262825787       1.69451320               0
 C   -1.21849716      0.875767827       2.90582037               0
 C  -0.616025627      0.483450681       1.67475200               0
 C   -2.45002604       1.60368371       2.89550924               0
 C   -3.06817555       1.95052433       1.65535569               0
 C   -4.89816666       3.03994322       2.83398867               0
 C   -4.29806614       2.68094420       1.66251493               0
 H   -5.84214211       3.59538984       2.83122730               0
 H    4.82052326      -2.66038847      0.839473128               0
 C    2.45142984      -1.39951193      0.538360834               0
 H    2.90045047      -1.73609173     -0.406335235               0
 C    1.25077033     -0.717772543      0.513681412               0
 H   0.785401106     -0.542142093     -0.462603807               0
 C   -1.26027071      0.840870738      0.470929950               0
 H  -0.825332463      0.558341980     -0.494567513               0
 C   -2.44508123       1.55245697      0.460386217               0
 H   -2.90660095       1.80596530     -0.503406525               0
 H   -4.75008869       2.94231439      0.699884236               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.417936713     out: d-111-Gph-Perp|G_0.00_0.00_1.00.out                         
 H    4.73376656      -2.64110065       12.9045362               0
 C    4.26808023      -2.36525822       11.9535141               0
 H    2.61521316      -1.40794289       12.9257727               0
 C    3.05714726      -1.65887189       11.9592209               0
 H   0.926765501     -0.427463919       12.9076128               0
 C   0.498220563     -0.169435024       11.9368839               0
 H   -1.15298319      0.782891929       12.8770733               0
 C  -0.695944369      0.525454819       11.9194298               0
 H   -2.83843255       1.76777864       12.8464527               0
 C   -3.25417733       2.01522064       11.8676567               0
 H   -4.95473909       3.00244617       12.7637119               0
 C   -4.46537828       2.72037315       11.8263502               0
 H    5.81826735      -3.26425028       10.7493124               0
 C    4.87265587      -2.71168494       10.7605810               0
 C    4.27490807      -2.35122323       9.52612591               0
 C    2.41810656      -1.27637529       10.7697620               0
 C    3.03279185      -1.62222135       9.52964497               0
 C    1.15836036     -0.541858256       10.7530155               0
 C   0.559099853     -0.178043827       9.51149559               0
 C   -1.32046628      0.899722219       10.7169380               0
 C  -0.681430876      0.542731404       9.49350166               0
 C   -2.58152223       1.63208163       10.6969128               0
 C   -3.15955400       1.97806168       9.43944454               0
 C   -5.03924608       3.05927753       10.6166391               0
 C   -4.40597200       2.69919062       9.39969158               0
 H   -5.98536873       3.61008501       10.5780239               0
 H    5.81683683      -3.24747443       8.31050873               0
 C    4.87407446      -2.68893790       8.30159092               0
 C    4.30101490      -2.33125401       7.07475090               0
 C    2.43128276      -1.25208366       8.29296017               0
 C    3.05874181      -1.60051215       7.06765938               0
 C    1.19404352     -0.529601336       8.27850246               0
 C   0.600046754     -0.167008817       7.04169130               0
 C   -1.27499855      0.903105378       8.24258423               0
 C  -0.639480174      0.551025629       7.02363300               0
 C   -2.51567006       1.61989439       8.22063446               0
 C   -3.10332775       1.97427857       6.97753096               0
 C   -4.96994400       3.03531218       8.15825367               0
 C   -4.35219669       2.69362307       6.94838333               0
 H   -5.91975212       3.58173585       8.13957787               0
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 C    4.33885574      -2.32814312       4.62419701               0
 C    2.46526718      -1.24044204       5.82994986               0
 C    3.09384465      -1.60624874       4.60775709               0
 C    1.22917247     -0.521829307       5.81123447               0
 C   0.627990842     -0.178702146       4.57061768               0
 C   -1.23321438      0.903862298       5.77500343               0
 C  -0.609381020      0.537939787       4.55242634               0
 C   -2.47070932       1.62071705       5.75732470               0
 C   -3.06992841       1.97355819       4.51674747               0
 C   -4.92189455       3.03627801       5.70120573               0
 C   -4.31469488       2.69621205       4.49736214               0
 H   -5.87141228       3.58201551       5.69025612               0
 H    5.90620756      -3.22141385       3.40255427               0
 C    4.95135736      -2.68584633       3.37817359               0
 C    4.35533905      -2.37781954       2.18989182               0
 C    2.48470926      -1.27872860       3.36913633               0
 C    3.10612392      -1.68347442       2.14876080               0
 C    1.24561894     -0.565163076       3.34295273               0
 C   0.626543343     -0.262825787       2.09451318               0
 C   -1.21849716      0.875767827       3.30582023               0
 C  -0.616025627      0.483450681       2.07475185               0
 C   -2.45002604       1.60368371       3.29550934               0
 C   -3.06817555       1.95052433       2.05535555               0
 C   -4.89816666       3.03994322       3.23398852               0
 C   -4.29806614       2.68094420       2.06251478               0
 H   -5.84214211       3.59538984       3.23122716               0
 H    4.82052326      -2.66038847       1.23947310               0
 C    2.45142984      -1.39951193      0.938360810               0
 H    2.90045047      -1.73609173      -6.33525848E-03           0
 C    1.25077033     -0.717772543      0.913681388               0
 H   0.785401106     -0.542142093      -6.26038313E-02           0
 C   -1.26027071      0.840870738      0.870929956               0
 H  -0.825332463      0.558341980      -9.45675373E-02           0
 C   -2.44508123       1.55245697      0.860386193               0
 H   -2.90660095       1.80596530     -0.103406549               0
 H   -4.75008869       2.94231439       1.09988427               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.246162996     out: d-111-Gph-Perp|G_0.00_0.00_1.60.out                         
 H    4.73376656      -2.64110065       13.5045366               0
 C    4.26808023      -2.36525822       12.5535145               0
 H    2.61521316      -1.40794289       13.5257730               0
 C    3.05714726      -1.65887189       12.5592213               0
 H   0.926765501     -0.427463919       13.5076132               0
 C   0.498220563     -0.169435024       12.5368843               0
 H   -1.15298319      0.782891929       13.4770737               0
 C  -0.695944369      0.525454819       12.5194302               0
 H   -2.83843255       1.76777864       13.4464531               0
 C   -3.25417733       2.01522064       12.4676571               0
 H   -4.95473909       3.00244617       13.3637123               0
 C   -4.46537828       2.72037315       12.4263506               0
 H    5.81826735      -3.26425028       11.3493128               0
 C    4.87265587      -2.71168494       11.3605814               0
 C    4.27490807      -2.35122323       10.1261263               0
 C    2.41810656      -1.27637529       11.3697624               0
 C    3.03279185      -1.62222135       10.1296453               0
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 C   -1.32046628      0.899722219       11.3169384               0
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 C   -2.58152223       1.63208163       11.2969131               0
 C   -3.15955400       1.97806168       10.0394449               0
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 C   -2.51567006       1.61989439       8.82063389               0
 C   -3.10332775       1.97427857       7.57753086               0
 C   -4.96994400       3.03531218       8.75825405               0
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 C    2.46526718      -1.24044204       6.42994976               0
 C    3.09384465      -1.60624874       5.20775700               0
 C    1.22917247     -0.521829307       6.41123438               0
 C   0.627990842     -0.178702146       5.17061758               0
 C   -1.23321438      0.903862298       6.37500334               0
 C  -0.609381020      0.537939787       5.15242624               0
 C   -2.47070932       1.62071705       6.35732460               0
 C   -3.06992841       1.97355819       5.11674786               0
 C   -4.92189455       3.03627801       6.30120564               0
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 C    4.35533905      -2.37781954       2.78989172               0
 C    2.48470926      -1.27872860       3.96913624               0
 C    3.10612392      -1.68347442       2.74876094               0
 C    1.24561894     -0.565163076       3.94295263               0
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 C   -3.06817555       1.95052433       2.65535569               0
 C   -4.89816666       3.03994322       3.83398867               0
 C   -4.29806614       2.68094420       2.66251493               0
 H   -5.84214211       3.59538984       3.83122730               0
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 H    2.90045047      -1.73609173      0.593664765               0
 C    1.25077033     -0.717772543       1.51368141               0
 H   0.785401106     -0.542142093      0.537396193               0
 C   -1.26027071      0.840870738       1.47092998               0
 H  -0.825332463      0.558341980      0.505432487               0
 C   -2.44508123       1.55245697       1.46038628               0
 H   -2.90660095       1.80596530      0.496593475               0
 H   -4.75008869       2.94231439       1.69988430               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.119980216     out: d-111-Gph-Perp|G_0.00_0.00_2.40.out                         
 H    4.73376656      -2.64110065       14.3045368               0
 C    4.26808023      -2.36525822       13.3535137               0
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 H   0.926765501     -0.427463919       14.3076134               0
 C   0.498220563     -0.169435024       13.3368835               0
 H   -1.15298319      0.782891929       14.2770729               0
 C  -0.695944369      0.525454819       13.3194294               0
 H   -2.83843255       1.76777864       14.2464523               0
 C   -3.25417733       2.01522064       13.2676563               0
 H   -4.95473909       3.00244617       14.1637115               0
 C   -4.46537828       2.72037315       13.2263508               0
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 C    4.27490807      -2.35122323       10.9261265               0
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 H   -5.98536873       3.61008501       11.9780235               0
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 C    4.30101490      -2.33125401       8.47475052               0
 C    2.43128276      -1.25208366       9.69296074               0
 C    3.05874181      -1.60051215       8.46765900               0
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 C   -2.51567006       1.61989439       9.62063408               0
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 C   -4.96994400       3.03531218       9.55825424               0
 C   -4.35219669       2.69362307       8.34838295               0
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 C    4.33885574      -2.32814312       6.02419662               0
 C    2.46526718      -1.24044204       7.22994995               0
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 C    1.22917247     -0.521829307       7.21123457               0
 C   0.627990842     -0.178702146       5.97061777               0
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 C  -0.609381020      0.537939787       5.95242643               0
 C   -2.47070932       1.62071705       7.15732479               0
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 C   -4.92189455       3.03627801       7.10120583               0
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 H    5.90620756      -3.22141385       4.80255413               0
 C    4.95135736      -2.68584633       4.77817345               0
 C    4.35533905      -2.37781954       3.58989191               0
 C    2.48470926      -1.27872860       4.76913643               0
 C    3.10612392      -1.68347442       3.54876089               0
 C    1.24561894     -0.565163076       4.74295282               0
 C   0.626543343     -0.262825787       3.49451327               0
 C   -1.21849716      0.875767827       4.70582008               0
 C  -0.616025627      0.483450681       3.47475195               0
 C   -2.45002604       1.60368371       4.69550943               0
 C   -3.06817555       1.95052433       3.45535564               0
 C   -4.89816666       3.03994322       4.63398838               0
 C   -4.29806614       2.68094420       3.46251488               0
 H   -5.84214211       3.59538984       4.63122749               0
 H    4.82052326      -2.66038847       2.63947320               0
 C    2.45142984      -1.39951193       2.33836102               0
 H    2.90045047      -1.73609173       1.39366484               0
 C    1.25077033     -0.717772543       2.31368160               0
 H   0.785401106     -0.542142093       1.33739626               0
 C   -1.26027071      0.840870738       2.27093005               0
 H  -0.825332463      0.558341980       1.30543256               0
 C   -2.44508123       1.55245697       2.26038623               0
 H   -2.90660095       1.80596530       1.29659355               0
 H   -4.75008869       2.94231439       2.49988437               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead:  -4.95697744E-02 out: d-111-Gph-Perp|G_0.00_0.00_3.40.out                         
 H    4.73376656      -2.64110065       15.3045368               0
 C    4.26808023      -2.36525822       14.3535137               0
 H    2.61521316      -1.40794289       15.3257732               0
 C    3.05714726      -1.65887189       14.3592205               0
 H   0.926765501     -0.427463919       15.3076134               0
 C   0.498220563     -0.169435024       14.3368835               0
 H   -1.15298319      0.782891929       15.2770729               0
 C  -0.695944369      0.525454819       14.3194294               0
 H   -2.83843255       1.76777864       15.2464523               0
 C   -3.25417733       2.01522064       14.2676563               0
 H   -4.95473909       3.00244617       15.1637115               0
 C   -4.46537828       2.72037315       14.2263508               0
 H    5.81826735      -3.26425028       13.1493130               0
 C    4.87265587      -2.71168494       13.1605816               0
 C    4.27490807      -2.35122323       11.9261265               0
 C    2.41810656      -1.27637529       13.1697617               0
 C    3.03279185      -1.62222135       11.9296455               0
 C    1.15836036     -0.541858256       13.1530151               0
 C   0.559099853     -0.178043827       11.9114952               0
 C   -1.32046628      0.899722219       13.1169376               0
 C  -0.681430876      0.542731404       11.8935013               0
 C   -2.58152223       1.63208163       13.0969124               0
 C   -3.15955400       1.97806168       11.8394451               0
 C   -5.03924608       3.05927753       13.0166397               0
 C   -4.40597200       2.69919062       11.7996922               0
 H   -5.98536873       3.61008501       12.9780235               0
 H    5.81683683      -3.24747443       10.7105083               0
 C    4.87407446      -2.68893790       10.7015915               0
 C    4.30101490      -2.33125401       9.47475052               0
 C    2.43128276      -1.25208366       10.6929607               0
 C    3.05874181      -1.60051215       9.46765900               0
 C    1.19404352     -0.529601336       10.6785030               0
 C   0.600046754     -0.167008817       9.44169140               0
 C   -1.27499855      0.903105378       10.6425848               0
 C  -0.639480174      0.551025629       9.42363358               0
 C   -2.51567006       1.61989439       10.6206341               0
 C   -3.10332775       1.97427857       9.37753105               0
 C   -4.96994400       3.03531218       10.5582542               0
 C   -4.35219669       2.69362307       9.34838295               0
 H   -5.91975212       3.58173585       10.5395775               0
 H    5.85299253      -3.22635865       8.26158714               0
 C    4.90951395      -2.67053795       8.24485302               0
 C    4.33885574      -2.32814312       7.02419662               0
 C    2.46526718      -1.24044204       8.22994995               0
 C    3.09384465      -1.60624874       7.00775719               0
 C    1.22917247     -0.521829307       8.21123505               0
 C   0.627990842     -0.178702146       6.97061777               0
 C   -1.23321438      0.903862298       8.17500305               0
 C  -0.609381020      0.537939787       6.95242643               0
 C   -2.47070932       1.62071705       8.15732479               0
 C   -3.06992841       1.97355819       6.91674805               0
 C   -4.92189455       3.03627801       8.10120583               0
 C   -4.31469488       2.69621205       6.89736271               0
 H   -5.87141228       3.58201551       8.09025574               0
 H    5.90620756      -3.22141385       5.80255413               0
 C    4.95135736      -2.68584633       5.77817345               0
 C    4.35533905      -2.37781954       4.58989191               0
 C    2.48470926      -1.27872860       5.76913643               0
 C    3.10612392      -1.68347442       4.54876089               0
 C    1.24561894     -0.565163076       5.74295282               0
 C   0.626543343     -0.262825787       4.49451351               0
 C   -1.21849716      0.875767827       5.70582008               0
 C  -0.616025627      0.483450681       4.47475195               0
 C   -2.45002604       1.60368371       5.69550943               0
 C   -3.06817555       1.95052433       4.45535564               0
 C   -4.89816666       3.03994322       5.63398838               0
 C   -4.29806614       2.68094420       4.46251488               0
 H   -5.84214211       3.59538984       5.63122749               0
 H    4.82052326      -2.66038847       3.63947320               0
 C    2.45142984      -1.39951193       3.33836102               0
 H    2.90045047      -1.73609173       2.39366484               0
 C    1.25077033     -0.717772543       3.31368160               0
 H   0.785401106     -0.542142093       2.33739614               0
 C   -1.26027071      0.840870738       3.27093005               0
 H  -0.825332463      0.558341980       2.30543256               0
 C   -2.44508123       1.55245697       3.26038623               0
 H   -2.90660095       1.80596530       2.29659367               0
 H   -4.75008869       2.94231439       3.49988437               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead:   0.00000000     out: d-111-Gph-Perp|G_0.00_0.00_6.00.out                         
 H    4.73376656      -2.64110065       17.9045372               0
 C    4.26808023      -2.36525822       16.9535141               0
 H    2.61521316      -1.40794289       17.9257736               0
 C    3.05714726      -1.65887189       16.9592209               0
 H   0.926765501     -0.427463919       17.9076118               0
 C   0.498220563     -0.169435024       16.9368839               0
 H   -1.15298319      0.782891929       17.8770733               0
 C  -0.695944369      0.525454819       16.9194298               0
 H   -2.83843255       1.76777864       17.8464527               0
 C   -3.25417733       2.01522064       16.8676567               0
 H   -4.95473909       3.00244617       17.7637119               0
 C   -4.46537828       2.72037315       16.8263512               0
 H    5.81826735      -3.26425028       15.7493124               0
 C    4.87265587      -2.71168494       15.7605810               0
 C    4.27490807      -2.35122323       14.5261259               0
 C    2.41810656      -1.27637529       15.7697620               0
 C    3.03279185      -1.62222135       14.5296450               0
 C    1.15836036     -0.541858256       15.7530155               0
 C   0.559099853     -0.178043827       14.5114956               0
 C   -1.32046628      0.899722219       15.7169380               0
 C  -0.681430876      0.542731404       14.4935017               0
 C   -2.58152223       1.63208163       15.6969128               0
 C   -3.15955400       1.97806168       14.4394445               0
 C   -5.03924608       3.05927753       15.6166391               0
 C   -4.40597200       2.69919062       14.3996916               0
 H   -5.98536873       3.61008501       15.5780239               0
 H    5.81683683      -3.24747443       13.3105087               0
 C    4.87407446      -2.68893790       13.3015909               0
 C    4.30101490      -2.33125401       12.0747509               0
 C    2.43128276      -1.25208366       13.2929602               0
 C    3.05874181      -1.60051215       12.0676594               0
 C    1.19404352     -0.529601336       13.2785025               0
 C   0.600046754     -0.167008817       12.0416908               0
 C   -1.27499855      0.903105378       13.2425842               0
 C  -0.639480174      0.551025629       12.0236330               0
 C   -2.51567006       1.61989439       13.2206345               0
 C   -3.10332775       1.97427857       11.9775314               0
 C   -4.96994400       3.03531218       13.1582537               0
 C   -4.35219669       2.69362307       11.9483833               0
 H   -5.91975212       3.58173585       13.1395779               0
 H    5.85299253      -3.22635865       10.8615875               0
 C    4.90951395      -2.67053795       10.8448524               0
 C    4.33885574      -2.32814312       9.62419701               0
 C    2.46526718      -1.24044204       10.8299503               0
 C    3.09384465      -1.60624874       9.60775757               0
 C    1.22917247     -0.521829307       10.8112345               0
 C   0.627990842     -0.178702146       9.57061768               0
 C   -1.23321438      0.903862298       10.7750034               0
 C  -0.609381020      0.537939787       9.55242634               0
 C   -2.47070932       1.62071705       10.7573242               0
 C   -3.06992841       1.97355819       9.51674747               0
 C   -4.92189455       3.03627801       10.7012062               0
 C   -4.31469488       2.69621205       9.49736214               0
 H   -5.87141228       3.58201551       10.6902561               0
 H    5.90620756      -3.22141385       8.40255451               0
 C    4.95135736      -2.68584633       8.37817383               0
 C    4.35533905      -2.37781954       7.18989182               0
 C    2.48470926      -1.27872860       8.36913681               0
 C    3.10612392      -1.68347442       7.14876080               0
 C    1.24561894     -0.565163076       8.34295273               0
 C   0.626543343     -0.262825787       7.09451294               0
 C   -1.21849716      0.875767827       8.30582047               0
 C  -0.616025627      0.483450681       7.07475185               0
 C   -2.45002604       1.60368371       8.29550934               0
 C   -3.06817555       1.95052433       7.05535555               0
 C   -4.89816666       3.03994322       8.23398876               0
 C   -4.29806614       2.68094420       7.06251478               0
 H   -5.84214211       3.59538984       8.23122692               0
 H    4.82052326      -2.66038847       6.23947334               0
 C    2.45142984      -1.39951193       5.93836069               0
 H    2.90045047      -1.73609173       4.99366474               0
 C    1.25077033     -0.717772543       5.91368151               0
 H   0.785401106     -0.542142093       4.93739605               0
 C   -1.26027071      0.840870738       5.87092972               0
 H  -0.825332463      0.558341980       4.90543270               0
 C   -2.44508123       1.55245697       5.86038637               0
 H   -2.90660095       1.80596530       4.89659357               0
 H   -4.75008869       2.94231439       6.09988403               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.737794816     out: d-111-Gph-Perp|G_0.00_1.24_-0.10.out                        
 H    4.73376656      -1.40110064       11.8045359               0
 C    4.26808023      -1.12525821       10.8535137               0
 H    2.61521316     -0.167942882       11.8257723               0
 C    3.05714726     -0.418871880       10.8592205               0
 H   0.926765501      0.812536120       11.8076124               0
 C   0.498220563       1.07056499       10.8368835               0
 H   -1.15298319       2.02289200       11.7770729               0
 C  -0.695944369       1.76545477       10.8194294               0
 H   -2.83843255       3.00777864       11.7464523               0
 C   -3.25417733       3.25522065       10.7676563               0
 H   -4.95473909       4.24244595       11.6637115               0
 C   -4.46537828       3.96037316       10.7263498               0
 H    5.81826735      -2.02425027       9.64931202               0
 C    4.87265587      -1.47168493       9.66058064               0
 C    4.27490807      -1.11122322       8.42612553               0
 C    2.41810656      -3.63752842E-02   9.66976166               0
 C    3.03279185     -0.382221341       8.42964458               0
 C    1.15836036      0.698141754       9.65301514               0
 C   0.559099853       1.06195617       8.41149521               0
 C   -1.32046628       2.13972235       9.61693764               0
 C  -0.681430876       1.78273141       8.39350128               0
 C   -2.58152223       2.87208176       9.59691238               0
 C   -3.15955400       3.21806169       8.33944416               0
 C   -5.03924608       4.29927731       9.51663876               0
 C   -4.40597200       3.93919063       8.29969120               0
 H   -5.98536873       4.85008526       9.47802353               0
 H    5.81683683      -2.00747442       7.21050835               0
 C    4.87407446      -1.44893789       7.20159101               0
 C    4.30101490      -1.09125400       5.97475100               0
 C    2.43128276      -1.20836496E-02   7.19296026               0
 C    3.05874181     -0.360512137       5.96765947               0
 C    1.19404352      0.710398674       7.17850256               0
 C   0.600046754       1.07299113       5.94169140               0
 C   -1.27499855       2.14310551       7.14258480               0
 C  -0.639480174       1.79102564       5.92363310               0
 C   -2.51567006       2.85989428       7.12063408               0
 C   -3.10332775       3.21427870       5.87753105               0
 C   -4.96994400       4.27531242       7.05825377               0
 C   -4.35219669       3.93362308       5.84838343               0
 H   -5.91975212       4.82173586       7.03957748               0
 H    5.85299253      -1.98635864       4.76158714               0
 C    4.90951395      -1.43053794       4.74485302               0
 C    4.33885574      -1.08814311       3.52419686               0
 C    2.46526718      -4.42028046E-04   4.72994995               0
 C    3.09384465     -0.366248727       3.50775719               0
 C    1.22917247      0.718170702       4.71123457               0
 C   0.627990842       1.06129789       3.47061777               0
 C   -1.23321438       2.14386225       4.67500353               0
 C  -0.609381020       1.77793980       3.45242643               0
 C   -2.47070932       2.86071706       4.65732479               0
