10
Lattice="25.1732 0.0 0.0 0.0 25.1732 0.0 0.0 0.0 25.1732" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       2.88701362      18.01363984      22.98741104       1.00000000        6 
C       4.44883446      19.80315228      19.90273746       1.00000000        6 
C       3.15306917      22.20253584      19.89367511       1.00000000        6 
C       2.58478418      17.84002028      20.23074426       1.00000000        6 
C       0.13696411      19.02613112      20.42442686       1.00000000        6 
C       4.75108908      19.97677184      22.65937907       1.00000000        6 
C       0.48818135      21.72230670      20.21609346       1.00000000        6 
C       0.43919934      19.19975068      23.18106847       1.00000000        6 
C       3.45529861      22.37618057      22.65031672       1.00000000        6 
C       0.79041582      21.89595144      22.97273507       1.00000000        6 
10
Lattice="25.1732 0.0 0.0 0.0 25.1732 0.0 0.0 0.0 25.1732" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      14.53188420       8.05013763      23.46459422       1.00000000        6 
C      15.31396518       7.35470280       0.79074308       1.00000000        6 
C      13.08890603       9.77173278       2.78976954       1.00000000        6 
C      12.94186937       7.11543154       2.15844583       1.00000000        6 
C      11.01209186       7.02855883       0.29782413       1.00000000        6 
C      12.48235778      11.03107245       0.41654849       1.00000000        6 
C      15.76549687       9.79265171       1.99015040       1.00000000        6 
C      12.02609353       8.95622179      23.90779358       1.00000000        6 
C      15.85624626      10.32352932      22.94934917       1.00000000        6 
C      15.14465024      11.59359278      25.20189745       1.00000000        6 
11
Lattice="25.9858 0.0 0.0 0.0 25.9858 0.0 0.0 0.0 25.9858" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      23.02934356      25.57228796      24.70992321       1.00000000        6 
C      20.53031516      24.56081669      24.70815617       1.00000000        6 
C      22.03208652       2.23838043      21.52684461       1.00000000        6 
C      21.98221977      24.45700341      20.58784772       1.00000000        6 
C      20.77044994       2.74321696      23.85530222       1.00000000        6 
C      23.58933755       0.06221702      22.11599466       1.00000000        6 
C      18.45236067      25.72051097      21.64006474       1.00000000        6 
C      22.63610045       2.06701967      25.66900711       1.00000000        6 
C      20.40036018       0.68176605      19.98936876       1.00000000        6 
C      20.03422025      23.50992495      22.23854370       1.00000000        6 
C      18.97309011       0.75117152      24.11898013       1.00000000        6 
11
Lattice="25.9858 0.0 0.0 0.0 25.9858 0.0 0.0 0.0 25.9858" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      20.57864875      23.92715295      24.14021053       1.00000000        6 
C      20.38521046       0.49789313      24.99898925       1.00000000        6 
C      18.14796300      21.32870288      25.38108445       1.00000000        6 
C      19.07482452       0.35280401       1.41525423       1.00000000        6 
C      16.67321688       0.72628232       0.14999809       1.00000000        6 
C      17.95512238       0.60919291      23.69341068       1.00000000        6 
C      20.53701950      22.33814727       0.34169508       1.00000000        6 
C      15.74830430      24.22432656      25.61953015       1.00000000        6 
C      19.16912699      23.76346840       2.24050607       1.00000000        6 
C      16.82499994      22.56653646       1.47851406       1.00000000        6 
C      17.75102991      23.65606909      23.61745419       1.00000000        6 
12
Lattice="26.7505 0.0 0.0 0.0 26.7505 0.0 0.0 0.0 26.7505" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       0.49738007       6.53849096      17.55405261       1.00000000        6 
C       2.29081117      11.49525161      19.39181196       1.00000000        6 
C      25.41899386      10.39527105      18.53296040       1.00000000        6 
C       3.71896151       9.35879618      18.47338704       1.00000000        6 
C       1.89822618       7.63732125      19.56788375       1.00000000        6 
C      26.49441746       8.91556714      14.57904925       1.00000000        6 
C       1.80324585       7.15704277      15.23895734       1.00000000        6 