 C   -3.06992841       3.21355820       3.41674781               0
 C   -4.92189455       4.27627802       4.60120583               0
 C   -4.31469488       3.93621206       3.39736247               0
 H   -5.87141228       4.82201576       4.59025621               0
 H    5.90620756      -1.98141384       2.30255437               0
 C    4.95135736      -1.44584632       2.27817369               0
 C    4.35533905      -1.13781953       1.08989179               0
 C    2.48470926      -3.87285948E-02   2.26913643               0
 C    3.10612392     -0.443474412       1.04876089               0
 C    1.24561894      0.674836934       2.24295282               0
 C   0.626543343      0.977174222      0.994513154               0
 C   -1.21849716       2.11576796       2.20582032               0
 C  -0.616025627       1.72345066      0.974751949               0
 C   -2.45002604       2.84368372       2.19550943               0
 C   -3.06817555       3.19052434      0.955355644               0
 C   -4.89816666       4.27994347       2.13398862               0
 C   -4.29806614       3.92094421      0.962514877               0
 H   -5.84214211       4.83539009       2.13122725               0
 H    4.82052326      -1.42038846      0.139473110               0
 C    2.45142984     -0.159511924     -0.161639184               0
 H    2.90045047     -0.496091723      -1.10633528               0
 C    1.25077033      0.522227466     -0.186318606               0
 H   0.785401106      0.697857916      -1.16260386               0
 C   -1.26027071       2.08087063     -0.229070067               0
 H  -0.825332463       1.79834199      -1.19456756               0
 C   -2.44508123       2.79245710     -0.239613801               0
 H   -2.90660095       3.04596519      -1.20340657               0
 H   -4.75008869       4.18231440      -1.15782022E-04           0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.671997547     out: d-111-Gph-Perp|G_0.00_1.24_-0.30.out                        
 H    4.73376656      -1.40110064       11.6045361               0
 C    4.26808023      -1.12525821       10.6535139               0
 H    2.61521316     -0.167942882       11.6257725               0
 C    3.05714726     -0.418871880       10.6592207               0
 H   0.926765501      0.812536120       11.6076126               0
 C   0.498220563       1.07056499       10.6368837               0
 H   -1.15298319       2.02289200       11.5770731               0
 C  -0.695944369       1.76545477       10.6194296               0
 H   -2.83843255       3.00777864       11.5464525               0
 C   -3.25417733       3.25522065       10.5676565               0
 H   -4.95473909       4.24244595       11.4637117               0
 C   -4.46537828       3.96037316       10.5263500               0
 H    5.81826735      -2.02425027       9.44931221               0
 C    4.87265587      -1.47168493       9.46058083               0
 C    4.27490807      -1.11122322       8.22612572               0
 C    2.41810656      -3.63752842E-02   9.46976185               0
 C    3.03279185     -0.382221341       8.22964478               0
 C    1.15836036      0.698141754       9.45301533               0
 C   0.559099853       1.06195617       8.21149540               0
 C   -1.32046628       2.13972235       9.41693783               0
 C  -0.681430876       1.78273141       8.19350147               0
 C   -2.58152223       2.87208176       9.39691257               0
 C   -3.15955400       3.21806169       8.13944435               0
 C   -5.03924608       4.29927731       9.31663895               0
 C   -4.40597200       3.93919063       8.09969139               0
 H   -5.98536873       4.85008526       9.27802372               0
 H    5.81683683      -2.00747442       7.01050806               0
 C    4.87407446      -1.44893789       7.00159073               0
 C    4.30101490      -1.09125400       5.77475071               0
 C    2.43128276      -1.20836496E-02   6.99295998               0
 C    3.05874181     -0.360512137       5.76765919               0
 C    1.19404352      0.710398674       6.97850227               0
 C   0.600046754       1.07299113       5.74169111               0
 C   -1.27499855       2.14310551       6.94258451               0
 C  -0.639480174       1.79102564       5.72363281               0
 C   -2.51567006       2.85989428       6.92063379               0
 C   -3.10332775       3.21427870       5.67753077               0
 C   -4.96994400       4.27531242       6.85825348               0
 C   -4.35219669       3.93362308       5.64838314               0
 H   -5.91975212       4.82173586       6.83957720               0
 H    5.85299253      -1.98635864       4.56158686               0
 C    4.90951395      -1.43053794       4.54485273               0
 C    4.33885574      -1.08814311       3.32419682               0
 C    2.46526718      -4.42028046E-04   4.52994967               0
 C    3.09384465     -0.366248727       3.30775714               0
 C    1.22917247      0.718170702       4.51123428               0
 C   0.627990842       1.06129789       3.27061772               0
 C   -1.23321438       2.14386225       4.47500324               0
 C  -0.609381020       1.77793980       3.25242639               0
 C   -2.47070932       2.86071706       4.45732450               0
 C   -3.06992841       3.21355820       3.21674776               0
 C   -4.92189455       4.27627802       4.40120554               0
 C   -4.31469488       3.93621206       3.19736242               0
 H   -5.87141228       4.82201576       4.39025593               0
 H    5.90620756      -1.98141384       2.10255432               0
 C    4.95135736      -1.44584632       2.07817364               0
 C    4.35533905      -1.13781953      0.889891803               0
 C    2.48470926      -3.87285948E-02   2.06913638               0
 C    3.10612392     -0.443474412      0.848760903               0
 C    1.24561894      0.674836934       2.04295278               0
 C   0.626543343      0.977174222      0.794513166               0
 C   -1.21849716       2.11576796       2.00582027               0
 C  -0.616025627       1.72345066      0.774751961               0
 C   -2.45002604       2.84368372       1.99550939               0
 C   -3.06817555       3.19052434      0.755355656               0
 C   -4.89816666       4.27994347       1.93398857               0
 C   -4.29806614       3.92094421      0.762514889               0
 H   -5.84214211       4.83539009       1.93122721               0
 H    4.82052326      -1.42038846      -6.05269074E-02           0
 C    2.45142984     -0.159511924     -0.361639202               0
 H    2.90045047     -0.496091723      -1.30633521               0
 C    1.25077033      0.522227466     -0.386318624               0
 H   0.785401106      0.697857916      -1.36260390               0
 C   -1.26027071       2.08087063     -0.429070085               0
 H  -0.825332463       1.79834199      -1.39456749               0
 C   -2.44508123       2.79245710     -0.439613819               0
 H   -2.90660095       3.04596519      -1.40340662               0
 H   -4.75008869       4.18231440     -0.200115800               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.667856395     out: d-111-Gph-Perp|G_0.00_1.24_0.30.out                         
 H    4.73376656      -1.40110064       12.2045364               0
 C    4.26808023      -1.12525821       11.2535143               0
 H    2.61521316     -0.167942882       12.2257729               0
 C    3.05714726     -0.418871880       11.2592211               0
 H   0.926765501      0.812536120       12.2076130               0
 C   0.498220563       1.07056499       11.2368841               0
 H   -1.15298319       2.02289200       12.1770735               0
 C  -0.695944369       1.76545477       11.2194300               0
 H   -2.83843255       3.00777864       12.1464529               0
 C   -3.25417733       3.25522065       11.1676569               0
 H   -4.95473909       4.24244595       12.0637121               0
 C   -4.46537828       3.96037316       11.1263504               0
 H    5.81826735      -2.02425027       10.0493126               0
 C    4.87265587      -1.47168493       10.0605812               0
 C    4.27490807      -1.11122322       8.82612610               0
 C    2.41810656      -3.63752842E-02   10.0697622               0
 C    3.03279185     -0.382221341       8.82964516               0
 C    1.15836036      0.698141754       10.0530157               0
 C   0.559099853       1.06195617       8.81149578               0
 C   -1.32046628       2.13972235       10.0169382               0
 C  -0.681430876       1.78273141       8.79350185               0
 C   -2.58152223       2.87208176       9.99691296               0
 C   -3.15955400       3.21806169       8.73944473               0
 C   -5.03924608       4.29927731       9.91663933               0
 C   -4.40597200       3.93919063       8.69969177               0
 H   -5.98536873       4.85008526       9.87802410               0
 H    5.81683683      -2.00747442       7.61050844               0
 C    4.87407446      -1.44893789       7.60159111               0
 C    4.30101490      -1.09125400       6.37475109               0
 C    2.43128276      -1.20836496E-02   7.59296036               0
 C    3.05874181     -0.360512137       6.36765957               0
 C    1.19404352      0.710398674       7.57850266               0
 C   0.600046754       1.07299113       6.34169149               0
 C   -1.27499855       2.14310551       7.54258490               0
 C  -0.639480174       1.79102564       6.32363319               0
 C   -2.51567006       2.85989428       7.52063417               0
 C   -3.10332775       3.21427870       6.27753115               0
 C   -4.96994400       4.27531242       7.45825386               0
 C   -4.35219669       3.93362308       6.24838352               0
 H   -5.91975212       4.82173586       7.43957758               0
 H    5.85299253      -1.98635864       5.16158724               0
 C    4.90951395      -1.43053794       5.14485312               0
 C    4.33885574      -1.08814311       3.92419672               0
 C    2.46526718      -4.42028046E-04   5.12995005               0
 C    3.09384465     -0.366248727       3.90775704               0
 C    1.22917247      0.718170702       5.11123466               0
 C   0.627990842       1.06129789       3.87061763               0
 C   -1.23321438       2.14386225       5.07500362               0
 C  -0.609381020       1.77793980       3.85242629               0
 C   -2.47070932       2.86071706       5.05732489               0
 C   -3.06992841       3.21355820       3.81674767               0
 C   -4.92189455       4.27627802       5.00120592               0
 C   -4.31469488       3.93621206       3.79736233               0
 H   -5.87141228       4.82201576       4.99025631               0
 H    5.90620756      -1.98141384       2.70255423               0
 C    4.95135736      -1.44584632       2.67817354               0
 C    4.35533905      -1.13781953       1.48989177               0
 C    2.48470926      -3.87285948E-02   2.66913629               0
 C    3.10612392     -0.443474412       1.44876099               0
 C    1.24561894      0.674836934       2.64295268               0
 C   0.626543343      0.977174222       1.39451313               0
 C   -1.21849716       2.11576796       2.60582018               0
 C  -0.616025627       1.72345066       1.37475204               0
 C   -2.45002604       2.84368372       2.59550929               0
 C   -3.06817555       3.19052434       1.35535574               0
 C   -4.89816666       4.27994347       2.53398848               0
 C   -4.29806614       3.92094421       1.36251497               0
 H   -5.84214211       4.83539009       2.53122711               0
 H    4.82052326      -1.42038846      0.539473116               0
 C    2.45142984     -0.159511924      0.238360837               0
 H    2.90045047     -0.496091723     -0.706335247               0
 C    1.25077033      0.522227466      0.213681400               0
 H   0.785401106      0.697857916     -0.762603819               0
 C   -1.26027071       2.08087063      0.170929939               0
 H  -0.825332463       1.79834199     -0.794567525               0
 C   -2.44508123       2.79245710      0.160386220               0
 H   -2.90660095       3.04596519     -0.803406537               0
 H   -4.75008869       4.18231440      0.399884224               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.555286646     out: d-111-Gph-Perp|G_0.00_1.24_0.60.out                         
 H    4.73376656      -1.40110064       12.5045366               0
 C    4.26808023      -1.12525821       11.5535145               0
 H    2.61521316     -0.167942882       12.5257730               0
 C    3.05714726     -0.418871880       11.5592213               0
 H   0.926765501      0.812536120       12.5076132               0
 C   0.498220563       1.07056499       11.5368843               0
 H   -1.15298319       2.02289200       12.4770737               0
 C  -0.695944369       1.76545477       11.5194302               0
 H   -2.83843255       3.00777864       12.4464531               0
 C   -3.25417733       3.25522065       11.4676571               0
 H   -4.95473909       4.24244595       12.3637123               0
 C   -4.46537828       3.96037316       11.4263506               0
 H    5.81826735      -2.02425027       10.3493128               0
 C    4.87265587      -1.47168493       10.3605814               0
 C    4.27490807      -1.11122322       9.12612629               0
 C    2.41810656      -3.63752842E-02   10.3697624               0
 C    3.03279185     -0.382221341       9.12964535               0
 C    1.15836036      0.698141754       10.3530159               0
 C   0.559099853       1.06195617       9.11149597               0
 C   -1.32046628       2.13972235       10.3169384               0
 C  -0.681430876       1.78273141       9.09350204               0
 C   -2.58152223       2.87208176       10.2969131               0
 C   -3.15955400       3.21806169       9.03944492               0
 C   -5.03924608       4.29927731       10.2166395               0
 C   -4.40597200       3.93919063       8.99969196               0
 H   -5.98536873       4.85008526       10.1780243               0
 H    5.81683683      -2.00747442       7.91050816               0
 C    4.87407446      -1.44893789       7.90159082               0
 C    4.30101490      -1.09125400       6.67475080               0
 C    2.43128276      -1.20836496E-02   7.89296007               0
 C    3.05874181     -0.360512137       6.66765928               0
 C    1.19404352      0.710398674       7.87850237               0
 C   0.600046754       1.07299113       6.64169121               0
 C   -1.27499855       2.14310551       7.84258461               0
 C  -0.639480174       1.79102564       6.62363291               0
 C   -2.51567006       2.85989428       7.82063389               0
 C   -3.10332775       3.21427870       6.57753086               0
 C   -4.96994400       4.27531242       7.75825357               0
 C   -4.35219669       3.93362308       6.54838324               0
 H   -5.91975212       4.82173586       7.73957729               0
 H    5.85299253      -1.98635864       5.46158695               0
 C    4.90951395      -1.43053794       5.44485283               0
 C    4.33885574      -1.08814311       4.22419691               0
 C    2.46526718      -4.42028046E-04   5.42994976               0
 C    3.09384465     -0.366248727       4.20775700               0
 C    1.22917247      0.718170702       5.41123438               0
 C   0.627990842       1.06129789       4.17061758               0
 C   -1.23321438       2.14386225       5.37500334               0
 C  -0.609381020       1.77793980       4.15242624               0
 C   -2.47070932       2.86071706       5.35732460               0
 C   -3.06992841       3.21355820       4.11674786               0
 C   -4.92189455       4.27627802       5.30120564               0
 C   -4.31469488       3.93621206       4.09736252               0
 H   -5.87141228       4.82201576       5.29025602               0
 H    5.90620756      -1.98141384       3.00255442               0
 C    4.95135736      -1.44584632       2.97817373               0
 C    4.35533905      -1.13781953       1.78989184               0
 C    2.48470926      -3.87285948E-02   2.96913624               0
 C    3.10612392     -0.443474412       1.74876094               0
 C    1.24561894      0.674836934       2.94295263               0
 C   0.626543343      0.977174222       1.69451320               0
 C   -1.21849716       2.11576796       2.90582037               0
 C  -0.616025627       1.72345066       1.67475200               0
 C   -2.45002604       2.84368372       2.89550924               0
 C   -3.06817555       3.19052434       1.65535569               0
 C   -4.89816666       4.27994347       2.83398867               0
 C   -4.29806614       3.92094421       1.66251493               0
 H   -5.84214211       4.83539009       2.83122730               0
 H    4.82052326      -1.42038846      0.839473128               0
 C    2.45142984     -0.159511924      0.538360834               0
 H    2.90045047     -0.496091723     -0.406335235               0
 C    1.25077033      0.522227466      0.513681412               0
 H   0.785401106      0.697857916     -0.462603807               0
 C   -1.26027071       2.08087063      0.470929950               0
 H  -0.825332463       1.79834199     -0.494567513               0
 C   -2.44508123       2.79245710      0.460386217               0
 H   -2.90660095       3.04596519     -0.503406525               0
 H   -4.75008869       4.18231440      0.699884236               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.406925619     out: d-111-Gph-Perp|G_0.00_1.24_1.00.out                         
 H    4.73376656      -1.40110064       12.9045362               0
 C    4.26808023      -1.12525821       11.9535141               0
 H    2.61521316     -0.167942882       12.9257727               0
 C    3.05714726     -0.418871880       11.9592209               0
 H   0.926765501      0.812536120       12.9076128               0
 C   0.498220563       1.07056499       11.9368839               0
 H   -1.15298319       2.02289200       12.8770733               0
 C  -0.695944369       1.76545477       11.9194298               0
 H   -2.83843255       3.00777864       12.8464527               0
 C   -3.25417733       3.25522065       11.8676567               0
 H   -4.95473909       4.24244595       12.7637119               0
 C   -4.46537828       3.96037316       11.8263502               0
 H    5.81826735      -2.02425027       10.7493124               0
 C    4.87265587      -1.47168493       10.7605810               0
 C    4.27490807      -1.11122322       9.52612591               0
 C    2.41810656      -3.63752842E-02   10.7697620               0
 C    3.03279185     -0.382221341       9.52964497               0
 C    1.15836036      0.698141754       10.7530155               0
 C   0.559099853       1.06195617       9.51149559               0
 C   -1.32046628       2.13972235       10.7169380               0
 C  -0.681430876       1.78273141       9.49350166               0
 C   -2.58152223       2.87208176       10.6969128               0
 C   -3.15955400       3.21806169       9.43944454               0
 C   -5.03924608       4.29927731       10.6166391               0
 C   -4.40597200       3.93919063       9.39969158               0
 H   -5.98536873       4.85008526       10.5780239               0
 H    5.81683683      -2.00747442       8.31050873               0
 C    4.87407446      -1.44893789       8.30159092               0
 C    4.30101490      -1.09125400       7.07475090               0
 C    2.43128276      -1.20836496E-02   8.29296017               0
 C    3.05874181     -0.360512137       7.06765938               0
 C    1.19404352      0.710398674       8.27850246               0
 C   0.600046754       1.07299113       7.04169130               0
 C   -1.27499855       2.14310551       8.24258423               0
 C  -0.639480174       1.79102564       7.02363300               0
 C   -2.51567006       2.85989428       8.22063446               0
 C   -3.10332775       3.21427870       6.97753096               0
 C   -4.96994400       4.27531242       8.15825367               0
 C   -4.35219669       3.93362308       6.94838333               0
 H   -5.91975212       4.82173586       8.13957787               0
 H    5.85299253      -1.98635864       5.86158705               0
 C    4.90951395      -1.43053794       5.84485292               0
 C    4.33885574      -1.08814311       4.62419701               0
 C    2.46526718      -4.42028046E-04   5.82994986               0
 C    3.09384465     -0.366248727       4.60775709               0
 C    1.22917247      0.718170702       5.81123447               0
 C   0.627990842       1.06129789       4.57061768               0
 C   -1.23321438       2.14386225       5.77500343               0
 C  -0.609381020       1.77793980       4.55242634               0
 C   -2.47070932       2.86071706       5.75732470               0
 C   -3.06992841       3.21355820       4.51674747               0
 C   -4.92189455       4.27627802       5.70120573               0
 C   -4.31469488       3.93621206       4.49736214               0
 H   -5.87141228       4.82201576       5.69025612               0
 H    5.90620756      -1.98141384       3.40255427               0
 C    4.95135736      -1.44584632       3.37817359               0
 C    4.35533905      -1.13781953       2.18989182               0
 C    2.48470926      -3.87285948E-02   3.36913633               0
 C    3.10612392     -0.443474412       2.14876080               0
 C    1.24561894      0.674836934       3.34295273               0
 C   0.626543343      0.977174222       2.09451318               0
 C   -1.21849716       2.11576796       3.30582023               0
 C  -0.616025627       1.72345066       2.07475185               0
 C   -2.45002604       2.84368372       3.29550934               0
 C   -3.06817555       3.19052434       2.05535555               0
 C   -4.89816666       4.27994347       3.23398852               0
 C   -4.29806614       3.92094421       2.06251478               0
 H   -5.84214211       4.83539009       3.23122716               0
 H    4.82052326      -1.42038846       1.23947310               0
 C    2.45142984     -0.159511924      0.938360810               0
 H    2.90045047     -0.496091723      -6.33525848E-03           0
 C    1.25077033      0.522227466      0.913681388               0
 H   0.785401106      0.697857916      -6.26038313E-02           0
 C   -1.26027071       2.08087063      0.870929956               0
 H  -0.825332463       1.79834199      -9.45675373E-02           0
 C   -2.44508123       2.79245710      0.860386193               0
 H   -2.90660095       3.04596519     -0.103406549               0
 H   -4.75008869       4.18231440       1.09988427               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.239119604     out: d-111-Gph-Perp|G_0.00_1.24_1.60.out                         
 H    4.73376656      -1.40110064       13.5045366               0
 C    4.26808023      -1.12525821       12.5535145               0
 H    2.61521316     -0.167942882       13.5257730               0
 C    3.05714726     -0.418871880       12.5592213               0
 H   0.926765501      0.812536120       13.5076132               0
 C   0.498220563       1.07056499       12.5368843               0
 H   -1.15298319       2.02289200       13.4770737               0
 C  -0.695944369       1.76545477       12.5194302               0
 H   -2.83843255       3.00777864       13.4464531               0
 C   -3.25417733       3.25522065       12.4676571               0
 H   -4.95473909       4.24244595       13.3637123               0
 C   -4.46537828       3.96037316       12.4263506               0
 H    5.81826735      -2.02425027       11.3493128               0
 C    4.87265587      -1.47168493       11.3605814               0
 C    4.27490807      -1.11122322       10.1261263               0
 C    2.41810656      -3.63752842E-02   11.3697624               0
 C    3.03279185     -0.382221341       10.1296453               0
 C    1.15836036      0.698141754       11.3530159               0
 C   0.559099853       1.06195617       10.1114960               0
 C   -1.32046628       2.13972235       11.3169384               0
 C  -0.681430876       1.78273141       10.0935020               0
 C   -2.58152223       2.87208176       11.2969131               0
 C   -3.15955400       3.21806169       10.0394449               0
 C   -5.03924608       4.29927731       11.2166395               0
 C   -4.40597200       3.93919063       9.99969196               0
 H   -5.98536873       4.85008526       11.1780243               0
 H    5.81683683      -2.00747442       8.91050816               0
 C    4.87407446      -1.44893789       8.90159130               0
 C    4.30101490      -1.09125400       7.67475080               0
 C    2.43128276      -1.20836496E-02   8.89296055               0
 C    3.05874181     -0.360512137       7.66765928               0
 C    1.19404352      0.710398674       8.87850285               0
 C   0.600046754       1.07299113       7.64169121               0
 C   -1.27499855       2.14310551       8.84258461               0
 C  -0.639480174       1.79102564       7.62363291               0
 C   -2.51567006       2.85989428       8.82063389               0
 C   -3.10332775       3.21427870       7.57753086               0
 C   -4.96994400       4.27531242       8.75825405               0
 C   -4.35219669       3.93362308       7.54838324               0
 H   -5.91975212       4.82173586       8.73957729               0
 H    5.85299253      -1.98635864       6.46158695               0
 C    4.90951395      -1.43053794       6.44485283               0
 C    4.33885574      -1.08814311       5.22419691               0
 C    2.46526718      -4.42028046E-04   6.42994976               0
 C    3.09384465     -0.366248727       5.20775700               0
 C    1.22917247      0.718170702       6.41123438               0
 C   0.627990842       1.06129789       5.17061758               0
 C   -1.23321438       2.14386225       6.37500334               0
 C  -0.609381020       1.77793980       5.15242624               0
 C   -2.47070932       2.86071706       6.35732460               0
 C   -3.06992841       3.21355820       5.11674786               0
 C   -4.92189455       4.27627802       6.30120564               0
 C   -4.31469488       3.93621206       5.09736252               0
 H   -5.87141228       4.82201576       6.29025602               0
 H    5.90620756      -1.98141384       4.00255442               0
 C    4.95135736      -1.44584632       3.97817373               0
 C    4.35533905      -1.13781953       2.78989172               0
 C    2.48470926      -3.87285948E-02   3.96913624               0
 C    3.10612392     -0.443474412       2.74876094               0
 C    1.24561894      0.674836934       3.94295263               0
 C   0.626543343      0.977174222       2.69451332               0
 C   -1.21849716       2.11576796       3.90582037               0
 C  -0.616025627       1.72345066       2.67475200               0
 C   -2.45002604       2.84368372       3.89550924               0
 C   -3.06817555       3.19052434       2.65535569               0
 C   -4.89816666       4.27994347       3.83398867               0
 C   -4.29806614       3.92094421       2.66251493               0
 H   -5.84214211       4.83539009       3.83122730               0
 H    4.82052326      -1.42038846       1.83947313               0
 C    2.45142984     -0.159511924       1.53836083               0
 H    2.90045047     -0.496091723      0.593664765               0
 C    1.25077033      0.522227466       1.51368141               0
 H   0.785401106      0.697857916      0.537396193               0
 C   -1.26027071       2.08087063       1.47092998               0
 H  -0.825332463       1.79834199      0.505432487               0
 C   -2.44508123       2.79245710       1.46038628               0
 H   -2.90660095       3.04596519      0.496593475               0
 H   -4.75008869       4.18231440       1.69988430               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.116472669     out: d-111-Gph-Perp|G_0.00_1.24_2.40.out                         
 H    4.73376656      -1.40110064       14.3045368               0
 C    4.26808023      -1.12525821       13.3535137               0
 H    2.61521316     -0.167942882       14.3257732               0
 C    3.05714726     -0.418871880       13.3592205               0
 H   0.926765501      0.812536120       14.3076134               0
 C   0.498220563       1.07056499       13.3368835               0
 H   -1.15298319       2.02289200       14.2770729               0
 C  -0.695944369       1.76545477       13.3194294               0
 H   -2.83843255       3.00777864       14.2464523               0
 C   -3.25417733       3.25522065       13.2676563               0
 H   -4.95473909       4.24244595       14.1637115               0
 C   -4.46537828       3.96037316       13.2263508               0
 H    5.81826735      -2.02425027       12.1493130               0
 C    4.87265587      -1.47168493       12.1605816               0
 C    4.27490807      -1.11122322       10.9261265               0
 C    2.41810656      -3.63752842E-02   12.1697617               0
 C    3.03279185     -0.382221341       10.9296455               0
 C    1.15836036      0.698141754       12.1530151               0
 C   0.559099853       1.06195617       10.9114952               0
 C   -1.32046628       2.13972235       12.1169376               0
 C  -0.681430876       1.78273141       10.8935013               0
 C   -2.58152223       2.87208176       12.0969124               0
 C   -3.15955400       3.21806169       10.8394451               0
 C   -5.03924608       4.29927731       12.0166397               0
 C   -4.40597200       3.93919063       10.7996922               0
 H   -5.98536873       4.85008526       11.9780235               0
 H    5.81683683      -2.00747442       9.71050835               0
 C    4.87407446      -1.44893789       9.70159149               0
 C    4.30101490      -1.09125400       8.47475052               0
 C    2.43128276      -1.20836496E-02   9.69296074               0
 C    3.05874181     -0.360512137       8.46765900               0
 C    1.19404352      0.710398674       9.67850304               0
 C   0.600046754       1.07299113       8.44169140               0
 C   -1.27499855       2.14310551       9.64258480               0
 C  -0.639480174       1.79102564       8.42363358               0
 C   -2.51567006       2.85989428       9.62063408               0
 C   -3.10332775       3.21427870       8.37753105               0
 C   -4.96994400       4.27531242       9.55825424               0
 C   -4.35219669       3.93362308       8.34838295               0
 H   -5.91975212       4.82173586       9.53957748               0
 H    5.85299253      -1.98635864       7.26158714               0
 C    4.90951395      -1.43053794       7.24485302               0
 C    4.33885574      -1.08814311       6.02419662               0
 C    2.46526718      -4.42028046E-04   7.22994995               0
 C    3.09384465     -0.366248727       6.00775719               0
 C    1.22917247      0.718170702       7.21123457               0
 C   0.627990842       1.06129789       5.97061777               0
 C   -1.23321438       2.14386225       7.17500353               0
 C  -0.609381020       1.77793980       5.95242643               0
 C   -2.47070932       2.86071706       7.15732479               0
 C   -3.06992841       3.21355820       5.91674805               0
 C   -4.92189455       4.27627802       7.10120583               0
 C   -4.31469488       3.93621206       5.89736271               0
 H   -5.87141228       4.82201576       7.09025621               0
 H    5.90620756      -1.98141384       4.80255413               0
 C    4.95135736      -1.44584632       4.77817345               0
 C    4.35533905      -1.13781953       3.58989191               0
 C    2.48470926      -3.87285948E-02   4.76913643               0
 C    3.10612392     -0.443474412       3.54876089               0
 C    1.24561894      0.674836934       4.74295282               0
 C   0.626543343      0.977174222       3.49451327               0
 C   -1.21849716       2.11576796       4.70582008               0
 C  -0.616025627       1.72345066       3.47475195               0
 C   -2.45002604       2.84368372       4.69550943               0
 C   -3.06817555       3.19052434       3.45535564               0
 C   -4.89816666       4.27994347       4.63398838               0
 C   -4.29806614       3.92094421       3.46251488               0
 H   -5.84214211       4.83539009       4.63122749               0
 H    4.82052326      -1.42038846       2.63947320               0
 C    2.45142984     -0.159511924       2.33836102               0
 H    2.90045047     -0.496091723       1.39366484               0
 C    1.25077033      0.522227466       2.31368160               0
 H   0.785401106      0.697857916       1.33739626               0
 C   -1.26027071       2.08087063       2.27093005               0
 H  -0.825332463       1.79834199       1.30543256               0
 C   -2.44508123       2.79245710       2.26038623               0
 H   -2.90660095       3.04596519       1.29659355               0
 H   -4.75008869       4.18231440       2.49988437               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead:  -4.79267500E-02 out: d-111-Gph-Perp|G_0.00_1.24_3.40.out                         
 H    4.73376656      -1.40110064       15.3045368               0
 C    4.26808023      -1.12525821       14.3535137               0
 H    2.61521316     -0.167942882       15.3257732               0
 C    3.05714726     -0.418871880       14.3592205               0
 H   0.926765501      0.812536120       15.3076134               0
 C   0.498220563       1.07056499       14.3368835               0
 H   -1.15298319       2.02289200       15.2770729               0
 C  -0.695944369       1.76545477       14.3194294               0
 H   -2.83843255       3.00777864       15.2464523               0
 C   -3.25417733       3.25522065       14.2676563               0
 H   -4.95473909       4.24244595       15.1637115               0
 C   -4.46537828       3.96037316       14.2263508               0
 H    5.81826735      -2.02425027       13.1493130               0
 C    4.87265587      -1.47168493       13.1605816               0
 C    4.27490807      -1.11122322       11.9261265               0
 C    2.41810656      -3.63752842E-02   13.1697617               0
 C    3.03279185     -0.382221341       11.9296455               0
 C    1.15836036      0.698141754       13.1530151               0
 C   0.559099853       1.06195617       11.9114952               0
 C   -1.32046628       2.13972235       13.1169376               0
 C  -0.681430876       1.78273141       11.8935013               0
 C   -2.58152223       2.87208176       13.0969124               0
 C   -3.15955400       3.21806169       11.8394451               0
 C   -5.03924608       4.29927731       13.0166397               0
 C   -4.40597200       3.93919063       11.7996922               0
 H   -5.98536873       4.85008526       12.9780235               0
 H    5.81683683      -2.00747442       10.7105083               0
 C    4.87407446      -1.44893789       10.7015915               0
 C    4.30101490      -1.09125400       9.47475052               0
 C    2.43128276      -1.20836496E-02   10.6929607               0
 C    3.05874181     -0.360512137       9.46765900               0
 C    1.19404352      0.710398674       10.6785030               0
 C   0.600046754       1.07299113       9.44169140               0
 C   -1.27499855       2.14310551       10.6425848               0
 C  -0.639480174       1.79102564       9.42363358               0
 C   -2.51567006       2.85989428       10.6206341               0
 C   -3.10332775       3.21427870       9.37753105               0
 C   -4.96994400       4.27531242       10.5582542               0
 C   -4.35219669       3.93362308       9.34838295               0
 H   -5.91975212       4.82173586       10.5395775               0
 H    5.85299253      -1.98635864       8.26158714               0
 C    4.90951395      -1.43053794       8.24485302               0
 C    4.33885574      -1.08814311       7.02419662               0
 C    2.46526718      -4.42028046E-04   8.22994995               0
 C    3.09384465     -0.366248727       7.00775719               0
 C    1.22917247      0.718170702       8.21123505               0
 C   0.627990842       1.06129789       6.97061777               0
 C   -1.23321438       2.14386225       8.17500305               0
 C  -0.609381020       1.77793980       6.95242643               0
 C   -2.47070932       2.86071706       8.15732479               0
 C   -3.06992841       3.21355820       6.91674805               0
 C   -4.92189455       4.27627802       8.10120583               0
 C   -4.31469488       3.93621206       6.89736271               0
 H   -5.87141228       4.82201576       8.09025574               0
 H    5.90620756      -1.98141384       5.80255413               0
 C    4.95135736      -1.44584632       5.77817345               0
 C    4.35533905      -1.13781953       4.58989191               0
 C    2.48470926      -3.87285948E-02   5.76913643               0
 C    3.10612392     -0.443474412       4.54876089               0
 C    1.24561894      0.674836934       5.74295282               0
 C   0.626543343      0.977174222       4.49451351               0
 C   -1.21849716       2.11576796       5.70582008               0
 C  -0.616025627       1.72345066       4.47475195               0
 C   -2.45002604       2.84368372       5.69550943               0
 C   -3.06817555       3.19052434       4.45535564               0
 C   -4.89816666       4.27994347       5.63398838               0
 C   -4.29806614       3.92094421       4.46251488               0
 H   -5.84214211       4.83539009       5.63122749               0
 H    4.82052326      -1.42038846       3.63947320               0
 C    2.45142984     -0.159511924       3.33836102               0
 H    2.90045047     -0.496091723       2.39366484               0
 C    1.25077033      0.522227466       3.31368160               0
 H   0.785401106      0.697857916       2.33739614               0
 C   -1.26027071       2.08087063       3.27093005               0
 H  -0.825332463       1.79834199       2.30543256               0
 C   -2.44508123       2.79245710       3.26038623               0
 H   -2.90660095       3.04596519       2.29659367               0
 H   -4.75008869       4.18231440       3.49988437               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead:   5.33615006E-04 out: d-111-Gph-Perp|G_0.00_1.24_6.00.out                         
 H    4.73376656      -1.40110064       17.9045372               0
 C    4.26808023      -1.12525821       16.9535141               0
 H    2.61521316     -0.167942882       17.9257736               0
 C    3.05714726     -0.418871880       16.9592209               0
 H   0.926765501      0.812536120       17.9076118               0
 C   0.498220563       1.07056499       16.9368839               0
 H   -1.15298319       2.02289200       17.8770733               0
 C  -0.695944369       1.76545477       16.9194298               0
 H   -2.83843255       3.00777864       17.8464527               0
 C   -3.25417733       3.25522065       16.8676567               0
 H   -4.95473909       4.24244595       17.7637119               0
 C   -4.46537828       3.96037316       16.8263512               0
 H    5.81826735      -2.02425027       15.7493124               0
 C    4.87265587      -1.47168493       15.7605810               0
 C    4.27490807      -1.11122322       14.5261259               0
 C    2.41810656      -3.63752842E-02   15.7697620               0
 C    3.03279185     -0.382221341       14.5296450               0
 C    1.15836036      0.698141754       15.7530155               0
 C   0.559099853       1.06195617       14.5114956               0
 C   -1.32046628       2.13972235       15.7169380               0
 C  -0.681430876       1.78273141       14.4935017               0
 C   -2.58152223       2.87208176       15.6969128               0
 C   -3.15955400       3.21806169       14.4394445               0
 C   -5.03924608       4.29927731       15.6166391               0
 C   -4.40597200       3.93919063       14.3996916               0
 H   -5.98536873       4.85008526       15.5780239               0
 H    5.81683683      -2.00747442       13.3105087               0
 C    4.87407446      -1.44893789       13.3015909               0
 C    4.30101490      -1.09125400       12.0747509               0
 C    2.43128276      -1.20836496E-02   13.2929602               0
 C    3.05874181     -0.360512137       12.0676594               0
 C    1.19404352      0.710398674       13.2785025               0
 C   0.600046754       1.07299113       12.0416908               0
 C   -1.27499855       2.14310551       13.2425842               0
 C  -0.639480174       1.79102564       12.0236330               0
 C   -2.51567006       2.85989428       13.2206345               0
 C   -3.10332775       3.21427870       11.9775314               0
 C   -4.96994400       4.27531242       13.1582537               0
 C   -4.35219669       3.93362308       11.9483833               0
 H   -5.91975212       4.82173586       13.1395779               0
 H    5.85299253      -1.98635864       10.8615875               0
 C    4.90951395      -1.43053794       10.8448524               0
 C    4.33885574      -1.08814311       9.62419701               0
 C    2.46526718      -4.42028046E-04   10.8299503               0
 C    3.09384465     -0.366248727       9.60775757               0
 C    1.22917247      0.718170702       10.8112345               0
 C   0.627990842       1.06129789       9.57061768               0
 C   -1.23321438       2.14386225       10.7750034               0
 C  -0.609381020       1.77793980       9.55242634               0
 C   -2.47070932       2.86071706       10.7573242               0
 C   -3.06992841       3.21355820       9.51674747               0
 C   -4.92189455       4.27627802       10.7012062               0
 C   -4.31469488       3.93621206       9.49736214               0
 H   -5.87141228       4.82201576       10.6902561               0
 H    5.90620756      -1.98141384       8.40255451               0
 C    4.95135736      -1.44584632       8.37817383               0
 C    4.35533905      -1.13781953       7.18989182               0
 C    2.48470926      -3.87285948E-02   8.36913681               0
 C    3.10612392     -0.443474412       7.14876080               0
 C    1.24561894      0.674836934       8.34295273               0
 C   0.626543343      0.977174222       7.09451294               0
 C   -1.21849716       2.11576796       8.30582047               0
 C  -0.616025627       1.72345066       7.07475185               0
 C   -2.45002604       2.84368372       8.29550934               0
 C   -3.06817555       3.19052434       7.05535555               0
 C   -4.89816666       4.27994347       8.23398876               0
 C   -4.29806614       3.92094421       7.06251478               0
 H   -5.84214211       4.83539009       8.23122692               0
 H    4.82052326      -1.42038846       6.23947334               0
 C    2.45142984     -0.159511924       5.93836069               0
 H    2.90045047     -0.496091723       4.99366474               0
 C    1.25077033      0.522227466       5.91368151               0
 H   0.785401106      0.697857916       4.93739605               0
 C   -1.26027071       2.08087063       5.87092972               0
 H  -0.825332463       1.79834199       4.90543270               0
 C   -2.44508123       2.79245710       5.86038637               0
 H   -2.90660095       3.04596519       4.89659357               0
 H   -4.75008869       4.18231440       6.09988403               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.711683869     out: d-111-Gph-Perp|G_1.24_0.00_-0.10.out                        
 H    5.97376633      -2.64110065       11.8045359               0
 C    5.50808048      -2.36525822       10.8535137               0
 H    3.85521317      -1.40794289       11.8257723               0
 C    4.29714727      -1.65887189       10.8592205               0
 H    2.16676545     -0.427463919       11.8076124               0
 C    1.73822057     -0.169435024       10.8368835               0
 H    8.70168209E-02  0.782891929       11.7770729               0
 C   0.544055641      0.525454819       10.8194294               0
 H   -1.59843254       1.76777864       11.7464523               0
 C   -2.01417732       2.01522064       10.7676563               0
 H   -3.71473908       3.00244617       11.6637115               0
 C   -3.22537827       2.72037315       10.7263498               0
 H    7.05826759      -3.26425028       9.64931202               0
 C    6.11265564      -2.71168494       9.66058064               0
 C    5.51490784      -2.35122323       8.42612553               0
 C    3.65810657      -1.27637529       9.66976166               0
 C    4.27279186      -1.62222135       8.42964458               0
 C    2.39836025     -0.541858256       9.65301514               0
 C    1.79909992     -0.178043827       8.41149521               0
 C   -8.04662704E-02  0.899722219       9.61693764               0
 C   0.558569133      0.542731404       8.39350128               0
 C   -1.34152222       1.63208163       9.59691238               0
 C   -1.91955400       1.97806168       8.33944416               0
 C   -3.79924607       3.05927753       9.51663876               0
 C   -3.16597199       2.69919062       8.29969120               0
 H   -4.74536896       3.61008501       9.47802353               0
 H    7.05683708      -3.24747443       7.21050835               0
 C    6.11407471      -2.68893790       7.20159101               0
 C    5.54101467      -2.33125401       5.97475100               0
 C    3.67128277      -1.25208366       7.19296026               0
 C    4.29874182      -1.60051215       5.96765947               0
 C    2.43404341     -0.529601336       7.17850256               0
 C    1.84004676     -0.167008817       5.94169140               0
 C   -3.49985361E-02  0.903105378       7.14258480               0
 C   0.600519836      0.551025629       5.92363310               0
 C   -1.27567005       1.61989439       7.12063408               0
 C   -1.86332774       1.97427857       5.87753105               0
 C   -3.72994399       3.03531218       7.05825377               0
 C   -3.11219668       2.69362307       5.84838343               0
 H   -4.67975235       3.58173585       7.03957748               0
 H    7.09299278      -3.22635865       4.76158714               0
 C    6.14951420      -2.67053795       4.74485302               0
 C    5.57885551      -2.32814312       3.52419686               0
 C    3.70526719      -1.24044204       4.72994995               0
 C    4.33384466      -1.60624874       3.50775719               0
 C    2.46917248     -0.521829307       4.71123457               0
 C    1.86799085     -0.178702146       3.47061777               0
 C    6.78563118E-03  0.903862298       4.67500353               0
 C   0.630618989      0.537939787       3.45242643               0
 C   -1.23070931       1.62071705       4.65732479               0
 C   -1.82992840       1.97355819       3.41674781               0
 C   -3.68189454       3.03627801       4.60120583               0
 C   -3.07469487       2.69621205       3.39736247               0
 H   -4.63141251       3.58201551       4.59025621               0
 H    7.14620781      -3.22141385       2.30255437               0
 C    6.19135761      -2.68584633       2.27817369               0
 C    5.59533882      -2.37781954       1.08989179               0
 C    3.72470927      -1.27872860       2.26913643               0
 C    4.34612370      -1.68347442       1.04876089               0
 C    2.48561907     -0.565163076       2.24295282               0
 C    1.86654329     -0.262825787      0.994513154               0
 C    2.15028524E-02  0.875767827       2.20582032               0
 C   0.623974383      0.483450681      0.974751949               0
 C   -1.21002603       1.60368371       2.19550943               0
 C   -1.82817554       1.95052433      0.955355644               0
 C   -3.65816665       3.03994322       2.13398862               0
 C   -3.05806613       2.68094420      0.962514877               0
 H   -4.60214233       3.59538984       2.13122725               0
 H    6.06052303      -2.66038847      0.139473110               0
 C    3.69142985      -1.39951193     -0.161639184               0
 H    4.14045048      -1.73609173      -1.10633528               0
 C    2.49077034     -0.717772543     -0.186318606               0
 H    2.02540112     -0.542142093      -1.16260386               0
 C   -2.02707052E-02  0.840870738     -0.229070067               0
 H   0.414667547      0.558341980      -1.19456756               0
 C   -1.20508122       1.55245697     -0.239613801               0
 H   -1.66660094       1.80596530      -1.20340657               0
 H   -3.51008868       2.94231439      -1.15782022E-04           0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.681976378     out: d-111-Gph-Perp|G_1.24_0.00_0.30.out                         
 H    5.97376633      -2.64110065       12.2045364               0
 C    5.50808048      -2.36525822       11.2535143               0
 H    3.85521317      -1.40794289       12.2257729               0
 C    4.29714727      -1.65887189       11.2592211               0
 H    2.16676545     -0.427463919       12.2076130               0
 C    1.73822057     -0.169435024       11.2368841               0
 H    8.70168209E-02  0.782891929       12.1770735               0
 C   0.544055641      0.525454819       11.2194300               0
 H   -1.59843254       1.76777864       12.1464529               0
 C   -2.01417732       2.01522064       11.1676569               0
 H   -3.71473908       3.00244617       12.0637121               0
 C   -3.22537827       2.72037315       11.1263504               0
 H    7.05826759      -3.26425028       10.0493126               0
 C    6.11265564      -2.71168494       10.0605812               0
 C    5.51490784      -2.35122323       8.82612610               0
 C    3.65810657      -1.27637529       10.0697622               0
 C    4.27279186      -1.62222135       8.82964516               0
 C    2.39836025     -0.541858256       10.0530157               0
 C    1.79909992     -0.178043827       8.81149578               0
 C   -8.04662704E-02  0.899722219       10.0169382               0
 C   0.558569133      0.542731404       8.79350185               0
 C   -1.34152222       1.63208163       9.99691296               0
 C   -1.91955400       1.97806168       8.73944473               0
 C   -3.79924607       3.05927753       9.91663933               0
 C   -3.16597199       2.69919062       8.69969177               0
 H   -4.74536896       3.61008501       9.87802410               0
 H    7.05683708      -3.24747443       7.61050844               0
 C    6.11407471      -2.68893790       7.60159111               0
 C    5.54101467      -2.33125401       6.37475109               0
 C    3.67128277      -1.25208366       7.59296036               0
 C    4.29874182      -1.60051215       6.36765957               0
 C    2.43404341     -0.529601336       7.57850266               0
 C    1.84004676     -0.167008817       6.34169149               0
 C   -3.49985361E-02  0.903105378       7.54258490               0
 C   0.600519836      0.551025629       6.32363319               0
 C   -1.27567005       1.61989439       7.52063417               0
 C   -1.86332774       1.97427857       6.27753115               0
 C   -3.72994399       3.03531218       7.45825386               0
 C   -3.11219668       2.69362307       6.24838352               0
 H   -4.67975235       3.58173585       7.43957758               0
 H    7.09299278      -3.22635865       5.16158724               0
 C    6.14951420      -2.67053795       5.14485312               0
 C    5.57885551      -2.32814312       3.92419672               0
 C    3.70526719      -1.24044204       5.12995005               0
 C    4.33384466      -1.60624874       3.90775704               0
 C    2.46917248     -0.521829307       5.11123466               0
 C    1.86799085     -0.178702146       3.87061763               0
 C    6.78563118E-03  0.903862298       5.07500362               0
 C   0.630618989      0.537939787       3.85242629               0
 C   -1.23070931       1.62071705       5.05732489               0
 C   -1.82992840       1.97355819       3.81674767               0
 C   -3.68189454       3.03627801       5.00120592               0
 C   -3.07469487       2.69621205       3.79736233               0
 H   -4.63141251       3.58201551       4.99025631               0
 H    7.14620781      -3.22141385       2.70255423               0
 C    6.19135761      -2.68584633       2.67817354               0
 C    5.59533882      -2.37781954       1.48989177               0
 C    3.72470927      -1.27872860       2.66913629               0
 C    4.34612370      -1.68347442       1.44876099               0
 C    2.48561907     -0.565163076       2.64295268               0
 C    1.86654329     -0.262825787       1.39451313               0
 C    2.15028524E-02  0.875767827       2.60582018               0
 C   0.623974383      0.483450681       1.37475204               0
 C   -1.21002603       1.60368371       2.59550929               0
 C   -1.82817554       1.95052433       1.35535574               0
 C   -3.65816665       3.03994322       2.53398848               0
 C   -3.05806613       2.68094420       1.36251497               0
 H   -4.60214233       3.59538984       2.53122711               0
 H    6.06052303      -2.66038847      0.539473116               0
 C    3.69142985      -1.39951193      0.238360837               0
 H    4.14045048      -1.73609173     -0.706335247               0
 C    2.49077034     -0.717772543      0.213681400               0
 H    2.02540112     -0.542142093     -0.762603819               0
 C   -2.02707052E-02  0.840870738      0.170929939               0
 H   0.414667547      0.558341980     -0.794567525               0
 C   -1.20508122       1.55245697      0.160386220               0
 H   -1.66660094       1.80596530     -0.803406537               0
 H   -3.51008868       2.94231439      0.399884224               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.572286010     out: d-111-Gph-Perp|G_1.24_0.00_0.60.out                         
 H    5.97376633      -2.64110065       12.5045366               0
 C    5.50808048      -2.36525822       11.5535145               0
 H    3.85521317      -1.40794289       12.5257730               0
 C    4.29714727      -1.65887189       11.5592213               0
 H    2.16676545     -0.427463919       12.5076132               0
 C    1.73822057     -0.169435024       11.5368843               0
 H    8.70168209E-02  0.782891929       12.4770737               0
 C   0.544055641      0.525454819       11.5194302               0
 H   -1.59843254       1.76777864       12.4464531               0
 C   -2.01417732       2.01522064       11.4676571               0
 H   -3.71473908       3.00244617       12.3637123               0
 C   -3.22537827       2.72037315       11.4263506               0
 H    7.05826759      -3.26425028       10.3493128               0
 C    6.11265564      -2.71168494       10.3605814               0
 C    5.51490784      -2.35122323       9.12612629               0
 C    3.65810657      -1.27637529       10.3697624               0
 C    4.27279186      -1.62222135       9.12964535               0
 C    2.39836025     -0.541858256       10.3530159               0