C       0.48923187      12.11674598      17.43846370       1.00000000        6 
C       0.43482938       9.74044556      20.50749506       1.00000000        6 
C       1.38795772      11.01572215      15.15694030       1.00000000        6 
C      25.22764754       8.26363071      16.90669051       1.00000000        6 
C       3.40817420       9.29060915      15.80430240       1.00000000        6 
12
Lattice="26.7505 0.0 0.0 0.0 26.7505 0.0 0.0 0.0 26.7505" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      18.02068833      20.75568620      20.73195851       1.00000000        6 
C      21.82720423      21.65255021      21.41077919       1.00000000        6 
C      17.59292108      22.17437222      24.83933728       1.00000000        6 
C      18.02448690      23.44718776      20.84714616       1.00000000        6 
C      20.99884824      20.66534976      23.77688767       1.00000000        6 
C      20.61976691      24.05867744      21.30995656       1.00000000        6 
C      20.22407351      22.79431505      25.30856780       1.00000000        6 
C      18.21880253      26.24036796      23.97904120       1.00000000        6 
C      18.36769581      20.04540692      23.30765715       1.00000000        6 
C      16.79752172      24.11680627      23.15009670       1.00000000        6 
C      20.41357405      20.20933399      19.64002985       1.00000000        6 
C      20.60403761      25.01367029      23.82894414       1.00000000        6 
13
Lattice="27.4739 0.0 0.0 0.0 27.4739 0.0 0.0 0.0 27.4739" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      18.55614680       2.06593013      15.14317410       1.00000000        6 
C      16.63959501       0.61076403      13.50130636       1.00000000        6 
C      16.28416516       2.95737302      10.14558927       1.00000000        6 
C      16.20075440       5.46835011      11.10159856       1.00000000        6 
C      13.35528258       3.08152757      13.45438094       1.00000000        6 
C      14.79722275       1.84761428      15.38865339       1.00000000        6 
C      18.24404330       5.76929921      12.89899605       1.00000000        6 
C      16.65434849       3.56743097      16.35642152       1.00000000        6 
C      14.38676268       5.54524955      13.15090424       1.00000000        6 
C      19.58323108       3.44324894      13.04762985       1.00000000        6 
C      16.43005157       5.84619865      14.94827425       1.00000000        6 
C      18.33270157       1.69773317      11.39458023       1.00000000        6 
C      14.57377752       1.47941731      11.64008700       1.00000000        6 
13
Lattice="27.4739 0.0 0.0 0.0 27.4739 0.0 0.0 0.0 27.4739" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       1.28156402      26.02201428      22.03033135       1.00000000        6 
C      25.20848463      25.72554343      19.85505784       1.00000000        6 
C       0.79203133      23.38647053      21.80996320       1.00000000        6 
C      23.82586061      26.65325461      21.98313119       1.00000000        6 
C      27.37282352      26.94972546      24.15840470       1.00000000        6 
C      25.94082891      23.19212016      20.38404031       1.00000000        6 
C      26.97250132      22.60115657      24.07859302       1.00000000        6 
C      26.03597102      24.88269912      25.24216763       1.00000000        6 
C      23.71088234      24.68834875      23.81624475       1.00000000        6 
C      26.71037285       2.05785006      20.88697753       1.00000000        6 
C      25.47764643       1.02965309      23.03722231       1.00000000        6 
C      24.60081691      22.40290491      22.62409728       1.00000000        6 
C      27.49505490      27.14992777      19.93217708       1.00000000        6 
14
Lattice="28.161 0.0 0.0 0.0 28.161 0.0 0.0 0.0 28.161" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       4.13161295       6.38139524       7.47116962       1.00000000        6 
C       6.40043208       9.58713084       5.53760720       1.00000000        6 
C       8.93317610       6.06821676       4.93152616       1.00000000        6 
C       7.74590834       4.13012042       6.45551500       1.00000000        6 
C       5.71583817       3.10156806       5.04301556       1.00000000        6 
C       3.47349038       8.10417258       3.50103184       1.00000000        6 
C       6.72757842       6.05878283       8.10828409       1.00000000        6 