 C    1.79909992     -0.178043827       9.11149597               0
 C   -8.04662704E-02  0.899722219       10.3169384               0
 C   0.558569133      0.542731404       9.09350204               0
 C   -1.34152222       1.63208163       10.2969131               0
 C   -1.91955400       1.97806168       9.03944492               0
 C   -3.79924607       3.05927753       10.2166395               0
 C   -3.16597199       2.69919062       8.99969196               0
 H   -4.74536896       3.61008501       10.1780243               0
 H    7.05683708      -3.24747443       7.91050816               0
 C    6.11407471      -2.68893790       7.90159082               0
 C    5.54101467      -2.33125401       6.67475080               0
 C    3.67128277      -1.25208366       7.89296007               0
 C    4.29874182      -1.60051215       6.66765928               0
 C    2.43404341     -0.529601336       7.87850237               0
 C    1.84004676     -0.167008817       6.64169121               0
 C   -3.49985361E-02  0.903105378       7.84258461               0
 C   0.600519836      0.551025629       6.62363291               0
 C   -1.27567005       1.61989439       7.82063389               0
 C   -1.86332774       1.97427857       6.57753086               0
 C   -3.72994399       3.03531218       7.75825357               0
 C   -3.11219668       2.69362307       6.54838324               0
 H   -4.67975235       3.58173585       7.73957729               0
 H    7.09299278      -3.22635865       5.46158695               0
 C    6.14951420      -2.67053795       5.44485283               0
 C    5.57885551      -2.32814312       4.22419691               0
 C    3.70526719      -1.24044204       5.42994976               0
 C    4.33384466      -1.60624874       4.20775700               0
 C    2.46917248     -0.521829307       5.41123438               0
 C    1.86799085     -0.178702146       4.17061758               0
 C    6.78563118E-03  0.903862298       5.37500334               0
 C   0.630618989      0.537939787       4.15242624               0
 C   -1.23070931       1.62071705       5.35732460               0
 C   -1.82992840       1.97355819       4.11674786               0
 C   -3.68189454       3.03627801       5.30120564               0
 C   -3.07469487       2.69621205       4.09736252               0
 H   -4.63141251       3.58201551       5.29025602               0
 H    7.14620781      -3.22141385       3.00255442               0
 C    6.19135761      -2.68584633       2.97817373               0
 C    5.59533882      -2.37781954       1.78989184               0
 C    3.72470927      -1.27872860       2.96913624               0
 C    4.34612370      -1.68347442       1.74876094               0
 C    2.48561907     -0.565163076       2.94295263               0
 C    1.86654329     -0.262825787       1.69451320               0
 C    2.15028524E-02  0.875767827       2.90582037               0
 C   0.623974383      0.483450681       1.67475200               0
 C   -1.21002603       1.60368371       2.89550924               0
 C   -1.82817554       1.95052433       1.65535569               0
 C   -3.65816665       3.03994322       2.83398867               0
 C   -3.05806613       2.68094420       1.66251493               0
 H   -4.60214233       3.59538984       2.83122730               0
 H    6.06052303      -2.66038847      0.839473128               0
 C    3.69142985      -1.39951193      0.538360834               0
 H    4.14045048      -1.73609173     -0.406335235               0
 C    2.49077034     -0.717772543      0.513681412               0
 H    2.02540112     -0.542142093     -0.462603807               0
 C   -2.02707052E-02  0.840870738      0.470929950               0
 H   0.414667547      0.558341980     -0.494567513               0
 C   -1.20508122       1.55245697      0.460386217               0
 H   -1.66660094       1.80596530     -0.503406525               0
 H   -3.51008868       2.94231439      0.699884236               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.422092438     out: d-111-Gph-Perp|G_1.24_0.00_1.00.out                         
 H    5.97376633      -2.64110065       12.9045362               0
 C    5.50808048      -2.36525822       11.9535141               0
 H    3.85521317      -1.40794289       12.9257727               0
 C    4.29714727      -1.65887189       11.9592209               0
 H    2.16676545     -0.427463919       12.9076128               0
 C    1.73822057     -0.169435024       11.9368839               0
 H    8.70168209E-02  0.782891929       12.8770733               0
 C   0.544055641      0.525454819       11.9194298               0
 H   -1.59843254       1.76777864       12.8464527               0
 C   -2.01417732       2.01522064       11.8676567               0
 H   -3.71473908       3.00244617       12.7637119               0
 C   -3.22537827       2.72037315       11.8263502               0
 H    7.05826759      -3.26425028       10.7493124               0
 C    6.11265564      -2.71168494       10.7605810               0
 C    5.51490784      -2.35122323       9.52612591               0
 C    3.65810657      -1.27637529       10.7697620               0
 C    4.27279186      -1.62222135       9.52964497               0
 C    2.39836025     -0.541858256       10.7530155               0
 C    1.79909992     -0.178043827       9.51149559               0
 C   -8.04662704E-02  0.899722219       10.7169380               0
 C   0.558569133      0.542731404       9.49350166               0
 C   -1.34152222       1.63208163       10.6969128               0
 C   -1.91955400       1.97806168       9.43944454               0
 C   -3.79924607       3.05927753       10.6166391               0
 C   -3.16597199       2.69919062       9.39969158               0
 H   -4.74536896       3.61008501       10.5780239               0
 H    7.05683708      -3.24747443       8.31050873               0
 C    6.11407471      -2.68893790       8.30159092               0
 C    5.54101467      -2.33125401       7.07475090               0
 C    3.67128277      -1.25208366       8.29296017               0
 C    4.29874182      -1.60051215       7.06765938               0
 C    2.43404341     -0.529601336       8.27850246               0
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 C   -1.27567005       1.61989439       8.22063446               0
 C   -1.86332774       1.97427857       6.97753096               0
 C   -3.72994399       3.03531218       8.15825367               0
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 H    7.09299278      -3.22635865       5.86158705               0
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 C    5.57885551      -2.32814312       4.62419701               0
 C    3.70526719      -1.24044204       5.82994986               0
 C    4.33384466      -1.60624874       4.60775709               0
 C    2.46917248     -0.521829307       5.81123447               0
 C    1.86799085     -0.178702146       4.57061768               0
 C    6.78563118E-03  0.903862298       5.77500343               0
 C   0.630618989      0.537939787       4.55242634               0
 C   -1.23070931       1.62071705       5.75732470               0
 C   -1.82992840       1.97355819       4.51674747               0
 C   -3.68189454       3.03627801       5.70120573               0
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 H    7.14620781      -3.22141385       3.40255427               0
 C    6.19135761      -2.68584633       3.37817359               0
 C    5.59533882      -2.37781954       2.18989182               0
 C    3.72470927      -1.27872860       3.36913633               0
 C    4.34612370      -1.68347442       2.14876080               0
 C    2.48561907     -0.565163076       3.34295273               0
 C    1.86654329     -0.262825787       2.09451318               0
 C    2.15028524E-02  0.875767827       3.30582023               0
 C   0.623974383      0.483450681       2.07475185               0
 C   -1.21002603       1.60368371       3.29550934               0
 C   -1.82817554       1.95052433       2.05535555               0
 C   -3.65816665       3.03994322       3.23398852               0
 C   -3.05806613       2.68094420       2.06251478               0
 H   -4.60214233       3.59538984       3.23122716               0
 H    6.06052303      -2.66038847       1.23947310               0
 C    3.69142985      -1.39951193      0.938360810               0
 H    4.14045048      -1.73609173      -6.33525848E-03           0
 C    2.49077034     -0.717772543      0.913681388               0
 H    2.02540112     -0.542142093      -6.26038313E-02           0
 C   -2.02707052E-02  0.840870738      0.870929956               0
 H   0.414667547      0.558341980      -9.45675373E-02           0
 C   -1.20508122       1.55245697      0.860386193               0
 H   -1.66660094       1.80596530     -0.103406549               0
 H   -3.51008868       2.94231439       1.09988427               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.249012023     out: d-111-Gph-Perp|G_1.24_0.00_1.60.out                         
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 C    5.51490784      -2.35122323       10.1261263               0
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 C    4.27279186      -1.62222135       10.1296453               0
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 C    4.34612370      -1.68347442       2.74876094               0
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 C    1.86654329     -0.262825787       2.69451332               0
 C    2.15028524E-02  0.875767827       3.90582037               0
 C   0.623974383      0.483450681       2.67475200               0
 C   -1.21002603       1.60368371       3.89550924               0
 C   -1.82817554       1.95052433       2.65535569               0
 C   -3.65816665       3.03994322       3.83398867               0
 C   -3.05806613       2.68094420       2.66251493               0
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 H    4.14045048      -1.73609173      0.593664765               0
 C    2.49077034     -0.717772543       1.51368141               0
 H    2.02540112     -0.542142093      0.537396193               0
 C   -2.02707052E-02  0.840870738       1.47092998               0
 H   0.414667547      0.558341980      0.505432487               0
 C   -1.20508122       1.55245697       1.46038628               0
 H   -1.66660094       1.80596530      0.496593475               0
 H   -3.51008868       2.94231439       1.69988430               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.121315889     out: d-111-Gph-Perp|G_1.24_0.00_2.40.out                         
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 H    2.02540112     -0.542142093       1.33739626               0
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 H   -1.66660094       1.80596530       1.29659355               0
 H   -3.51008868       2.94231439       2.49988437               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
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 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
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 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead:  -5.00726402E-02 out: d-111-Gph-Perp|G_1.24_0.00_3.40.out                         
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 C   -2.02707052E-02  0.840870738       3.27093005               0
 H   0.414667547      0.558341980       2.30543256               0
 C   -1.20508122       1.55245697       3.26038623               0
 H   -1.66660094       1.80596530       2.29659367               0
 H   -3.51008868       2.94231439       3.49988437               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead:  -4.99320013E-05 out: d-111-Gph-Perp|G_1.24_0.00_6.00.out                         
 H    5.97376633      -2.64110065       17.9045372               0
 C    5.50808048      -2.36525822       16.9535141               0
 H    3.85521317      -1.40794289       17.9257736               0
 C    4.29714727      -1.65887189       16.9592209               0
 H    2.16676545     -0.427463919       17.9076118               0
 C    1.73822057     -0.169435024       16.9368839               0
 H    8.70168209E-02  0.782891929       17.8770733               0
 C   0.544055641      0.525454819       16.9194298               0
 H   -1.59843254       1.76777864       17.8464527               0
 C   -2.01417732       2.01522064       16.8676567               0
 H   -3.71473908       3.00244617       17.7637119               0
 C   -3.22537827       2.72037315       16.8263512               0
 H    7.05826759      -3.26425028       15.7493124               0
 C    6.11265564      -2.71168494       15.7605810               0
 C    5.51490784      -2.35122323       14.5261259               0
 C    3.65810657      -1.27637529       15.7697620               0
 C    4.27279186      -1.62222135       14.5296450               0
 C    2.39836025     -0.541858256       15.7530155               0
 C    1.79909992     -0.178043827       14.5114956               0
 C   -8.04662704E-02  0.899722219       15.7169380               0
 C   0.558569133      0.542731404       14.4935017               0
 C   -1.34152222       1.63208163       15.6969128               0
 C   -1.91955400       1.97806168       14.4394445               0
 C   -3.79924607       3.05927753       15.6166391               0
 C   -3.16597199       2.69919062       14.3996916               0
 H   -4.74536896       3.61008501       15.5780239               0
 H    7.05683708      -3.24747443       13.3105087               0
 C    6.11407471      -2.68893790       13.3015909               0
 C    5.54101467      -2.33125401       12.0747509               0
 C    3.67128277      -1.25208366       13.2929602               0
 C    4.29874182      -1.60051215       12.0676594               0
 C    2.43404341     -0.529601336       13.2785025               0
 C    1.84004676     -0.167008817       12.0416908               0
 C   -3.49985361E-02  0.903105378       13.2425842               0
 C   0.600519836      0.551025629       12.0236330               0
 C   -1.27567005       1.61989439       13.2206345               0
 C   -1.86332774       1.97427857       11.9775314               0
 C   -3.72994399       3.03531218       13.1582537               0
 C   -3.11219668       2.69362307       11.9483833               0
 H   -4.67975235       3.58173585       13.1395779               0
 H    7.09299278      -3.22635865       10.8615875               0
 C    6.14951420      -2.67053795       10.8448524               0
 C    5.57885551      -2.32814312       9.62419701               0
 C    3.70526719      -1.24044204       10.8299503               0
 C    4.33384466      -1.60624874       9.60775757               0
 C    2.46917248     -0.521829307       10.8112345               0
 C    1.86799085     -0.178702146       9.57061768               0
 C    6.78563118E-03  0.903862298       10.7750034               0
 C   0.630618989      0.537939787       9.55242634               0
 C   -1.23070931       1.62071705       10.7573242               0
 C   -1.82992840       1.97355819       9.51674747               0
 C   -3.68189454       3.03627801       10.7012062               0
 C   -3.07469487       2.69621205       9.49736214               0
 H   -4.63141251       3.58201551       10.6902561               0
 H    7.14620781      -3.22141385       8.40255451               0
 C    6.19135761      -2.68584633       8.37817383               0
 C    5.59533882      -2.37781954       7.18989182               0
 C    3.72470927      -1.27872860       8.36913681               0
 C    4.34612370      -1.68347442       7.14876080               0
 C    2.48561907     -0.565163076       8.34295273               0
 C    1.86654329     -0.262825787       7.09451294               0
 C    2.15028524E-02  0.875767827       8.30582047               0
 C   0.623974383      0.483450681       7.07475185               0
 C   -1.21002603       1.60368371       8.29550934               0
 C   -1.82817554       1.95052433       7.05535555               0
 C   -3.65816665       3.03994322       8.23398876               0
 C   -3.05806613       2.68094420       7.06251478               0
 H   -4.60214233       3.59538984       8.23122692               0
 H    6.06052303      -2.66038847       6.23947334               0
 C    3.69142985      -1.39951193       5.93836069               0
 H    4.14045048      -1.73609173       4.99366474               0
 C    2.49077034     -0.717772543       5.91368151               0
 H    2.02540112     -0.542142093       4.93739605               0
 C   -2.02707052E-02  0.840870738       5.87092972               0
 H   0.414667547      0.558341980       4.90543270               0
 C   -1.20508122       1.55245697       5.86038637               0
 H   -1.66660094       1.80596530       4.89659357               0
 H   -3.51008868       2.94231439       6.09988403               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.708156466     out: d-111-Gph-Perp|G_1.24_1.24_-0.10.out                        
 H    5.97376633      -1.40110064       11.8045359               0
 C    5.50808048      -1.12525821       10.8535137               0
 H    3.85521317     -0.167942882       11.8257723               0
 C    4.29714727     -0.418871880       10.8592205               0
 H    2.16676545      0.812536120       11.8076124               0
 C    1.73822057       1.07056499       10.8368835               0
 H    8.70168209E-02   2.02289200       11.7770729               0
 C   0.544055641       1.76545477       10.8194294               0
 H   -1.59843254       3.00777864       11.7464523               0
 C   -2.01417732       3.25522065       10.7676563               0
 H   -3.71473908       4.24244595       11.6637115               0
 C   -3.22537827       3.96037316       10.7263498               0
 H    7.05826759      -2.02425027       9.64931202               0
 C    6.11265564      -1.47168493       9.66058064               0
 C    5.51490784      -1.11122322       8.42612553               0
 C    3.65810657      -3.63752842E-02   9.66976166               0
 C    4.27279186     -0.382221341       8.42964458               0
 C    2.39836025      0.698141754       9.65301514               0
 C    1.79909992       1.06195617       8.41149521               0
 C   -8.04662704E-02   2.13972235       9.61693764               0
 C   0.558569133       1.78273141       8.39350128               0
 C   -1.34152222       2.87208176       9.59691238               0
 C   -1.91955400       3.21806169       8.33944416               0
 C   -3.79924607       4.29927731       9.51663876               0
 C   -3.16597199       3.93919063       8.29969120               0
 H   -4.74536896       4.85008526       9.47802353               0
 H    7.05683708      -2.00747442       7.21050835               0
 C    6.11407471      -1.44893789       7.20159101               0
 C    5.54101467      -1.09125400       5.97475100               0
 C    3.67128277      -1.20836496E-02   7.19296026               0
 C    4.29874182     -0.360512137       5.96765947               0
 C    2.43404341      0.710398674       7.17850256               0
 C    1.84004676       1.07299113       5.94169140               0
 C   -3.49985361E-02   2.14310551       7.14258480               0
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 C   -1.27567005       2.85989428       7.12063408               0
 C   -1.86332774       3.21427870       5.87753105               0
 C   -3.72994399       4.27531242       7.05825377               0
 C   -3.11219668       3.93362308       5.84838343               0
 H   -4.67975235       4.82173586       7.03957748               0
 H    7.09299278      -1.98635864       4.76158714               0
 C    6.14951420      -1.43053794       4.74485302               0
 C    5.57885551      -1.08814311       3.52419686               0
 C    3.70526719      -4.42028046E-04   4.72994995               0
 C    4.33384466     -0.366248727       3.50775719               0
 C    2.46917248      0.718170702       4.71123457               0
 C    1.86799085       1.06129789       3.47061777               0
 C    6.78563118E-03   2.14386225       4.67500353               0
 C   0.630618989       1.77793980       3.45242643               0
 C   -1.23070931       2.86071706       4.65732479               0
 C   -1.82992840       3.21355820       3.41674781               0
 C   -3.68189454       4.27627802       4.60120583               0
 C   -3.07469487       3.93621206       3.39736247               0
 H   -4.63141251       4.82201576       4.59025621               0
 H    7.14620781      -1.98141384       2.30255437               0
 C    6.19135761      -1.44584632       2.27817369               0
 C    5.59533882      -1.13781953       1.08989179               0
 C    3.72470927      -3.87285948E-02   2.26913643               0
 C    4.34612370     -0.443474412       1.04876089               0
 C    2.48561907      0.674836934       2.24295282               0
 C    1.86654329      0.977174222      0.994513154               0
 C    2.15028524E-02   2.11576796       2.20582032               0
 C   0.623974383       1.72345066      0.974751949               0
 C   -1.21002603       2.84368372       2.19550943               0
 C   -1.82817554       3.19052434      0.955355644               0
 C   -3.65816665       4.27994347       2.13398862               0
 C   -3.05806613       3.92094421      0.962514877               0
 H   -4.60214233       4.83539009       2.13122725               0
 H    6.06052303      -1.42038846      0.139473110               0
 C    3.69142985     -0.159511924     -0.161639184               0
 H    4.14045048     -0.496091723      -1.10633528               0
 C    2.49077034      0.522227466     -0.186318606               0
 H    2.02540112      0.697857916      -1.16260386               0
 C   -2.02707052E-02   2.08087063     -0.229070067               0
 H   0.414667547       1.79834199      -1.19456756               0
 C   -1.20508122       2.79245710     -0.239613801               0
 H   -1.66660094       3.04596519      -1.20340657               0
 H   -3.51008868       4.18231440      -1.15782022E-04           0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.666862488     out: d-111-Gph-Perp|G_1.24_1.24_0.30.out                         
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 C    5.50808048      -1.12525821       11.2535143               0
 H    3.85521317     -0.167942882       12.2257729               0
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 H    2.16676545      0.812536120       12.2076130               0
 C    1.73822057       1.07056499       11.2368841               0
 H    8.70168209E-02   2.02289200       12.1770735               0
 C   0.544055641       1.76545477       11.2194300               0
 H   -1.59843254       3.00777864       12.1464529               0
 C   -2.01417732       3.25522065       11.1676569               0
 H   -3.71473908       4.24244595       12.0637121               0
 C   -3.22537827       3.96037316       11.1263504               0
 H    7.05826759      -2.02425027       10.0493126               0
 C    6.11265564      -1.47168493       10.0605812               0
 C    5.51490784      -1.11122322       8.82612610               0
 C    3.65810657      -3.63752842E-02   10.0697622               0
 C    4.27279186     -0.382221341       8.82964516               0
 C    2.39836025      0.698141754       10.0530157               0
 C    1.79909992       1.06195617       8.81149578               0
 C   -8.04662704E-02   2.13972235       10.0169382               0
 C   0.558569133       1.78273141       8.79350185               0
 C   -1.34152222       2.87208176       9.99691296               0
 C   -1.91955400       3.21806169       8.73944473               0
 C   -3.79924607       4.29927731       9.91663933               0
 C   -3.16597199       3.93919063       8.69969177               0
 H   -4.74536896       4.85008526       9.87802410               0
 H    7.05683708      -2.00747442       7.61050844               0
 C    6.11407471      -1.44893789       7.60159111               0
 C    5.54101467      -1.09125400       6.37475109               0
 C    3.67128277      -1.20836496E-02   7.59296036               0
 C    4.29874182     -0.360512137       6.36765957               0
 C    2.43404341      0.710398674       7.57850266               0
 C    1.84004676       1.07299113       6.34169149               0
 C   -3.49985361E-02   2.14310551       7.54258490               0
 C   0.600519836       1.79102564       6.32363319               0
 C   -1.27567005       2.85989428       7.52063417               0
 C   -1.86332774       3.21427870       6.27753115               0
 C   -3.72994399       4.27531242       7.45825386               0
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 H    7.09299278      -1.98635864       5.16158724               0
 C    6.14951420      -1.43053794       5.14485312               0
 C    5.57885551      -1.08814311       3.92419672               0
 C    3.70526719      -4.42028046E-04   5.12995005               0
 C    4.33384466     -0.366248727       3.90775704               0
 C    2.46917248      0.718170702       5.11123466               0
 C    1.86799085       1.06129789       3.87061763               0
 C    6.78563118E-03   2.14386225       5.07500362               0
 C   0.630618989       1.77793980       3.85242629               0
 C   -1.23070931       2.86071706       5.05732489               0
 C   -1.82992840       3.21355820       3.81674767               0
 C   -3.68189454       4.27627802       5.00120592               0
 C   -3.07469487       3.93621206       3.79736233               0
 H   -4.63141251       4.82201576       4.99025631               0
 H    7.14620781      -1.98141384       2.70255423               0
 C    6.19135761      -1.44584632       2.67817354               0
 C    5.59533882      -1.13781953       1.48989177               0
 C    3.72470927      -3.87285948E-02   2.66913629               0
 C    4.34612370     -0.443474412       1.44876099               0
 C    2.48561907      0.674836934       2.64295268               0
 C    1.86654329      0.977174222       1.39451313               0
 C    2.15028524E-02   2.11576796       2.60582018               0
 C   0.623974383       1.72345066       1.37475204               0
 C   -1.21002603       2.84368372       2.59550929               0
 C   -1.82817554       3.19052434       1.35535574               0
 C   -3.65816665       4.27994347       2.53398848               0
 C   -3.05806613       3.92094421       1.36251497               0
 H   -4.60214233       4.83539009       2.53122711               0
 H    6.06052303      -1.42038846      0.539473116               0
 C    3.69142985     -0.159511924      0.238360837               0
 H    4.14045048     -0.496091723     -0.706335247               0
 C    2.49077034      0.522227466      0.213681400               0
 H    2.02540112      0.697857916     -0.762603819               0
 C   -2.02707052E-02   2.08087063      0.170929939               0
 H   0.414667547       1.79834199     -0.794567525               0
 C   -1.20508122       2.79245710      0.160386220               0
 H   -1.66660094       3.04596519     -0.803406537               0
 H   -3.51008868       4.18231440      0.399884224               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.558593094     out: d-111-Gph-Perp|G_1.24_1.24_0.60.out                         
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 C    5.50808048      -1.12525821       11.5535145               0
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 H    2.16676545      0.812536120       12.5076132               0
 C    1.73822057       1.07056499       11.5368843               0
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 C   0.544055641       1.76545477       11.5194302               0
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 C   -3.68189454       4.27627802       5.30120564               0
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 H   -4.63141251       4.82201576       5.29025602               0
 H    7.14620781      -1.98141384       3.00255442               0
 C    6.19135761      -1.44584632       2.97817373               0
 C    5.59533882      -1.13781953       1.78989184               0
 C    3.72470927      -3.87285948E-02   2.96913624               0
 C    4.34612370     -0.443474412       1.74876094               0
 C    2.48561907      0.674836934       2.94295263               0
 C    1.86654329      0.977174222       1.69451320               0
 C    2.15028524E-02   2.11576796       2.90582037               0
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 H    2.02540112      0.697857916     -0.462603807               0
 C   -2.02707052E-02   2.08087063      0.470929950               0
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 H   -1.66660094       3.04596519     -0.503406525               0
 H   -3.51008868       4.18231440      0.699884236               0
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 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
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 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
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 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.411102146     out: d-111-Gph-Perp|G_1.24_1.24_1.00.out                         
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 H   -4.60214233       4.83539009       3.23122716               0
 H    6.06052303      -1.42038846       1.23947310               0
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 H   -1.66660094       3.04596519     -0.103406549               0
 H   -3.51008868       4.18231440       1.09988427               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
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 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.241672307     out: d-111-Gph-Perp|G_1.24_1.24_1.60.out                         
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 H    7.09299278      -1.98635864       6.46158695               0
 C    6.14951420      -1.43053794       6.44485283               0
 C    5.57885551      -1.08814311       5.22419691               0
 C    3.70526719      -4.42028046E-04   6.42994976               0
 C    4.33384466     -0.366248727       5.20775700               0
 C    2.46917248      0.718170702       6.41123438               0
 C    1.86799085       1.06129789       5.17061758               0
 C    6.78563118E-03   2.14386225       6.37500334               0
 C   0.630618989       1.77793980       5.15242624               0
 C   -1.23070931       2.86071706       6.35732460               0
 C   -1.82992840       3.21355820       5.11674786               0
 C   -3.68189454       4.27627802       6.30120564               0
 C   -3.07469487       3.93621206       5.09736252               0
 H   -4.63141251       4.82201576       6.29025602               0
 H    7.14620781      -1.98141384       4.00255442               0
 C    6.19135761      -1.44584632       3.97817373               0
 C    5.59533882      -1.13781953       2.78989172               0
 C    3.72470927      -3.87285948E-02   3.96913624               0
 C    4.34612370     -0.443474412       2.74876094               0
 C    2.48561907      0.674836934       3.94295263               0
 C    1.86654329      0.977174222       2.69451332               0
 C    2.15028524E-02   2.11576796       3.90582037               0
 C   0.623974383       1.72345066       2.67475200               0
 C   -1.21002603       2.84368372       3.89550924               0
 C   -1.82817554       3.19052434       2.65535569               0
 C   -3.65816665       4.27994347       3.83398867               0
 C   -3.05806613       3.92094421       2.66251493               0
 H   -4.60214233       4.83539009       3.83122730               0
 H    6.06052303      -1.42038846       1.83947313               0
 C    3.69142985     -0.159511924       1.53836083               0
 H    4.14045048     -0.496091723      0.593664765               0
 C    2.49077034      0.522227466       1.51368141               0
 H    2.02540112      0.697857916      0.537396193               0
 C   -2.02707052E-02   2.08087063       1.47092998               0
 H   0.414667547       1.79834199      0.505432487               0
 C   -1.20508122       2.79245710       1.46038628               0
 H   -1.66660094       3.04596519      0.496593475               0
 H   -3.51008868       4.18231440       1.69988430               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
         160
 Ead: -0.117114581     out: d-111-Gph-Perp|G_1.24_1.24_2.40.out                         
 H    5.97376633      -1.40110064       14.3045368               0
 C    5.50808048      -1.12525821       13.3535137               0
 H    3.85521317     -0.167942882       14.3257732               0
 C    4.29714727     -0.418871880       13.3592205               0
 H    2.16676545      0.812536120       14.3076134               0
 C    1.73822057       1.07056499       13.3368835               0
 H    8.70168209E-02   2.02289200       14.2770729               0
 C   0.544055641       1.76545477       13.3194294               0
 H   -1.59843254       3.00777864       14.2464523               0
 C   -2.01417732       3.25522065       13.2676563               0
 H   -3.71473908       4.24244595       14.1637115               0
 C   -3.22537827       3.96037316       13.2263508               0
 H    7.05826759      -2.02425027       12.1493130               0
 C    6.11265564      -1.47168493       12.1605816               0
 C    5.51490784      -1.11122322       10.9261265               0
 C    3.65810657      -3.63752842E-02   12.1697617               0
 C    4.27279186     -0.382221341       10.9296455               0
 C    2.39836025      0.698141754       12.1530151               0
 C    1.79909992       1.06195617       10.9114952               0
 C   -8.04662704E-02   2.13972235       12.1169376               0
 C   0.558569133       1.78273141       10.8935013               0
 C   -1.34152222       2.87208176       12.0969124               0
 C   -1.91955400       3.21806169       10.8394451               0
 C   -3.79924607       4.29927731       12.0166397               0
 C   -3.16597199       3.93919063       10.7996922               0
 H   -4.74536896       4.85008526       11.9780235               0
 H    7.05683708      -2.00747442       9.71050835               0
 C    6.11407471      -1.44893789       9.70159149               0
 C    5.54101467      -1.09125400       8.47475052               0
 C    3.67128277      -1.20836496E-02   9.69296074               0
 C    4.29874182     -0.360512137       8.46765900               0
 C    2.43404341      0.710398674       9.67850304               0
 C    1.84004676       1.07299113       8.44169140               0
 C   -3.49985361E-02   2.14310551       9.64258480               0
 C   0.600519836       1.79102564       8.42363358               0
 C   -1.27567005       2.85989428       9.62063408               0
 C   -1.86332774       3.21427870       8.37753105               0
 C   -3.72994399       4.27531242       9.55825424               0
 C   -3.11219668       3.93362308       8.34838295               0
 H   -4.67975235       4.82173586       9.53957748               0
 H    7.09299278      -1.98635864       7.26158714               0
 C    6.14951420      -1.43053794       7.24485302               0
 C    5.57885551      -1.08814311       6.02419662               0
 C    3.70526719      -4.42028046E-04   7.22994995               0
 C    4.33384466     -0.366248727       6.00775719               0
 C    2.46917248      0.718170702       7.21123457               0
 C    1.86799085       1.06129789       5.97061777               0
 C    6.78563118E-03   2.14386225       7.17500353               0
 C   0.630618989       1.77793980       5.95242643               0
 C   -1.23070931       2.86071706       7.15732479               0
 C   -1.82992840       3.21355820       5.91674805               0
 C   -3.68189454       4.27627802       7.10120583               0
 C   -3.07469487       3.93621206       5.89736271               0
 H   -4.63141251       4.82201576       7.09025621               0
 H    7.14620781      -1.98141384       4.80255413               0
 C    6.19135761      -1.44584632       4.77817345               0
 C    5.59533882      -1.13781953       3.58989191               0
 C    3.72470927      -3.87285948E-02   4.76913643               0
 C    4.34612370     -0.443474412       3.54876089               0
 C    2.48561907      0.674836934       4.74295282               0
 C    1.86654329      0.977174222       3.49451327               0
 C    2.15028524E-02   2.11576796       4.70582008               0
 C   0.623974383       1.72345066       3.47475195               0
 C   -1.21002603       2.84368372       4.69550943               0
 C   -1.82817554       3.19052434       3.45535564               0
 C   -3.65816665       4.27994347       4.63398838               0
 C   -3.05806613       3.92094421       3.46251488               0
 H   -4.60214233       4.83539009       4.63122749               0
 H    6.06052303      -1.42038846       2.63947320               0
 C    3.69142985     -0.159511924       2.33836102               0
 H    4.14045048     -0.496091723       1.39366484               0
 C    2.49077034      0.522227466       2.31368160               0
 H    2.02540112      0.697857916       1.33739626               0
 C   -2.02707052E-02   2.08087063       2.27093005               0
 H   0.414667547       1.79834199       1.30543256               0
 C   -1.20508122       2.79245710       2.26038623               0
 H   -1.66660094       3.04596519       1.29659355               0
 H   -3.51008868       4.18231440       2.49988437               0
 Cu  -5.20368290       4.90672827      -7.85337830               4
 Cu  -5.22670698       2.45668221      -7.88570356               6
 Cu  -5.20538473      -4.42150794E-03  -7.88689995               6
 Cu  -5.17167425      -2.46503472      -7.86385727               6
 Cu  -5.09563255      -4.91492796      -7.80577755               4
 Cu  -3.12105632       6.15555239      -7.87466764               5
 Cu  -3.10238099       3.72202444      -7.92777729               9
 Cu  -3.07751894       1.24993587      -7.90712881               9
 Cu  -3.05040812      -1.21084356      -7.89683676               9
 Cu  -3.02061796      -3.68393469      -7.89590263               9
 Cu  -2.98720765      -6.11811447      -7.81726074               5
 Cu  -1.02647269       7.37586403      -7.74201918               4
 Cu -0.983640850       4.97300816      -7.87464476               9
 Cu -0.949830592       2.50856185      -7.83835554               9
 Cu -0.926868975       4.45310846E-02  -7.82265234               9
 Cu   1.25929832      -3.63223076      -7.77236795               9
 Cu -0.896363616      -2.42265439      -7.81772470               9
 Cu -0.876916707      -4.88717365      -7.83160162               9
 Cu -0.867868483      -7.29173803      -7.67290163               4
 Cu   1.14513648       6.22284842      -7.73305225               6
 Cu   1.18015933       3.76498961      -7.80197001               9
 Cu   1.20854008       1.30422962      -7.77027559               9
 Cu   1.23516250      -1.17044938      -7.75885439               9
 Cu   1.27695608      -6.09029007      -7.67961979               6
 Cu   3.30145264       5.02020979      -7.68058634               6
 Cu   3.33321667       2.55729485      -7.73638391               9
 Cu   3.36181235       8.74271914E-02  -7.70840883               9
 Cu   3.38464165      -2.38010955      -7.71461296               9
 Cu   3.40531540      -4.84480238      -7.63700724               6
 Cu   5.45061731       3.80589771      -7.60306168               6
 Cu   5.49019670       1.33598900      -7.67983723               9
 Cu   5.51587629      -1.12273943      -7.66844654               9
 Cu   5.52688837      -3.59025097      -7.56801176               6
 Cu   7.56187105       2.55138755      -7.48815775               4
 Cu   7.60672092      0.124434702      -7.56103802               5
 Cu   7.61219025      -2.30271363      -7.47513533               4
 Cu  -4.60486698       3.72917676      -5.84814978               7
 Cu  -4.66829967       1.24806821      -5.83734989               9
 Cu  -4.63950396      -1.22275984      -5.82656002               9
 Cu  -4.51970434      -3.70039248      -5.81575012               7
 Cu  -2.49481916       5.04807043      -5.79393101               8
 Cu  -2.44724751       2.53017497      -5.78313112              12
 Cu  -2.42132759       3.61647904E-02  -5.77233982              12
 Cu  -2.39275193      -2.45174265      -5.76153994              12
 Cu  -2.38403344      -4.96938276      -5.75073099               8
 Cu -0.324017107       6.25727463      -5.73971987               7
 Cu -0.303955436       3.79340982      -5.72891998              12
 Cu -0.277340770       1.31262004      -5.71812010              12
 Cu -0.252754182      -1.18513000      -5.70732021              12
 Cu -0.223655254      -3.66900325      -5.69651985              12
 Cu -0.189552873      -6.13146210      -5.68572998               7
 Cu   1.88295364       5.12478304      -5.67468977               9
 Cu   1.86831129       2.57485223      -5.66389990              12
 Cu   1.89995170       8.85421708E-02  -5.65310001              12
 Cu   1.91886711      -2.40340829      -5.64230013              12
 Cu   1.99067676      -4.95142508      -5.63149977               9
 Cu   4.03860521       3.91388893      -5.60969019               9
 Cu   4.03927088       1.35352039      -5.59888983              12
 Cu   4.07003164      -1.13338006      -5.58809996              12
 Cu   4.12031603      -3.69479442      -5.57730007               9
 Cu   6.15473938       2.61777687      -5.54466105               7
 Cu   6.24852562      0.132782862      -5.53386116               8
 Cu   6.21233511      -2.35658503      -5.52306986               7
 Cu  -3.89350104       2.49439263      -3.83487034               6
 Cu  -3.88567400       3.38386856E-02  -3.79313612               7
 Cu  -3.83634305      -2.42864394      -3.81224990               6
 Cu  -1.79207706       3.78488111      -3.74637270               7
 Cu  -1.75053692       1.29428482      -3.64189792               9
 Cu  -1.72284567      -1.17536616      -3.60247254               9
 Cu  -1.70586789      -3.66823697      -3.71602941               7
 Cu  0.351488769       5.00585461      -3.72748375               6
 Cu  0.371925741       2.55036712      -3.55847716               9
 Cu  0.403528243       8.29949155E-02  -3.62169433               9
 Cu  0.428412169      -2.38341999      -3.54056907               9
 Cu  0.463313252      -4.84264565      -3.68326783               6
 Cu   2.50665045       3.81807137      -3.63644314               7
 Cu   2.52810407       1.33921874      -3.49440432               9
 Cu   2.55861735      -1.12551641      -3.51870751               9
 Cu   2.59187508      -3.60691047      -3.60195565               7
 Cu   4.64393091       2.59359670      -3.59904814               6
 Cu   4.71534157      0.128071055      -3.55321026               7
 Cu   4.70177174      -2.33964300      -3.57633138               6
          94
 Ead:  -1.77652335     out: e-100-All-Rlx|G_-0.10_0.00_0.00.out                         
 H    3.93176126       4.84987736       2.55680060               0
 C    4.00809002       3.91905117       1.98691928               0
 H    4.07450438       4.94889355      0.108549207               0
 C    4.10359812       3.97022128      0.590505362               0
 H    4.12808180       4.99118710      -1.85567927               0
 C    4.17010355       4.03414249      -2.37796450               0
 H    4.08982182       4.99868727      -4.30967903               0
 C    4.13490486       4.04346180      -3.77798390               0
 H    3.89536476       2.65415740       3.73394465               0
 C    3.98782444       2.70156407       2.64514256               0
 C    4.08564758       1.49163651       1.91526580               0
 C    4.20128012       2.80683231     -0.184883416               0
 C    4.21800375       1.54176319      0.484534919               0
 C    4.22958612       2.83800793      -1.64992762               0
 C    4.27293587       1.60272682      -2.37121439               0
 C    4.13916636       2.85528207      -4.48754311               0
 C    4.20445156       1.61415160      -3.80724168               0
 H    4.09975004       2.85580325      -5.58071756               0
 H    3.87582111      0.209331766       3.65201569               0
 C    4.00513124      0.236078843       2.56442571               0
 C    4.08046389     -0.959697962       1.85515559               0
 C    4.28804970      0.323034018     -0.250921935               0
 C    4.24221039     -0.922999620      0.424798399               0
 C    4.31675768      0.353924572      -1.68635142               0
 C    4.30794907     -0.861660302      -2.41716337               0
 C    4.16678381      0.387994617      -4.51334524               0
 C    4.21969223     -0.837289155      -3.85421896               0
 H    4.09251785      0.408387035      -5.60641909               0
 H    3.84236264      -2.25503922       3.59158635               0
 C    3.96034908      -2.23640776       2.50405979               0
 C    4.01133871      -3.40443897       1.79022646               0
 C    4.27087784      -2.14362216     -0.311025441               0
 C    4.17236471      -3.39773011      0.365620732               0
 C    4.30765676      -2.11270881      -1.73475099               0
 C    4.25211811      -3.33622575      -2.46973848               0
 C    4.15375900      -2.08497071      -4.56313562               0
 C    4.17607784      -3.28144145      -3.90011573               0
 H    4.09007883      -2.05688715      -5.65533400               0
 H    3.94161654      -4.36894417       2.30390644               0
 C    4.17925167      -4.59066916     -0.387379050               0
 H    4.11180496      -5.54694319      0.140945286               0
 C    4.21885014      -4.56070280      -1.76930523               0
 H    4.18366480      -5.49373531      -2.34045935               0
 H    4.13805723      -4.22375250      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.63435018     out: e-100-All-Rlx|G_-0.10_0.00_1.24.out                         
 H    3.93176126       4.84987736       3.79680061               0
 C    4.00809002       3.91905117       3.22691917               0
 H    4.07450438       4.94889355       1.34854925               0
 C    4.10359812       3.97022128       1.83050537               0
 H    4.12808180       4.99118710     -0.615679264               0
 C    4.17010355       4.03414249      -1.13796449               0
 H    4.08982182       4.99868727      -3.06967902               0
 C    4.13490486       4.04346180      -2.53798389               0
 H    3.89536476       2.65415740       4.97394466               0
 C    3.98782444       2.70156407       3.88514256               0
 C    4.08564758       1.49163651       3.15526581               0
 C    4.20128012       2.80683231       1.05511665               0
 C    4.21800375       1.54176319       1.72453499               0
 C    4.22958612       2.83800793     -0.409927607               0
 C    4.27293587       1.60272682      -1.13121438               0
 C    4.13916636       2.85528207      -3.24754310               0
 C    4.20445156       1.61415160      -2.56724167               0
 H    4.09975004       2.85580325      -4.34071732               0
 H    3.87582111      0.209331766       4.89201546               0
 C    4.00513124      0.236078843       3.80442572               0
 C    4.08046389     -0.959697962       3.09515572               0
 C    4.28804970      0.323034018      0.989078045               0
 C    4.24221039     -0.922999620       1.66479838               0
 C    4.31675768      0.353924572     -0.446351409               0
 C    4.30794907     -0.861660302      -1.17716336               0
 C    4.16678381      0.387994617      -3.27334523               0
 C    4.21969223     -0.837289155      -2.61421895               0
 H    4.09251785      0.408387035      -4.36641884               0
 H    3.84236264      -2.25503922       4.83158636               0
 C    3.96034908      -2.23640776       3.74405980               0
 C    4.01133871      -3.40443897       3.03022647               0
 C    4.27087784      -2.14362216      0.928974569               0
 C    4.17236471      -3.39773011       1.60562074               0
 C    4.30765676      -2.11270881     -0.494750977               0
 C    4.25211811      -3.33622575      -1.22973847               0
 C    4.15375900      -2.08497071      -3.32313561               0
 C    4.17607784      -3.28144145      -2.66011572               0
 H    4.09007883      -2.05688715      -4.41533375               0
 H    3.94161654      -4.36894417       3.54390645               0
 C    4.17925167      -4.59066916      0.852620959               0
 H    4.11180496      -5.54694319       1.38094532               0
 C    4.21885014      -4.56070280     -0.529305220               0
 H    4.18366480      -5.49373531      -1.10045934               0
 H    4.13805723      -4.22375250      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.62076294     out: e-100-All-Rlx|G_-0.10_1.24_0.00.out                         
 H    3.93176126       6.08987713       2.55680060               0
 C    4.00809002       5.15905094       1.98691928               0
 H    4.07450438       6.18889332      0.108549207               0
 C    4.10359812       5.21022129      0.590505362               0
 H    4.12808180       6.23118687      -1.85567927               0
 C    4.17010355       5.27414227      -2.37796450               0
 H    4.08982182       6.23868752      -4.30967903               0
 C    4.13490486       5.28346157      -3.77798390               0
 H    3.89536476       3.89415741       3.73394465               0
 C    3.98782444       3.94156408       2.64514256               0
 C    4.08564758       2.73163652       1.91526580               0
 C    4.20128012       4.04683208     -0.184883416               0
 C    4.21800375       2.78176308      0.484534919               0
 C    4.22958612       4.07800770      -1.64992762               0
 C    4.27293587       2.84272671      -2.37121439               0
 C    4.13916636       4.09528208      -4.48754311               0
 C    4.20445156       2.85415173      -3.80724168               0
 H    4.09975004       4.09580326      -5.58071756               0
 H    3.87582111       1.44933176       3.65201569               0
 C    4.00513124       1.47607887       2.56442571               0
 C    4.08046389      0.280302048       1.85515559               0
 C    4.28804970       1.56303406     -0.250921935               0
 C    4.24221039      0.317000389      0.424798399               0
 C    4.31675768       1.59392452      -1.68635142               0
 C    4.30794907      0.378339708      -2.41716337               0
 C    4.16678381       1.62799466      -4.51334524               0
 C    4.21969223      0.402710855      -3.85421896               0
 H    4.09251785       1.64838707      -5.60641909               0
 H    3.84236264      -1.01503921       3.59158635               0
 C    3.96034908     -0.996407747       2.50405979               0
 C    4.01133871      -2.16443896       1.79022646               0
 C    4.27087784     -0.903622150     -0.311025441               0
 C    4.17236471      -2.15773010      0.365620732               0
 C    4.30765676     -0.872708797      -1.73475099               0
 C    4.25211811      -2.09622574      -2.46973848               0
 C    4.15375900     -0.844970703      -4.56313562               0
 C    4.17607784      -2.04144144      -3.90011573               0
 H    4.09007883     -0.816887140      -5.65533400               0
 H    3.94161654      -3.12894416       2.30390644               0
 C    4.17925167      -3.35066915     -0.387379050               0
 H    4.11180496      -4.30694294      0.140945286               0
 C    4.21885014      -3.32070279      -1.76930523               0
 H    4.18366480      -4.25373554      -2.34045935               0
 H    4.13805723      -2.98375249      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.51857114     out: e-100-All-Rlx|G_-0.10_1.24_1.24.out                         
 H    3.93176126       6.08987713       3.79680061               0
 C    4.00809002       5.15905094       3.22691917               0
 H    4.07450438       6.18889332       1.34854925               0
 C    4.10359812       5.21022129       1.83050537               0
 H    4.12808180       6.23118687     -0.615679264               0
 C    4.17010355       5.27414227      -1.13796449               0
 H    4.08982182       6.23868752      -3.06967902               0
 C    4.13490486       5.28346157      -2.53798389               0
 H    3.89536476       3.89415741       4.97394466               0
 C    3.98782444       3.94156408       3.88514256               0
 C    4.08564758       2.73163652       3.15526581               0
 C    4.20128012       4.04683208       1.05511665               0
 C    4.21800375       2.78176308       1.72453499               0
 C    4.22958612       4.07800770     -0.409927607               0
 C    4.27293587       2.84272671      -1.13121438               0
 C    4.13916636       4.09528208      -3.24754310               0
 C    4.20445156       2.85415173      -2.56724167               0
 H    4.09975004       4.09580326      -4.34071732               0
 H    3.87582111       1.44933176       4.89201546               0
 C    4.00513124       1.47607887       3.80442572               0
 C    4.08046389      0.280302048       3.09515572               0
 C    4.28804970       1.56303406      0.989078045               0
 C    4.24221039      0.317000389       1.66479838               0
 C    4.31675768       1.59392452     -0.446351409               0
 C    4.30794907      0.378339708      -1.17716336               0
 C    4.16678381       1.62799466      -3.27334523               0
 C    4.21969223      0.402710855      -2.61421895               0
 H    4.09251785       1.64838707      -4.36641884               0
 H    3.84236264      -1.01503921       4.83158636               0
 C    3.96034908     -0.996407747       3.74405980               0
 C    4.01133871      -2.16443896       3.03022647               0
 C    4.27087784     -0.903622150      0.928974569               0
 C    4.17236471      -2.15773010       1.60562074               0
 C    4.30765676     -0.872708797     -0.494750977               0
 C    4.25211811      -2.09622574      -1.22973847               0
 C    4.15375900     -0.844970703      -3.32313561               0
 C    4.17607784      -2.04144144      -2.66011572               0
 H    4.09007883     -0.816887140      -4.41533375               0
 H    3.94161654      -3.12894416       3.54390645               0
 C    4.17925167      -3.35066915      0.852620959               0
 H    4.11180496      -4.30694294       1.38094532               0
 C    4.21885014      -3.32070279     -0.529305220               0
 H    4.18366480      -4.25373554      -1.10045934               0
 H    4.13805723      -2.98375249      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.79640007     out: e-100-All-Rlx|G_-0.30_0.00_0.00.out                         
 H    3.73176122       4.84987736       2.55680060               0
 C    3.80808997       3.91905117       1.98691928               0
 H    3.87450433       4.94889355      0.108549207               0
 C    3.90359807       3.97022128      0.590505362               0
 H    3.92808175       4.99118710      -1.85567927               0
 C    3.97010350       4.03414249      -2.37796450               0
 H    3.88982177       4.99868727      -4.30967903               0
 C    3.93490481       4.04346180      -3.77798390               0
 H    3.69536471       2.65415740       3.73394465               0
 C    3.78782439       2.70156407       2.64514256               0
 C    3.88564754       1.49163651       1.91526580               0
 C    4.00127983       2.80683231     -0.184883416               0
 C    4.01800346       1.54176319      0.484534919               0
 C    4.02958584       2.83800793      -1.64992762               0
 C    4.07293558       1.60272682      -2.37121439               0
 C    3.93916631       2.85528207      -4.48754311               0
 C    4.00445127       1.61415160      -3.80724168               0
 H    3.89974999       2.85580325      -5.58071756               0
 H    3.67582107      0.209331766       3.65201569               0
 C    3.80513120      0.236078843       2.56442571               0
 C    3.88046384     -0.959697962       1.85515559               0
 C    4.08804941      0.323034018     -0.250921935               0
 C    4.04221010     -0.922999620      0.424798399               0
 C    4.11675739      0.353924572      -1.68635142               0
 C    4.10794878     -0.861660302      -2.41716337               0
 C    3.96678376      0.387994617      -4.51334524               0
 C    4.01969194     -0.837289155      -3.85421896               0
 H    3.89251781      0.408387035      -5.60641909               0
 H    3.64236259      -2.25503922       3.59158635               0
 C    3.76034904      -2.23640776       2.50405979               0
 C    3.81133866      -3.40443897       1.79022646               0
 C    4.07087755      -2.14362216     -0.311025441               0
 C    3.97236466      -3.39773011      0.365620732               0
 C    4.10765648      -2.11270881      -1.73475099               0
 C    4.05211782      -3.33622575      -2.46973848               0
 C    3.95375896      -2.08497071      -4.56313562               0
 C    3.97607780      -3.28144145      -3.90011573               0
 H    3.89007878      -2.05688715      -5.65533400               0
 H    3.74161649      -4.36894417       2.30390644               0
 C    3.97925162      -4.59066916     -0.387379050               0
 H    3.91180491      -5.54694319      0.140945286               0
 C    4.01884985      -4.56070280      -1.76930523               0
 H    3.98366475      -5.49373531      -2.34045935               0
 H    3.93805718      -4.22375250      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.58833778     out: e-100-All-Rlx|G_0.30_0.00_0.00.out                          
 H    4.33176136       4.84987736       2.55680060               0
 C    4.40809011       3.91905117       1.98691928               0
 H    4.47450447       4.94889355      0.108549207               0
 C    4.50359821       3.97022128      0.590505362               0
 H    4.52808189       4.99118710      -1.85567927               0
 C    4.57010365       4.03414249      -2.37796450               0
 H    4.48982191       4.99868727      -4.30967903               0
 C    4.53490496       4.04346180      -3.77798390               0
 H    4.29536486       2.65415740       3.73394465               0
 C    4.38782454       2.70156407       2.64514256               0
 C    4.48564768       1.49163651       1.91526580               0
 C    4.60128021       2.80683231     -0.184883416               0
 C    4.61800385       1.54176319      0.484534919               0
 C    4.62958622       2.83800793      -1.64992762               0
 C    4.67293596       1.60272682      -2.37121439               0
 C    4.53916645       2.85528207      -4.48754311               0
 C    4.60445166       1.61415160      -3.80724168               0
 H    4.49975014       2.85580325      -5.58071756               0
 H    4.27582121      0.209331766       3.65201569               0
 C    4.40513134      0.236078843       2.56442571               0
 C    4.48046398     -0.959697962       1.85515559               0
 C    4.68804979      0.323034018     -0.250921935               0
 C    4.64221048     -0.922999620      0.424798399               0
 C    4.71675777      0.353924572      -1.68635142               0
 C    4.70794916     -0.861660302      -2.41716337               0
 C    4.56678391      0.387994617      -4.51334524               0
 C    4.61969233     -0.837289155      -3.85421896               0
 H    4.49251795      0.408387035      -5.60641909               0
 H    4.24236250      -2.25503922       3.59158635               0
 C    4.36034918      -2.23640776       2.50405979               0
 C    4.41133881      -3.40443897       1.79022646               0
 C    4.67087793      -2.14362216     -0.311025441               0
 C    4.57236481      -3.39773011      0.365620732               0
 C    4.70765686      -2.11270881      -1.73475099               0
 C    4.65211821      -3.33622575      -2.46973848               0
 C    4.55375910      -2.08497071      -4.56313562               0
 C    4.57607794      -3.28144145      -3.90011573               0
 H    4.49007893      -2.05688715      -5.65533400               0
 H    4.34161663      -4.36894417       2.30390644               0
 C    4.57925177      -4.59066916     -0.387379050               0
 H    4.51180506      -5.54694319      0.140945286               0
 C    4.61885023      -4.56070280      -1.76930523               0
 H    4.58366489      -5.49373531      -2.34045935               0
 H    4.53805733      -4.22375250      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.64535058     out: e-100-All-Rlx|G_-0.30_0.00_1.24.out                         
 H    3.73176122       4.84987736       3.79680061               0
 C    3.80808997       3.91905117       3.22691917               0
 H    3.87450433       4.94889355       1.34854925               0
 C    3.90359807       3.97022128       1.83050537               0
 H    3.92808175       4.99118710     -0.615679264               0
 C    3.97010350       4.03414249      -1.13796449               0
 H    3.88982177       4.99868727      -3.06967902               0
 C    3.93490481       4.04346180      -2.53798389               0
 H    3.69536471       2.65415740       4.97394466               0
 C    3.78782439       2.70156407       3.88514256               0
 C    3.88564754       1.49163651       3.15526581               0
 C    4.00127983       2.80683231       1.05511665               0
 C    4.01800346       1.54176319       1.72453499               0
 C    4.02958584       2.83800793     -0.409927607               0
 C    4.07293558       1.60272682      -1.13121438               0
 C    3.93916631       2.85528207      -3.24754310               0
 C    4.00445127       1.61415160      -2.56724167               0
 H    3.89974999       2.85580325      -4.34071732               0
 H    3.67582107      0.209331766       4.89201546               0
 C    3.80513120      0.236078843       3.80442572               0
 C    3.88046384     -0.959697962       3.09515572               0
 C    4.08804941      0.323034018      0.989078045               0
 C    4.04221010     -0.922999620       1.66479838               0
 C    4.11675739      0.353924572     -0.446351409               0
 C    4.10794878     -0.861660302      -1.17716336               0
 C    3.96678376      0.387994617      -3.27334523               0
 C    4.01969194     -0.837289155      -2.61421895               0
 H    3.89251781      0.408387035      -4.36641884               0
 H    3.64236259      -2.25503922       4.83158636               0
 C    3.76034904      -2.23640776       3.74405980               0
 C    3.81133866      -3.40443897       3.03022647               0
 C    4.07087755      -2.14362216      0.928974569               0
 C    3.97236466      -3.39773011       1.60562074               0
 C    4.10765648      -2.11270881     -0.494750977               0
 C    4.05211782      -3.33622575      -1.22973847               0
 C    3.95375896      -2.08497071      -3.32313561               0
 C    3.97607780      -3.28144145      -2.66011572               0
 H    3.89007878      -2.05688715      -4.41533375               0
 H    3.74161649      -4.36894417       3.54390645               0
 C    3.97925162      -4.59066916      0.852620959               0
 H    3.91180491      -5.54694319       1.38094532               0
 C    4.01884985      -4.56070280     -0.529305220               0
 H    3.98366475      -5.49373531      -1.10045934               0
 H    3.93805718      -4.22375250      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.46806490     out: e-100-All-Rlx|G_0.30_0.00_1.24.out                          
 H    4.33176136       4.84987736       3.79680061               0
 C    4.40809011       3.91905117       3.22691917               0
 H    4.47450447       4.94889355       1.34854925               0
 C    4.50359821       3.97022128       1.83050537               0
 H    4.52808189       4.99118710     -0.615679264               0
 C    4.57010365       4.03414249      -1.13796449               0
 H    4.48982191       4.99868727      -3.06967902               0
 C    4.53490496       4.04346180      -2.53798389               0
 H    4.29536486       2.65415740       4.97394466               0
 C    4.38782454       2.70156407       3.88514256               0
 C    4.48564768       1.49163651       3.15526581               0
 C    4.60128021       2.80683231       1.05511665               0
 C    4.61800385       1.54176319       1.72453499               0
 C    4.62958622       2.83800793     -0.409927607               0
 C    4.67293596       1.60272682      -1.13121438               0
 C    4.53916645       2.85528207      -3.24754310               0
 C    4.60445166       1.61415160      -2.56724167               0
 H    4.49975014       2.85580325      -4.34071732               0
 H    4.27582121      0.209331766       4.89201546               0
 C    4.40513134      0.236078843       3.80442572               0
 C    4.48046398     -0.959697962       3.09515572               0
 C    4.68804979      0.323034018      0.989078045               0
 C    4.64221048     -0.922999620       1.66479838               0
 C    4.71675777      0.353924572     -0.446351409               0
 C    4.70794916     -0.861660302      -1.17716336               0
 C    4.56678391      0.387994617      -3.27334523               0
 C    4.61969233     -0.837289155      -2.61421895               0
 H    4.49251795      0.408387035      -4.36641884               0
 H    4.24236250      -2.25503922       4.83158636               0
 C    4.36034918      -2.23640776       3.74405980               0
 C    4.41133881      -3.40443897       3.03022647               0
 C    4.67087793      -2.14362216      0.928974569               0
 C    4.57236481      -3.39773011       1.60562074               0
 C    4.70765686      -2.11270881     -0.494750977               0
 C    4.65211821      -3.33622575      -1.22973847               0
 C    4.55375910      -2.08497071      -3.32313561               0
 C    4.57607794      -3.28144145      -2.66011572               0
 H    4.49007893      -2.05688715      -4.41533375               0
 H    4.34161663      -4.36894417       3.54390645               0
 C    4.57925177      -4.59066916      0.852620959               0
 H    4.51180506      -5.54694319       1.38094532               0
 C    4.61885023      -4.56070280     -0.529305220               0
 H    4.58366489      -5.49373531      -1.10045934               0
 H    4.53805733      -4.22375250      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.60164714     out: e-100-All-Rlx|G_-0.30_1.24_0.00.out                         
 H    3.73176122       6.08987713       2.55680060               0
 C    3.80808997       5.15905094       1.98691928               0
 H    3.87450433       6.18889332      0.108549207               0
 C    3.90359807       5.21022129      0.590505362               0
 H    3.92808175       6.23118687      -1.85567927               0
 C    3.97010350       5.27414227      -2.37796450               0
 H    3.88982177       6.23868752      -4.30967903               0
 C    3.93490481       5.28346157      -3.77798390               0
 H    3.69536471       3.89415741       3.73394465               0
 C    3.78782439       3.94156408       2.64514256               0
 C    3.88564754       2.73163652       1.91526580               0
 C    4.00127983       4.04683208     -0.184883416               0
 C    4.01800346       2.78176308      0.484534919               0
 C    4.02958584       4.07800770      -1.64992762               0
 C    4.07293558       2.84272671      -2.37121439               0
 C    3.93916631       4.09528208      -4.48754311               0
 C    4.00445127       2.85415173      -3.80724168               0
 H    3.89974999       4.09580326      -5.58071756               0
 H    3.67582107       1.44933176       3.65201569               0
 C    3.80513120       1.47607887       2.56442571               0
 C    3.88046384      0.280302048       1.85515559               0
 C    4.08804941       1.56303406     -0.250921935               0
 C    4.04221010      0.317000389      0.424798399               0
 C    4.11675739       1.59392452      -1.68635142               0
 C    4.10794878      0.378339708      -2.41716337               0
 C    3.96678376       1.62799466      -4.51334524               0
 C    4.01969194      0.402710855      -3.85421896               0
 H    3.89251781       1.64838707      -5.60641909               0
 H    3.64236259      -1.01503921       3.59158635               0
 C    3.76034904     -0.996407747       2.50405979               0
 C    3.81133866      -2.16443896       1.79022646               0
 C    4.07087755     -0.903622150     -0.311025441               0
 C    3.97236466      -2.15773010      0.365620732               0
 C    4.10765648     -0.872708797      -1.73475099               0
 C    4.05211782      -2.09622574      -2.46973848               0
 C    3.95375896     -0.844970703      -4.56313562               0
 C    3.97607780      -2.04144144      -3.90011573               0
 H    3.89007878     -0.816887140      -5.65533400               0
 H    3.74161649      -3.12894416       2.30390644               0
 C    3.97925162      -3.35066915     -0.387379050               0
 H    3.91180491      -4.30694294      0.140945286               0
 C    4.01884985      -3.32070279      -1.76930523               0
 H    3.98366475      -4.25373554      -2.34045935               0
 H    3.93805718      -2.98375249      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.47646999     out: e-100-All-Rlx|G_0.30_1.24_0.00.out                          
 H    4.33176136       6.08987713       2.55680060               0
 C    4.40809011       5.15905094       1.98691928               0
 H    4.47450447       6.18889332      0.108549207               0
 C    4.50359821       5.21022129      0.590505362               0
 H    4.52808189       6.23118687      -1.85567927               0
 C    4.57010365       5.27414227      -2.37796450               0
 H    4.48982191       6.23868752      -4.30967903               0
 C    4.53490496       5.28346157      -3.77798390               0
 H    4.29536486       3.89415741       3.73394465               0
 C    4.38782454       3.94156408       2.64514256               0
 C    4.48564768       2.73163652       1.91526580               0
 C    4.60128021       4.04683208     -0.184883416               0
 C    4.61800385       2.78176308      0.484534919               0
 C    4.62958622       4.07800770      -1.64992762               0
 C    4.67293596       2.84272671      -2.37121439               0
 C    4.53916645       4.09528208      -4.48754311               0
 C    4.60445166       2.85415173      -3.80724168               0
 H    4.49975014       4.09580326      -5.58071756               0
 H    4.27582121       1.44933176       3.65201569               0
 C    4.40513134       1.47607887       2.56442571               0
 C    4.48046398      0.280302048       1.85515559               0
 C    4.68804979       1.56303406     -0.250921935               0
 C    4.64221048      0.317000389      0.424798399               0
 C    4.71675777       1.59392452      -1.68635142               0
 C    4.70794916      0.378339708      -2.41716337               0
 C    4.56678391       1.62799466      -4.51334524               0
 C    4.61969233      0.402710855      -3.85421896               0
 H    4.49251795       1.64838707      -5.60641909               0
 H    4.24236250      -1.01503921       3.59158635               0
 C    4.36034918     -0.996407747       2.50405979               0
 C    4.41133881      -2.16443896       1.79022646               0
 C    4.67087793     -0.903622150     -0.311025441               0
 C    4.57236481      -2.15773010      0.365620732               0
 C    4.70765686     -0.872708797      -1.73475099               0
 C    4.65211821      -2.09622574      -2.46973848               0
 C    4.55375910     -0.844970703      -4.56313562               0
 C    4.57607794      -2.04144144      -3.90011573               0
 H    4.49007893     -0.816887140      -5.65533400               0
 H    4.34161663      -3.12894416       2.30390644               0
 C    4.57925177      -3.35066915     -0.387379050               0
 H    4.51180506      -4.30694294      0.140945286               0
 C    4.61885023      -3.32070279      -1.76930523               0
 H    4.58366489      -4.25373554      -2.34045935               0
 H    4.53805733      -2.98375249      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.50735283     out: e-100-All-Rlx|G_-0.30_1.24_1.24.out                         
 H    3.73176122       6.08987713       3.79680061               0
 C    3.80808997       5.15905094       3.22691917               0
 H    3.87450433       6.18889332       1.34854925               0
 C    3.90359807       5.21022129       1.83050537               0
 H    3.92808175       6.23118687     -0.615679264               0
 C    3.97010350       5.27414227      -1.13796449               0
 H    3.88982177       6.23868752      -3.06967902               0
 C    3.93490481       5.28346157      -2.53798389               0
 H    3.69536471       3.89415741       4.97394466               0
 C    3.78782439       3.94156408       3.88514256               0
 C    3.88564754       2.73163652       3.15526581               0
 C    4.00127983       4.04683208       1.05511665               0
 C    4.01800346       2.78176308       1.72453499               0
 C    4.02958584       4.07800770     -0.409927607               0
 C    4.07293558       2.84272671      -1.13121438               0
 C    3.93916631       4.09528208      -3.24754310               0
 C    4.00445127       2.85415173      -2.56724167               0
 H    3.89974999       4.09580326      -4.34071732               0
 H    3.67582107       1.44933176       4.89201546               0
 C    3.80513120       1.47607887       3.80442572               0
 C    3.88046384      0.280302048       3.09515572               0
 C    4.08804941       1.56303406      0.989078045               0
 C    4.04221010      0.317000389       1.66479838               0
 C    4.11675739       1.59392452     -0.446351409               0
 C    4.10794878      0.378339708      -1.17716336               0
 C    3.96678376       1.62799466      -3.27334523               0
 C    4.01969194      0.402710855      -2.61421895               0
 H    3.89251781       1.64838707      -4.36641884               0
 H    3.64236259      -1.01503921       4.83158636               0
 C    3.76034904     -0.996407747       3.74405980               0
 C    3.81133866      -2.16443896       3.03022647               0
 C    4.07087755     -0.903622150      0.928974569               0
 C    3.97236466      -2.15773010       1.60562074               0
 C    4.10765648     -0.872708797     -0.494750977               0
 C    4.05211782      -2.09622574      -1.22973847               0
 C    3.95375896     -0.844970703      -3.32313561               0
 C    3.97607780      -2.04144144      -2.66011572               0
 H    3.89007878     -0.816887140      -4.41533375               0
 H    3.74161649      -3.12894416       3.54390645               0
 C    3.97925162      -3.35066915      0.852620959               0
 H    3.91180491      -4.30694294       1.38094532               0
 C    4.01884985      -3.32070279     -0.529305220               0
 H    3.98366475      -4.25373554      -1.10045934               0
 H    3.93805718      -2.98375249      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.37553740     out: e-100-All-Rlx|G_0.30_1.24_1.24.out                          
 H    4.33176136       6.08987713       3.79680061               0
 C    4.40809011       5.15905094       3.22691917               0
 H    4.47450447       6.18889332       1.34854925               0
 C    4.50359821       5.21022129       1.83050537               0
 H    4.52808189       6.23118687     -0.615679264               0
 C    4.57010365       5.27414227      -1.13796449               0
 H    4.48982191       6.23868752      -3.06967902               0
 C    4.53490496       5.28346157      -2.53798389               0
 H    4.29536486       3.89415741       4.97394466               0
 C    4.38782454       3.94156408       3.88514256               0
 C    4.48564768       2.73163652       3.15526581               0
 C    4.60128021       4.04683208       1.05511665               0
 C    4.61800385       2.78176308       1.72453499               0
 C    4.62958622       4.07800770     -0.409927607               0
 C    4.67293596       2.84272671      -1.13121438               0
 C    4.53916645       4.09528208      -3.24754310               0
 C    4.60445166       2.85415173      -2.56724167               0
 H    4.49975014       4.09580326      -4.34071732               0
 H    4.27582121       1.44933176       4.89201546               0
 C    4.40513134       1.47607887       3.80442572               0
 C    4.48046398      0.280302048       3.09515572               0
 C    4.68804979       1.56303406      0.989078045               0
 C    4.64221048      0.317000389       1.66479838               0
 C    4.71675777       1.59392452     -0.446351409               0
 C    4.70794916      0.378339708      -1.17716336               0
 C    4.56678391       1.62799466      -3.27334523               0
 C    4.61969233      0.402710855      -2.61421895               0
 H    4.49251795       1.64838707      -4.36641884               0
 H    4.24236250      -1.01503921       4.83158636               0
 C    4.36034918     -0.996407747       3.74405980               0
 C    4.41133881      -2.16443896       3.03022647               0
 C    4.67087793     -0.903622150      0.928974569               0
 C    4.57236481      -2.15773010       1.60562074               0
 C    4.70765686     -0.872708797     -0.494750977               0
 C    4.65211821      -2.09622574      -1.22973847               0
 C    4.55375910     -0.844970703      -3.32313561               0
 C    4.57607794      -2.04144144      -2.66011572               0
 H    4.49007893     -0.816887140      -4.41533375               0
 H    4.34161663      -3.12894416       3.54390645               0
 C    4.57925177      -3.35066915      0.852620959               0
 H    4.51180506      -4.30694294       1.38094532               0
 C    4.61885023      -3.32070279     -0.529305220               0
 H    4.58366489      -4.25373554      -1.10045934               0
 H    4.53805733      -2.98375249      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
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 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
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 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.32185960     out: e-100-All-Rlx|G_0.60_0.00_0.00.out                          
 H    4.63176107       4.84987736       2.55680060               0
 C    4.70808983       3.91905117       1.98691928               0
 H    4.77450418       4.94889355      0.108549207               0
 C    4.80359793       3.97022128      0.590505362               0
 H    4.82808161       4.99118710      -1.85567927               0
 C    4.87010336       4.03414249      -2.37796450               0
 H    4.78982162       4.99868727      -4.30967903               0
 C    4.83490467       4.04346180      -3.77798390               0
 H    4.59536457       2.65415740       3.73394465               0
 C    4.68782425       2.70156407       2.64514256               0
 C    4.78564739       1.49163651       1.91526580               0
 C    4.90127993       2.80683231     -0.184883416               0
 C    4.91800356       1.54176319      0.484534919               0
 C    4.92958593       2.83800793      -1.64992762               0
 C    4.97293568       1.60272682      -2.37121439               0
 C    4.83916616       2.85528207      -4.48754311               0
 C    4.90445137       1.61415160      -3.80724168               0
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 H    4.57582092      0.209331766       3.65201569               0
 C    4.70513105      0.236078843       2.56442571               0
 C    4.78046370     -0.959697962       1.85515559               0
 C    4.98804951      0.323034018     -0.250921935               0
 C    4.94221020     -0.922999620      0.424798399               0
 C    5.01675749      0.353924572      -1.68635142               0
 C    5.00794888     -0.861660302      -2.41716337               0
 C    4.86678362      0.387994617      -4.51334524               0
 C    4.91969204     -0.837289155      -3.85421896               0
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 H    4.54236269      -2.25503922       3.59158635               0
 C    4.66034889      -2.23640776       2.50405979               0
 C    4.71133852      -3.40443897       1.79022646               0
 C    4.97087765      -2.14362216     -0.311025441               0
 C    4.87236452      -3.39773011      0.365620732               0
 C    5.00765657      -2.11270881      -1.73475099               0
 C    4.95211792      -3.33622575      -2.46973848               0
 C    4.85375881      -2.08497071      -4.56313562               0
 C    4.87607765      -3.28144145      -3.90011573               0
 H    4.79007864      -2.05688715      -5.65533400               0
 H    4.64161634      -4.36894417       2.30390644               0
 C    4.87925148      -4.59066916     -0.387379050               0
 H    4.81180477      -5.54694319      0.140945286               0
 C    4.91884995      -4.56070280      -1.76930523               0
 H    4.88366461      -5.49373531      -2.34045935               0
 H    4.83805704      -4.22375250      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
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 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
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 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
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 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
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 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
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 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.22461021     out: e-100-All-Rlx|G_0.60_0.00_1.24.out                          
 H    4.63176107       4.84987736       3.79680061               0
 C    4.70808983       3.91905117       3.22691917               0
 H    4.77450418       4.94889355       1.34854925               0
 C    4.80359793       3.97022128       1.83050537               0
 H    4.82808161       4.99118710     -0.615679264               0
 C    4.87010336       4.03414249      -1.13796449               0
 H    4.78982162       4.99868727      -3.06967902               0
 C    4.83490467       4.04346180      -2.53798389               0
 H    4.59536457       2.65415740       4.97394466               0
 C    4.68782425       2.70156407       3.88514256               0
 C    4.78564739       1.49163651       3.15526581               0
 C    4.90127993       2.80683231       1.05511665               0
 C    4.91800356       1.54176319       1.72453499               0
 C    4.92958593       2.83800793     -0.409927607               0
 C    4.97293568       1.60272682      -1.13121438               0
 C    4.83916616       2.85528207      -3.24754310               0
 C    4.90445137       1.61415160      -2.56724167               0
 H    4.79974985       2.85580325      -4.34071732               0
 H    4.57582092      0.209331766       4.89201546               0
 C    4.70513105      0.236078843       3.80442572               0
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 C    4.98804951      0.323034018      0.989078045               0
 C    4.94221020     -0.922999620       1.66479838               0
 C    5.01675749      0.353924572     -0.446351409               0
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 C    4.71133852      -3.40443897       3.03022647               0
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 H    4.81180477      -5.54694319       1.38094532               0
 C    4.91884995      -4.56070280     -0.529305220               0
 H    4.88366461      -5.49373531      -1.10045934               0
 H    4.83805704      -4.22375250      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.23459494     out: e-100-All-Rlx|G_0.60_1.24_0.00.out                          
 H    4.63176107       6.08987713       2.55680060               0
 C    4.70808983       5.15905094       1.98691928               0
 H    4.77450418       6.18889332      0.108549207               0
 C    4.80359793       5.21022129      0.590505362               0
 H    4.82808161       6.23118687      -1.85567927               0
 C    4.87010336       5.27414227      -2.37796450               0
 H    4.78982162       6.23868752      -4.30967903               0
 C    4.83490467       5.28346157      -3.77798390               0
 H    4.59536457       3.89415741       3.73394465               0
 C    4.68782425       3.94156408       2.64514256               0
 C    4.78564739       2.73163652       1.91526580               0
 C    4.90127993       4.04683208     -0.184883416               0
 C    4.91800356       2.78176308      0.484534919               0
 C    4.92958593       4.07800770      -1.64992762               0
 C    4.97293568       2.84272671      -2.37121439               0
 C    4.83916616       4.09528208      -4.48754311               0
 C    4.90445137       2.85415173      -3.80724168               0
 H    4.79974985       4.09580326      -5.58071756               0
 H    4.57582092       1.44933176       3.65201569               0
 C    4.70513105       1.47607887       2.56442571               0
 C    4.78046370      0.280302048       1.85515559               0
 C    4.98804951       1.56303406     -0.250921935               0
 C    4.94221020      0.317000389      0.424798399               0
 C    5.01675749       1.59392452      -1.68635142               0
 C    5.00794888      0.378339708      -2.41716337               0
 C    4.86678362       1.62799466      -4.51334524               0
 C    4.91969204      0.402710855      -3.85421896               0
 H    4.79251766       1.64838707      -5.60641909               0
 H    4.54236269      -1.01503921       3.59158635               0
 C    4.66034889     -0.996407747       2.50405979               0
 C    4.71133852      -2.16443896       1.79022646               0
 C    4.97087765     -0.903622150     -0.311025441               0
 C    4.87236452      -2.15773010      0.365620732               0
 C    5.00765657     -0.872708797      -1.73475099               0
 C    4.95211792      -2.09622574      -2.46973848               0
 C    4.85375881     -0.844970703      -4.56313562               0
 C    4.87607765      -2.04144144      -3.90011573               0
 H    4.79007864     -0.816887140      -5.65533400               0
 H    4.64161634      -3.12894416       2.30390644               0
 C    4.87925148      -3.35066915     -0.387379050               0
 H    4.81180477      -4.30694294      0.140945286               0
 C    4.91884995      -3.32070279      -1.76930523               0
 H    4.88366461      -4.25373554      -2.34045935               0
 H    4.83805704      -2.98375249      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
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 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.14859593     out: e-100-All-Rlx|G_0.60_1.24_1.24.out                          
 H    4.63176107       6.08987713       3.79680061               0
 C    4.70808983       5.15905094       3.22691917               0
 H    4.77450418       6.18889332       1.34854925               0
 C    4.80359793       5.21022129       1.83050537               0
 H    4.82808161       6.23118687     -0.615679264               0
 C    4.87010336       5.27414227      -1.13796449               0
 H    4.78982162       6.23868752      -3.06967902               0
 C    4.83490467       5.28346157      -2.53798389               0
 H    4.59536457       3.89415741       4.97394466               0
 C    4.68782425       3.94156408       3.88514256               0
 C    4.78564739       2.73163652       3.15526581               0
 C    4.90127993       4.04683208       1.05511665               0
 C    4.91800356       2.78176308       1.72453499               0
 C    4.92958593       4.07800770     -0.409927607               0
 C    4.97293568       2.84272671      -1.13121438               0
 C    4.83916616       4.09528208      -3.24754310               0
 C    4.90445137       2.85415173      -2.56724167               0
 H    4.79974985       4.09580326      -4.34071732               0
 H    4.57582092       1.44933176       4.89201546               0
 C    4.70513105       1.47607887       3.80442572               0
 C    4.78046370      0.280302048       3.09515572               0
 C    4.98804951       1.56303406      0.989078045               0
 C    4.94221020      0.317000389       1.66479838               0
 C    5.01675749       1.59392452     -0.446351409               0
 C    5.00794888      0.378339708      -1.17716336               0
 C    4.86678362       1.62799466      -3.27334523               0
 C    4.91969204      0.402710855      -2.61421895               0
 H    4.79251766       1.64838707      -4.36641884               0
 H    4.54236269      -1.01503921       4.83158636               0
 C    4.66034889     -0.996407747       3.74405980               0
 C    4.71133852      -2.16443896       3.03022647               0
 C    4.97087765     -0.903622150      0.928974569               0
 C    4.87236452      -2.15773010       1.60562074               0
 C    5.00765657     -0.872708797     -0.494750977               0
 C    4.95211792      -2.09622574      -1.22973847               0
 C    4.85375881     -0.844970703      -3.32313561               0
 C    4.87607765      -2.04144144      -2.66011572               0
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 H    4.64161634      -3.12894416       3.54390645               0
 C    4.87925148      -3.35066915      0.852620959               0
 H    4.81180477      -4.30694294       1.38094532               0
 C    4.91884995      -3.32070279     -0.529305220               0
 H    4.88366461      -4.25373554      -1.10045934               0
 H    4.83805704      -2.98375249      -3.21696353               0
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 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
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 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
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 Cu  -2.30231667      -5.20225811       1.30664289               5
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 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
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 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
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 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead: -0.945124686     out: e-100-All-Rlx|G_1.00_0.00_0.00.out                          
 H    5.03176117       4.84987736       2.55680060               0
 C    5.10808992       3.91905117       1.98691928               0
 H    5.17450428       4.94889355      0.108549207               0
 C    5.20359802       3.97022128      0.590505362               0
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 C    5.27010345       4.03414249      -2.37796450               0
 H    5.18982172       4.99868727      -4.30967903               0
 C    5.23490477       4.04346180      -3.77798390               0
 H    4.99536467       2.65415740       3.73394465               0
 C    5.08782434       2.70156407       2.64514256               0
 C    5.18564749       1.49163651       1.91526580               0
 C    5.30128002       2.80683231     -0.184883416               0
 C    5.31800365       1.54176319      0.484534919               0
 C    5.32958603       2.83800793      -1.64992762               0
 C    5.37293577       1.60272682      -2.37121439               0
 C    5.23916626       2.85528207      -4.48754311               0
 C    5.30445147       1.61415160      -3.80724168               0
 H    5.19974995       2.85580325      -5.58071756               0
 H    4.97582102      0.209331766       3.65201569               0
 C    5.10513115      0.236078843       2.56442571               0
 C    5.18046379     -0.959697962       1.85515559               0
 C    5.38804960      0.323034018     -0.250921935               0
 C    5.34221029     -0.922999620      0.424798399               0
 C    5.41675758      0.353924572      -1.68635142               0
 C    5.40794897     -0.861660302      -2.41716337               0
 C    5.26678371      0.387994617      -4.51334524               0
 C    5.31969213     -0.837289155      -3.85421896               0
 H    5.19251776      0.408387035      -5.60641909               0
 H    4.94236279      -2.25503922       3.59158635               0
 C    5.06034899      -2.23640776       2.50405979               0
 C    5.11133862      -3.40443897       1.79022646               0
 C    5.37087774      -2.14362216     -0.311025441               0
 C    5.27236462      -3.39773011      0.365620732               0
 C    5.40765667      -2.11270881      -1.73475099               0
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 C    5.25375891      -2.08497071      -4.56313562               0
 C    5.27607775      -3.28144145      -3.90011573               0
 H    5.19007874      -2.05688715      -5.65533400               0
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 C    5.27925158      -4.59066916     -0.387379050               0
 H    5.21180487      -5.54694319      0.140945286               0
 C    5.31885004      -4.56070280      -1.76930523               0
 H    5.28366470      -5.49373531      -2.34045935               0
 H    5.23805714      -4.22375250      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead: -0.874862432     out: e-100-All-Rlx|G_1.00_0.00_1.24.out                          
 H    5.03176117       4.84987736       3.79680061               0
 C    5.10808992       3.91905117       3.22691917               0
 H    5.17450428       4.94889355       1.34854925               0
 C    5.20359802       3.97022128       1.83050537               0
 H    5.22808170       4.99118710     -0.615679264               0
 C    5.27010345       4.03414249      -1.13796449               0
 H    5.18982172       4.99868727      -3.06967902               0
 C    5.23490477       4.04346180      -2.53798389               0
 H    4.99536467       2.65415740       4.97394466               0
 C    5.08782434       2.70156407       3.88514256               0
 C    5.18564749       1.49163651       3.15526581               0
 C    5.30128002       2.80683231       1.05511665               0
 C    5.31800365       1.54176319       1.72453499               0
 C    5.32958603       2.83800793     -0.409927607               0
 C    5.37293577       1.60272682      -1.13121438               0
 C    5.23916626       2.85528207      -3.24754310               0
 C    5.30445147       1.61415160      -2.56724167               0
 H    5.19974995       2.85580325      -4.34071732               0
 H    4.97582102      0.209331766       4.89201546               0
 C    5.10513115      0.236078843       3.80442572               0
 C    5.18046379     -0.959697962       3.09515572               0
 C    5.38804960      0.323034018      0.989078045               0
 C    5.34221029     -0.922999620       1.66479838               0
 C    5.41675758      0.353924572     -0.446351409               0
 C    5.40794897     -0.861660302      -1.17716336               0
 C    5.26678371      0.387994617      -3.27334523               0
 C    5.31969213     -0.837289155      -2.61421895               0
 H    5.19251776      0.408387035      -4.36641884               0
 H    4.94236279      -2.25503922       4.83158636               0
 C    5.06034899      -2.23640776       3.74405980               0
 C    5.11133862      -3.40443897       3.03022647               0
 C    5.37087774      -2.14362216      0.928974569               0
 C    5.27236462      -3.39773011       1.60562074               0
 C    5.40765667      -2.11270881     -0.494750977               0
 C    5.35211802      -3.33622575      -1.22973847               0
 C    5.25375891      -2.08497071      -3.32313561               0
 C    5.27607775      -3.28144145      -2.66011572               0
 H    5.19007874      -2.05688715      -4.41533375               0
 H    5.04161644      -4.36894417       3.54390645               0
 C    5.27925158      -4.59066916      0.852620959               0
 H    5.21180487      -5.54694319       1.38094532               0
 C    5.31885004      -4.56070280     -0.529305220               0
 H    5.28366470      -5.49373531      -1.10045934               0
 H    5.23805714      -4.22375250      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead: -0.882388711     out: e-100-All-Rlx|G_1.00_1.24_0.00.out                          
 H    5.03176117       6.08987713       2.55680060               0
 C    5.10808992       5.15905094       1.98691928               0
 H    5.17450428       6.18889332      0.108549207               0
 C    5.20359802       5.21022129      0.590505362               0
 H    5.22808170       6.23118687      -1.85567927               0
 C    5.27010345       5.27414227      -2.37796450               0
 H    5.18982172       6.23868752      -4.30967903               0
 C    5.23490477       5.28346157      -3.77798390               0
 H    4.99536467       3.89415741       3.73394465               0
 C    5.08782434       3.94156408       2.64514256               0
 C    5.18564749       2.73163652       1.91526580               0
 C    5.30128002       4.04683208     -0.184883416               0
 C    5.31800365       2.78176308      0.484534919               0
 C    5.32958603       4.07800770      -1.64992762               0
 C    5.37293577       2.84272671      -2.37121439               0
 C    5.23916626       4.09528208      -4.48754311               0
 C    5.30445147       2.85415173      -3.80724168               0
 H    5.19974995       4.09580326      -5.58071756               0
 H    4.97582102       1.44933176       3.65201569               0
 C    5.10513115       1.47607887       2.56442571               0
 C    5.18046379      0.280302048       1.85515559               0
 C    5.38804960       1.56303406     -0.250921935               0
 C    5.34221029      0.317000389      0.424798399               0
 C    5.41675758       1.59392452      -1.68635142               0
 C    5.40794897      0.378339708      -2.41716337               0
 C    5.26678371       1.62799466      -4.51334524               0
 C    5.31969213      0.402710855      -3.85421896               0
 H    5.19251776       1.64838707      -5.60641909               0
 H    4.94236279      -1.01503921       3.59158635               0
 C    5.06034899     -0.996407747       2.50405979               0
 C    5.11133862      -2.16443896       1.79022646               0
 C    5.37087774     -0.903622150     -0.311025441               0
 C    5.27236462      -2.15773010      0.365620732               0
 C    5.40765667     -0.872708797      -1.73475099               0
 C    5.35211802      -2.09622574      -2.46973848               0
 C    5.25375891     -0.844970703      -4.56313562               0
 C    5.27607775      -2.04144144      -3.90011573               0
 H    5.19007874     -0.816887140      -5.65533400               0
 H    5.04161644      -3.12894416       2.30390644               0
 C    5.27925158      -3.35066915     -0.387379050               0
 H    5.21180487      -4.30694294      0.140945286               0
 C    5.31885004      -3.32070279      -1.76930523               0
 H    5.28366470      -4.25373554      -2.34045935               0
 H    5.23805714      -2.98375249      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead: -0.820347548     out: e-100-All-Rlx|G_1.00_1.24_1.24.out                          
 H    5.03176117       6.08987713       3.79680061               0
 C    5.10808992       5.15905094       3.22691917               0
 H    5.17450428       6.18889332       1.34854925               0
 C    5.20359802       5.21022129       1.83050537               0
 H    5.22808170       6.23118687     -0.615679264               0
 C    5.27010345       5.27414227      -1.13796449               0
 H    5.18982172       6.23868752      -3.06967902               0
 C    5.23490477       5.28346157      -2.53798389               0
 H    4.99536467       3.89415741       4.97394466               0
 C    5.08782434       3.94156408       3.88514256               0
 C    5.18564749       2.73163652       3.15526581               0
 C    5.30128002       4.04683208       1.05511665               0
 C    5.31800365       2.78176308       1.72453499               0
 C    5.32958603       4.07800770     -0.409927607               0
 C    5.37293577       2.84272671      -1.13121438               0
 C    5.23916626       4.09528208      -3.24754310               0
 C    5.30445147       2.85415173      -2.56724167               0
 H    5.19974995       4.09580326      -4.34071732               0
 H    4.97582102       1.44933176       4.89201546               0
 C    5.10513115       1.47607887       3.80442572               0
 C    5.18046379      0.280302048       3.09515572               0
 C    5.38804960       1.56303406      0.989078045               0
 C    5.34221029      0.317000389       1.66479838               0
 C    5.41675758       1.59392452     -0.446351409               0
 C    5.40794897      0.378339708      -1.17716336               0
 C    5.26678371       1.62799466      -3.27334523               0
 C    5.31969213      0.402710855      -2.61421895               0
 H    5.19251776       1.64838707      -4.36641884               0
 H    4.94236279      -1.01503921       4.83158636               0
 C    5.06034899     -0.996407747       3.74405980               0
 C    5.11133862      -2.16443896       3.03022647               0
 C    5.37087774     -0.903622150      0.928974569               0
 C    5.27236462      -2.15773010       1.60562074               0
 C    5.40765667     -0.872708797     -0.494750977               0
 C    5.35211802      -2.09622574      -1.22973847               0
 C    5.25375891     -0.844970703      -3.32313561               0
 C    5.27607775      -2.04144144      -2.66011572               0
 H    5.19007874     -0.816887140      -4.41533375               0
 H    5.04161644      -3.12894416       3.54390645               0
 C    5.27925158      -3.35066915      0.852620959               0
 H    5.21180487      -4.30694294       1.38094532               0
 C    5.31885004      -3.32070279     -0.529305220               0
 H    5.28366470      -4.25373554      -1.10045934               0
 H    5.23805714      -2.98375249      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead: -0.533973575     out: e-100-All-Rlx|G_1.60_0.00_0.00.out                          
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          94
 Ead: -0.496768266     out: e-100-All-Rlx|G_1.60_0.00_1.24.out                          
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          94
 Ead: -0.500526845     out: e-100-All-Rlx|G_1.60_1.24_0.00.out                          
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          94
 Ead: -0.466962248     out: e-100-All-Rlx|G_1.60_1.24_1.24.out                          
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 H    5.79251766       1.64838707      -4.36641884               0
 H    5.54236269      -1.01503921       4.83158636               0
 C    5.66034889     -0.996407747       3.74405980               0
 C    5.71133852      -2.16443896       3.03022647               0
 C    5.97087765     -0.903622150      0.928974569               0
 C    5.87236452      -2.15773010       1.60562074               0
 C    6.00765657     -0.872708797     -0.494750977               0
 C    5.95211792      -2.09622574      -1.22973847               0
 C    5.85375881     -0.844970703      -3.32313561               0
 C    5.87607765      -2.04144144      -2.66011572               0
 H    5.79007864     -0.816887140      -4.41533375               0
 H    5.64161634      -3.12894416       3.54390645               0
 C    5.87925148      -3.35066915      0.852620959               0
 H    5.81180477      -4.30694294       1.38094532               0
 C    5.91884995      -3.32070279     -0.529305220               0
 H    5.88366461      -4.25373554      -1.10045934               0
 H    5.83805704      -2.98375249      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead: -0.233586982     out: e-100-All-Rlx|G_2.40_0.00_0.00.out                          
 H    6.43176126       4.84987736       2.55680060               0
 C    6.50809002       3.91905117       1.98691928               0
 H    6.57450438       4.94889355      0.108549207               0
 C    6.60359812       3.97022128      0.590505362               0
 H    6.62808180       4.99118710      -1.85567927               0
 C    6.67010355       4.03414249      -2.37796450               0
 H    6.58982182       4.99868727      -4.30967903               0
 C    6.63490486       4.04346180      -3.77798390               0
 H    6.39536476       2.65415740       3.73394465               0
 C    6.48782444       2.70156407       2.64514256               0
 C    6.58564758       1.49163651       1.91526580               0
 C    6.70128012       2.80683231     -0.184883416               0
 C    6.71800375       1.54176319      0.484534919               0
 C    6.72958612       2.83800793      -1.64992762               0
 C    6.77293587       1.60272682      -2.37121439               0
 C    6.63916636       2.85528207      -4.48754311               0
 C    6.70445156       1.61415160      -3.80724168               0
 H    6.59975004       2.85580325      -5.58071756               0
 H    6.37582111      0.209331766       3.65201569               0
 C    6.50513124      0.236078843       2.56442571               0
 C    6.58046389     -0.959697962       1.85515559               0
 C    6.78804970      0.323034018     -0.250921935               0
 C    6.74221039     -0.922999620      0.424798399               0
 C    6.81675768      0.353924572      -1.68635142               0
 C    6.80794907     -0.861660302      -2.41716337               0
 C    6.66678381      0.387994617      -4.51334524               0
 C    6.71969223     -0.837289155      -3.85421896               0
 H    6.59251785      0.408387035      -5.60641909               0
 H    6.34236240      -2.25503922       3.59158635               0
 C    6.46034908      -2.23640776       2.50405979               0
 C    6.51133871      -3.40443897       1.79022646               0
 C    6.77087784      -2.14362216     -0.311025441               0
 C    6.67236471      -3.39773011      0.365620732               0
 C    6.80765676      -2.11270881      -1.73475099               0
 C    6.75211811      -3.33622575      -2.46973848               0
 C    6.65375900      -2.08497071      -4.56313562               0
 C    6.67607784      -3.28144145      -3.90011573               0
 H    6.59007883      -2.05688715      -5.65533400               0
 H    6.44161654      -4.36894417       2.30390644               0
 C    6.67925167      -4.59066916     -0.387379050               0
 H    6.61180496      -5.54694319      0.140945286               0
 C    6.71885014      -4.56070280      -1.76930523               0
 H    6.68366480      -5.49373531      -2.34045935               0
 H    6.63805723      -4.22375250      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead: -0.218909964     out: e-100-All-Rlx|G_2.40_0.00_1.24.out                          
 H    6.43176126       4.84987736       3.79680061               0
 C    6.50809002       3.91905117       3.22691917               0
 H    6.57450438       4.94889355       1.34854925               0
 C    6.60359812       3.97022128       1.83050537               0
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 C    6.67010355       4.03414249      -1.13796449               0
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 H    6.39536476       2.65415740       4.97394466               0
 C    6.48782444       2.70156407       3.88514256               0
 C    6.58564758       1.49163651       3.15526581               0
 C    6.70128012       2.80683231       1.05511665               0
 C    6.71800375       1.54176319       1.72453499               0
 C    6.72958612       2.83800793     -0.409927607               0
 C    6.77293587       1.60272682      -1.13121438               0
 C    6.63916636       2.85528207      -3.24754310               0
 C    6.70445156       1.61415160      -2.56724167               0
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 H    6.37582111      0.209331766       4.89201546               0
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 C    6.81675768      0.353924572     -0.446351409               0
 C    6.80794907     -0.861660302      -1.17716336               0
 C    6.66678381      0.387994617      -3.27334523               0
 C    6.71969223     -0.837289155      -2.61421895               0
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 C    6.46034908      -2.23640776       3.74405980               0
 C    6.51133871      -3.40443897       3.03022647               0
 C    6.77087784      -2.14362216      0.928974569               0
 C    6.67236471      -3.39773011       1.60562074               0
 C    6.80765676      -2.11270881     -0.494750977               0
 C    6.75211811      -3.33622575      -1.22973847               0
 C    6.65375900      -2.08497071      -3.32313561               0
 C    6.67607784      -3.28144145      -2.66011572               0
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 C    6.67925167      -4.59066916      0.852620959               0
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 C    6.71885014      -4.56070280     -0.529305220               0
 H    6.68366480      -5.49373531      -1.10045934               0
 H    6.63805723      -4.22375250      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
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 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead: -0.219991207     out: e-100-All-Rlx|G_2.40_1.24_0.00.out                          
 H    6.43176126       6.08987713       2.55680060               0
 C    6.50809002       5.15905094       1.98691928               0
 H    6.57450438       6.18889332      0.108549207               0
 C    6.60359812       5.21022129      0.590505362               0
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 C    6.67010355       5.27414227      -2.37796450               0
 H    6.58982182       6.23868752      -4.30967903               0
 C    6.63490486       5.28346157      -3.77798390               0
 H    6.39536476       3.89415741       3.73394465               0
 C    6.48782444       3.94156408       2.64514256               0
 C    6.58564758       2.73163652       1.91526580               0
 C    6.70128012       4.04683208     -0.184883416               0
 C    6.71800375       2.78176308      0.484534919               0
 C    6.72958612       4.07800770      -1.64992762               0
 C    6.77293587       2.84272671      -2.37121439               0
 C    6.63916636       4.09528208      -4.48754311               0
 C    6.70445156       2.85415173      -3.80724168               0
 H    6.59975004       4.09580326      -5.58071756               0
 H    6.37582111       1.44933176       3.65201569               0
 C    6.50513124       1.47607887       2.56442571               0
 C    6.58046389      0.280302048       1.85515559               0
 C    6.78804970       1.56303406     -0.250921935               0
 C    6.74221039      0.317000389      0.424798399               0
 C    6.81675768       1.59392452      -1.68635142               0
 C    6.80794907      0.378339708      -2.41716337               0
 C    6.66678381       1.62799466      -4.51334524               0
 C    6.71969223      0.402710855      -3.85421896               0
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 H    6.34236240      -1.01503921       3.59158635               0
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 C    6.77087784     -0.903622150     -0.311025441               0
 C    6.67236471      -2.15773010      0.365620732               0
 C    6.80765676     -0.872708797      -1.73475099               0
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 C    6.65375900     -0.844970703      -4.56313562               0
 C    6.67607784      -2.04144144      -3.90011573               0
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 H    6.68366480      -4.25373554      -2.34045935               0
 H    6.63805723      -2.98375249      -4.45696354               0
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 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead: -0.206613004     out: e-100-All-Rlx|G_2.40_1.24_1.24.out                          
 H    6.43176126       6.08987713       3.79680061               0
 C    6.50809002       5.15905094       3.22691917               0
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 C    6.67010355       5.27414227      -1.13796449               0
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 C    6.63490486       5.28346157      -2.53798389               0
 H    6.39536476       3.89415741       4.97394466               0
 C    6.48782444       3.94156408       3.88514256               0
 C    6.58564758       2.73163652       3.15526581               0
 C    6.70128012       4.04683208       1.05511665               0
 C    6.71800375       2.78176308       1.72453499               0
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 C    6.77293587       2.84272671      -1.13121438               0
 C    6.63916636       4.09528208      -3.24754310               0
 C    6.70445156       2.85415173      -2.56724167               0
 H    6.59975004       4.09580326      -4.34071732               0
 H    6.37582111       1.44933176       4.89201546               0
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 C    6.74221039      0.317000389       1.66479838               0
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 C    6.80794907      0.378339708      -1.17716336               0
 C    6.66678381       1.62799466      -3.27334523               0
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 H    6.34236240      -1.01503921       4.83158636               0
 C    6.46034908     -0.996407747       3.74405980               0
 C    6.51133871      -2.16443896       3.03022647               0
 C    6.77087784     -0.903622150      0.928974569               0
 C    6.67236471      -2.15773010       1.60562074               0
 C    6.80765676     -0.872708797     -0.494750977               0
 C    6.75211811      -2.09622574      -1.22973847               0
 C    6.65375900     -0.844970703      -3.32313561               0
 C    6.67607784      -2.04144144      -2.66011572               0
 H    6.59007883     -0.816887140      -4.41533375               0
 H    6.44161654      -3.12894416       3.54390645               0
 C    6.67925167      -3.35066915      0.852620959               0
 H    6.61180496      -4.30694294       1.38094532               0
 C    6.71885014      -3.32070279     -0.529305220               0
 H    6.68366480      -4.25373554      -1.10045934               0
 H    6.63805723      -2.98375249      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -7.87793025E-02 out: e-100-All-Rlx|G_3.40_0.00_0.00.out                          
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 C    7.77087784      -2.14362216     -0.311025441               0
 C    7.67236471      -3.39773011      0.365620732               0
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 H    7.63805723      -4.22375250      -4.45696354               0
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 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
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 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -7.46359602E-02 out: e-100-All-Rlx|G_3.40_0.00_1.24.out                          
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 C    7.81675768      0.353924572     -0.446351409               0
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 C    7.46034908      -2.23640776       3.74405980               0
 C    7.51133871      -3.40443897       3.03022647               0
 C    7.77087784      -2.14362216      0.928974569               0
 C    7.67236471      -3.39773011       1.60562074               0
 C    7.80765676      -2.11270881     -0.494750977               0
 C    7.75211811      -3.33622575      -1.22973847               0
 C    7.65375900      -2.08497071      -3.32313561               0
 C    7.67607784      -3.28144145      -2.66011572               0
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 C    7.67925167      -4.59066916      0.852620959               0
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 C    7.71885014      -4.56070280     -0.529305220               0
 H    7.68366480      -5.49373531      -1.10045934               0
 H    7.63805723      -4.22375250      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -7.47997761E-02 out: e-100-All-Rlx|G_3.40_1.24_0.00.out                          
 H    7.43176126       6.08987713       2.55680060               0
 C    7.50809002       5.15905094       1.98691928               0
 H    7.57450438       6.18889332      0.108549207               0
 C    7.60359812       5.21022129      0.590505362               0
 H    7.62808180       6.23118687      -1.85567927               0
 C    7.67010355       5.27414227      -2.37796450               0
 H    7.58982182       6.23868752      -4.30967903               0
 C    7.63490486       5.28346157      -3.77798390               0
 H    7.39536476       3.89415741       3.73394465               0
 C    7.48782444       3.94156408       2.64514256               0
 C    7.58564758       2.73163652       1.91526580               0
 C    7.70128012       4.04683208     -0.184883416               0
 C    7.71800375       2.78176308      0.484534919               0
 C    7.72958612       4.07800770      -1.64992762               0
 C    7.77293587       2.84272671      -2.37121439               0
 C    7.63916636       4.09528208      -4.48754311               0
 C    7.70445156       2.85415173      -3.80724168               0
 H    7.59975004       4.09580326      -5.58071756               0
 H    7.37582111       1.44933176       3.65201569               0
 C    7.50513124       1.47607887       2.56442571               0
 C    7.58046389      0.280302048       1.85515559               0
 C    7.78804970       1.56303406     -0.250921935               0
 C    7.74221039      0.317000389      0.424798399               0
 C    7.81675768       1.59392452      -1.68635142               0
 C    7.80794907      0.378339708      -2.41716337               0
 C    7.66678381       1.62799466      -4.51334524               0
 C    7.71969223      0.402710855      -3.85421896               0
 H    7.59251785       1.64838707      -5.60641909               0
 H    7.34236240      -1.01503921       3.59158635               0
 C    7.46034908     -0.996407747       2.50405979               0
 C    7.51133871      -2.16443896       1.79022646               0
 C    7.77087784     -0.903622150     -0.311025441               0
 C    7.67236471      -2.15773010      0.365620732               0
 C    7.80765676     -0.872708797      -1.73475099               0
 C    7.75211811      -2.09622574      -2.46973848               0
 C    7.65375900     -0.844970703      -4.56313562               0
 C    7.67607784      -2.04144144      -3.90011573               0
 H    7.59007883     -0.816887140      -5.65533400               0
 H    7.44161654      -3.12894416       2.30390644               0
 C    7.67925167      -3.35066915     -0.387379050               0
 H    7.61180496      -4.30694294      0.140945286               0
 C    7.71885014      -3.32070279      -1.76930523               0
 H    7.68366480      -4.25373554      -2.34045935               0
 H    7.63805723      -2.98375249      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -7.09920824E-02 out: e-100-All-Rlx|G_3.40_1.24_1.24.out                          
 H    7.43176126       6.08987713       3.79680061               0
 C    7.50809002       5.15905094       3.22691917               0
 H    7.57450438       6.18889332       1.34854925               0
 C    7.60359812       5.21022129       1.83050537               0
 H    7.62808180       6.23118687     -0.615679264               0
 C    7.67010355       5.27414227      -1.13796449               0
 H    7.58982182       6.23868752      -3.06967902               0
 C    7.63490486       5.28346157      -2.53798389               0
 H    7.39536476       3.89415741       4.97394466               0
 C    7.48782444       3.94156408       3.88514256               0
 C    7.58564758       2.73163652       3.15526581               0
 C    7.70128012       4.04683208       1.05511665               0
 C    7.71800375       2.78176308       1.72453499               0
 C    7.72958612       4.07800770     -0.409927607               0
 C    7.77293587       2.84272671      -1.13121438               0
 C    7.63916636       4.09528208      -3.24754310               0
 C    7.70445156       2.85415173      -2.56724167               0
 H    7.59975004       4.09580326      -4.34071732               0
 H    7.37582111       1.44933176       4.89201546               0
 C    7.50513124       1.47607887       3.80442572               0
 C    7.58046389      0.280302048       3.09515572               0
 C    7.78804970       1.56303406      0.989078045               0
 C    7.74221039      0.317000389       1.66479838               0
 C    7.81675768       1.59392452     -0.446351409               0
 C    7.80794907      0.378339708      -1.17716336               0
 C    7.66678381       1.62799466      -3.27334523               0
 C    7.71969223      0.402710855      -2.61421895               0
 H    7.59251785       1.64838707      -4.36641884               0
 H    7.34236240      -1.01503921       4.83158636               0
 C    7.46034908     -0.996407747       3.74405980               0
 C    7.51133871      -2.16443896       3.03022647               0
 C    7.77087784     -0.903622150      0.928974569               0
 C    7.67236471      -2.15773010       1.60562074               0
 C    7.80765676     -0.872708797     -0.494750977               0
 C    7.75211811      -2.09622574      -1.22973847               0
 C    7.65375900     -0.844970703      -3.32313561               0
 C    7.67607784      -2.04144144      -2.66011572               0
 H    7.59007883     -0.816887140      -4.41533375               0
 H    7.44161654      -3.12894416       3.54390645               0
 C    7.67925167      -3.35066915      0.852620959               0
 H    7.61180496      -4.30694294       1.38094532               0
 C    7.71885014      -3.32070279     -0.529305220               0
 H    7.68366480      -4.25373554      -1.10045934               0
 H    7.63805723      -2.98375249      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:   0.00000000     out: e-100-All-Rlx|G_6.00_0.00_0.00.out                          
 H    10.0317612       4.84987736       2.55680060               0
 C    10.1080894       3.91905117       1.98691928               0
 H    10.1745043       4.94889355      0.108549207               0
 C    10.2035980       3.97022128      0.590505362               0
 H    10.2280817       4.99118710      -1.85567927               0
 C    10.2701035       4.03414249      -2.37796450               0
 H    10.1898212       4.99868727      -4.30967903               0
 C    10.2349052       4.04346180      -3.77798390               0
 H    9.99536514       2.65415740       3.73394465               0
 C    10.0878239       2.70156407       2.64514256               0
 C    10.1856480       1.49163651       1.91526580               0
 C    10.3012800       2.80683231     -0.184883416               0
 C    10.3180037       1.54176319      0.484534919               0
 C    10.3295860       2.83800793      -1.64992762               0
 C    10.3729362       1.60272682      -2.37121439               0
 C    10.2391663       2.85528207      -4.48754311               0
 C    10.3044510       1.61415160      -3.80724168               0
 H    10.1997499       2.85580325      -5.58071756               0
 H    9.97582054      0.209331766       3.65201569               0
 C    10.1051311      0.236078843       2.56442571               0
 C    10.1804638     -0.959697962       1.85515559               0
 C    10.3880501      0.323034018     -0.250921935               0
 C    10.3422108     -0.922999620      0.424798399               0
 C    10.4167576      0.353924572      -1.68635142               0
 C    10.4079494     -0.861660302      -2.41716337               0
 C    10.2667837      0.387994617      -4.51334524               0
 C    10.3196926     -0.837289155      -3.85421896               0
 H    10.1925182      0.408387035      -5.60641909               0
 H    9.94236279      -2.25503922       3.59158635               0
 C    10.0603485      -2.23640776       2.50405979               0
 C    10.1113386      -3.40443897       1.79022646               0
 C    10.3708782      -2.14362216     -0.311025441               0
 C    10.2723646      -3.39773011      0.365620732               0
 C    10.4076567      -2.11270881      -1.73475099               0
 C    10.3521175      -3.33622575      -2.46973848               0
 C    10.2537594      -2.08497071      -4.56313562               0
 C    10.2760773      -3.28144145      -3.90011573               0
 H    10.1900787      -2.05688715      -5.65533400               0
 H    10.0416164      -4.36894417       2.30390644               0
 C    10.2792511      -4.59066916     -0.387379050               0
 H    10.2118053      -5.54694319      0.140945286               0
 C    10.3188496      -4.56070280      -1.76930523               0
 H    10.2836647      -5.49373531      -2.34045935               0
 H    10.2380571      -4.22375250      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -8.09265999E-04 out: e-100-All-Rlx|G_6.00_0.00_1.24.out                          
 H    10.0317612       4.84987736       3.79680061               0
 C    10.1080894       3.91905117       3.22691917               0
 H    10.1745043       4.94889355       1.34854925               0
 C    10.2035980       3.97022128       1.83050537               0
 H    10.2280817       4.99118710     -0.615679264               0
 C    10.2701035       4.03414249      -1.13796449               0
 H    10.1898212       4.99868727      -3.06967902               0
 C    10.2349052       4.04346180      -2.53798389               0
 H    9.99536514       2.65415740       4.97394466               0
 C    10.0878239       2.70156407       3.88514256               0
 C    10.1856480       1.49163651       3.15526581               0
 C    10.3012800       2.80683231       1.05511665               0
 C    10.3180037       1.54176319       1.72453499               0
 C    10.3295860       2.83800793     -0.409927607               0
 C    10.3729362       1.60272682      -1.13121438               0
 C    10.2391663       2.85528207      -3.24754310               0
 C    10.3044510       1.61415160      -2.56724167               0
 H    10.1997499       2.85580325      -4.34071732               0
 H    9.97582054      0.209331766       4.89201546               0
 C    10.1051311      0.236078843       3.80442572               0
 C    10.1804638     -0.959697962       3.09515572               0
 C    10.3880501      0.323034018      0.989078045               0
 C    10.3422108     -0.922999620       1.66479838               0
 C    10.4167576      0.353924572     -0.446351409               0
 C    10.4079494     -0.861660302      -1.17716336               0
 C    10.2667837      0.387994617      -3.27334523               0
 C    10.3196926     -0.837289155      -2.61421895               0
 H    10.1925182      0.408387035      -4.36641884               0
 H    9.94236279      -2.25503922       4.83158636               0
 C    10.0603485      -2.23640776       3.74405980               0
 C    10.1113386      -3.40443897       3.03022647               0
 C    10.3708782      -2.14362216      0.928974569               0
 C    10.2723646      -3.39773011       1.60562074               0
 C    10.4076567      -2.11270881     -0.494750977               0
 C    10.3521175      -3.33622575      -1.22973847               0
 C    10.2537594      -2.08497071      -3.32313561               0
 C    10.2760773      -3.28144145      -2.66011572               0
 H    10.1900787      -2.05688715      -4.41533375               0
 H    10.0416164      -4.36894417       3.54390645               0
 C    10.2792511      -4.59066916      0.852620959               0
 H    10.2118053      -5.54694319       1.38094532               0
 C    10.3188496      -4.56070280     -0.529305220               0
 H    10.2836647      -5.49373531      -1.10045934               0
 H    10.2380571      -4.22375250      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -7.32801971E-04 out: e-100-All-Rlx|G_6.00_1.24_0.00.out                          
 H    10.0317612       6.08987713       2.55680060               0
 C    10.1080894       5.15905094       1.98691928               0
 H    10.1745043       6.18889332      0.108549207               0
 C    10.2035980       5.21022129      0.590505362               0
 H    10.2280817       6.23118687      -1.85567927               0
 C    10.2701035       5.27414227      -2.37796450               0
 H    10.1898212       6.23868752      -4.30967903               0
 C    10.2349052       5.28346157      -3.77798390               0
 H    9.99536514       3.89415741       3.73394465               0
 C    10.0878239       3.94156408       2.64514256               0
 C    10.1856480       2.73163652       1.91526580               0
 C    10.3012800       4.04683208     -0.184883416               0
 C    10.3180037       2.78176308      0.484534919               0
 C    10.3295860       4.07800770      -1.64992762               0
 C    10.3729362       2.84272671      -2.37121439               0
 C    10.2391663       4.09528208      -4.48754311               0
 C    10.3044510       2.85415173      -3.80724168               0
 H    10.1997499       4.09580326      -5.58071756               0
 H    9.97582054       1.44933176       3.65201569               0
 C    10.1051311       1.47607887       2.56442571               0
 C    10.1804638      0.280302048       1.85515559               0
 C    10.3880501       1.56303406     -0.250921935               0
 C    10.3422108      0.317000389      0.424798399               0
 C    10.4167576       1.59392452      -1.68635142               0
 C    10.4079494      0.378339708      -2.41716337               0
 C    10.2667837       1.62799466      -4.51334524               0
 C    10.3196926      0.402710855      -3.85421896               0
 H    10.1925182       1.64838707      -5.60641909               0
 H    9.94236279      -1.01503921       3.59158635               0
 C    10.0603485     -0.996407747       2.50405979               0
 C    10.1113386      -2.16443896       1.79022646               0
 C    10.3708782     -0.903622150     -0.311025441               0
 C    10.2723646      -2.15773010      0.365620732               0
 C    10.4076567     -0.872708797      -1.73475099               0
 C    10.3521175      -2.09622574      -2.46973848               0
 C    10.2537594     -0.844970703      -4.56313562               0
 C    10.2760773      -2.04144144      -3.90011573               0
 H    10.1900787     -0.816887140      -5.65533400               0
 H    10.0416164      -3.12894416       2.30390644               0
 C    10.2792511      -3.35066915     -0.387379050               0
 H    10.2118053      -4.30694294      0.140945286               0
 C    10.3188496      -3.32070279      -1.76930523               0
 H    10.2836647      -4.25373554      -2.34045935               0
 H    10.2380571      -2.98375249      -4.45696354               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
          94
 Ead:  -1.52002799E-03 out: e-100-All-Rlx|G_6.00_1.24_1.24.out                          
 H    10.0317612       6.08987713       3.79680061               0
 C    10.1080894       5.15905094       3.22691917               0
 H    10.1745043       6.18889332       1.34854925               0
 C    10.2035980       5.21022129       1.83050537               0
 H    10.2280817       6.23118687     -0.615679264               0
 C    10.2701035       5.27414227      -1.13796449               0
 H    10.1898212       6.23868752      -3.06967902               0
 C    10.2349052       5.28346157      -2.53798389               0
 H    9.99536514       3.89415741       4.97394466               0
 C    10.0878239       3.94156408       3.88514256               0
 C    10.1856480       2.73163652       3.15526581               0
 C    10.3012800       4.04683208       1.05511665               0
 C    10.3180037       2.78176308       1.72453499               0
 C    10.3295860       4.07800770     -0.409927607               0
 C    10.3729362       2.84272671      -1.13121438               0
 C    10.2391663       4.09528208      -3.24754310               0
 C    10.3044510       2.85415173      -2.56724167               0
 H    10.1997499       4.09580326      -4.34071732               0
 H    9.97582054       1.44933176       4.89201546               0
 C    10.1051311       1.47607887       3.80442572               0
 C    10.1804638      0.280302048       3.09515572               0
 C    10.3880501       1.56303406      0.989078045               0
 C    10.3422108      0.317000389       1.66479838               0
 C    10.4167576       1.59392452     -0.446351409               0
 C    10.4079494      0.378339708      -1.17716336               0
 C    10.2667837       1.62799466      -3.27334523               0
 C    10.3196926      0.402710855      -2.61421895               0
 H    10.1925182       1.64838707      -4.36641884               0
 H    9.94236279      -1.01503921       4.83158636               0
 C    10.0603485     -0.996407747       3.74405980               0
 C    10.1113386      -2.16443896       3.03022647               0
 C    10.3708782     -0.903622150      0.928974569               0
 C    10.2723646      -2.15773010       1.60562074               0
 C    10.4076567     -0.872708797     -0.494750977               0
 C    10.3521175      -2.09622574      -1.22973847               0
 C    10.2537594     -0.844970703      -3.32313561               0
 C    10.2760773      -2.04144144      -2.66011572               0
 H    10.1900787     -0.816887140      -4.41533375               0
 H    10.0416164      -3.12894416       3.54390645               0
 C    10.2792511      -3.35066915      0.852620959               0
 H    10.2118053      -4.30694294       1.38094532               0
 C    10.3188496      -3.32070279     -0.529305220               0
 H    10.2836647      -4.25373554      -1.10045934               0
 H    10.2380571      -2.98375249      -3.21696353               0
 Cu   1.25256252      -2.78901649       1.41868806               6
 Cu   1.26208818      -2.81202698      -1.05369222               7
 Cu   1.28191411      -2.78777003      -3.52048588               6
 Cu   1.25146329     -0.318514228       1.44591761               7
 Cu   1.26781321     -0.320013970      -1.06032133               8
 Cu   1.29596603     -0.323328406      -3.56424975               7
 Cu   1.20918012       2.14297009       1.40198135               6
 Cu   1.25688946       2.17477965      -1.06613863               7
 Cu   1.25613868       2.13614321      -3.53295517               6
 Cu -0.528519988      -3.98463631       2.59536195               7
 Cu -0.507969975      -4.06548309      0.148123711               9
 Cu -0.487430006      -4.06914377      -2.28302526               9
 Cu -0.466899991      -3.99539685      -4.73251247               7
 Cu -0.534309983      -1.53673339       2.67461801               9
 Cu -0.513779998      -1.57348692      0.183508918              12
 Cu -0.493239999      -1.57314813      -2.32396913              12
 Cu -0.472710013      -1.54653931      -4.81860590               9
 Cu -0.540109992      0.888390541       2.67264056               9
 Cu -0.519580007      0.918441296      0.171693549              12
 Cu -0.499040008      0.917058289      -2.32862592              12
 Cu -0.478509992      0.876962781      -4.82723475               9
 Cu -0.545920014       3.34271979       2.58542657               7
 Cu -0.525380015       3.41862869      0.130834028               9
 Cu -0.504840016       3.41543412      -2.29827499               9
 Cu -0.484320015       3.32928729      -4.75158644               7
 Cu  -2.37576795      -5.08208370       3.67318940               3
 Cu  -2.30231667      -5.20225811       1.30664289               5
 Cu  -2.32460475      -5.16092300      -1.08222580               5
 Cu  -2.26460767      -5.20482731      -3.47077179               5
 Cu  -2.29390502      -5.09826660      -5.83951378               3
 Cu  -2.33367324      -2.71385646       3.78571033               5
 Cu  -2.42416549      -2.76779604       1.35253239               8
 Cu  -2.38495827      -2.74764562      -1.08707225               8
 Cu  -2.38303995      -2.77237511      -3.52594900               8
 Cu  -2.25144434      -2.73012733      -5.95747662               5
 Cu  -2.38207722     -0.326154649       3.74188042               5
 Cu  -2.41903067     -0.328720421       1.32912600               8
 Cu  -2.29836869     -0.330859840      -1.08938026               8
 Cu  -2.37759709     -0.335319698      -3.50996947               8
 Cu  -2.30365610     -0.342241615      -5.92179728               5
 Cu  -2.34592557       2.06244612       3.77467036               5
 Cu  -2.43175411       2.10965991       1.34160388               8
 Cu  -2.39735174       2.08728099      -1.09751189               8
 Cu  -2.39300656       2.10147166      -3.53671718               8
 Cu  -2.26431823       2.04585576      -5.96785402               5
 Cu  -2.40350032       4.43040276       3.65476084               3
 Cu  -2.32581115       4.54418612       1.28788245               5
 Cu  -2.34720087       4.50165701      -1.10146832               5
 Cu  -2.28731585       4.53447199      -3.49050784               5
 Cu  -2.32108521       4.41431427      -5.85862064               3