C       3.19311947       5.44811154       3.29849793       1.00000000        6 
C       8.15013133       7.95962217       6.74754457       1.00000000        6 
C       7.42802697       6.39550390       2.72324192       1.00000000        6 
C       5.62918677       4.39424244       2.63263390       1.00000000        6 
C       3.42358909       4.38480851       5.80941717       1.00000000        6 
C       6.08547946       8.71704042       2.96228375       1.00000000        6 
C       3.87990994       8.70760649       6.13906984       1.00000000        6 
14
Lattice="28.161 0.0 0.0 0.0 28.161 0.0 0.0 0.0 28.161" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       8.99712973      13.56839222      12.64879476       1.00000000        6 
C       6.53501350       8.70816971      14.64239643       1.00000000        6 
C       5.92617268      11.55983705      14.69657820       1.00000000        6 
C       7.64993565      15.45822060      14.04721370       1.00000000        6 
C       5.34633769      14.28125977      14.98917099       1.00000000        6 
C       8.60129871       9.14674912      16.38522440       1.00000000        6 
C      10.76428880      12.33325075      14.26827755       1.00000000        6 
C       7.14576927      11.68416787      12.24634591       1.00000000        6 
C       7.62149304      11.69799492      16.98446232       1.00000000        6 
C       8.23889480       9.22503670      12.51776163       1.00000000        6 
C       9.96474169      13.08957073      16.70313393       1.00000000        6 
C       8.68927368      15.47114650      16.57150942       1.00000000        6 
C       6.37615730      14.27883792      17.52664605       1.00000000        6 
C      10.28512939       9.66634773      14.27007985       1.00000000        6 
14
Lattice="28.161 0.0 0.0 0.0 28.161 0.0 0.0 0.0 28.161" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       9.67848512      11.30833116       6.12473589       1.00000000        6 
C      13.18317790      15.58303016      11.53404158       1.00000000        6 
C       9.47654259      13.92186909       6.70220536       1.00000000        6 
C      13.88770979      13.17422270      10.55662959       1.00000000        6 
C      15.17131634      13.78106409       8.25902992       1.00000000        6 
C       9.83627121      13.99227159       9.37048827       1.00000000        6 
C      11.81624296      14.92834323       5.82642642       1.00000000        6 
C      11.18450724      16.26762406       9.86347473       1.00000000        6 
C      15.06092522      16.47077752       8.17299806       1.00000000        6 
C      12.04015107      10.98819691       7.35956758       1.00000000        6 
C      13.56870199      12.92291393       6.27581966       1.00000000        6 
C      12.46811378      16.87446545       7.56587507       1.00000000        6 
C      11.58873024      11.98684229       9.81988150       1.00000000        6 
C      15.20192734      17.17361976      10.75967040       1.00000000        6 
14
Lattice="28.161 0.0 0.0 0.0 28.161 0.0 0.0 0.0 28.161" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       0.59541084      11.51294899       7.34103764       1.00000000        6 
C       0.21843389      10.82812979       1.68955580       1.00000000        6 
C      27.74672353      15.57331461       3.99255394       1.00000000        6 
C      -0.02899457      14.70246385       1.30419505       1.00000000        6 
C      26.58088629      13.07289942       4.42927472       1.00000000        6 
C      26.71239816      13.30201732       7.26615754       1.00000000        6 
C       2.04281584      12.88909257       1.38009176       1.00000000        6 
C      26.31797519      12.63246138       1.61403645       1.00000000        6 
C       2.31424000      15.40767161       4.16746191       1.00000000        6 
C       2.91891581      12.88331957       7.02583157       1.00000000        6 
C      27.77699660      15.77427151       6.90485191       1.00000000        6 
C       2.31884996      15.52744034       6.90327490       1.00000000        6 
C       2.84459893      12.72091508       4.11195658       1.00000000        6 
C       0.50337224      11.24930570       4.50559103       1.00000000        6 
15
Lattice="28.8161 0.0 0.0 0.0 28.8161 0.0 0.0 0.0 28.8161" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      11.65386479       4.27625161       1.05046787       1.00000000        6 
C      10.04327533       1.92169672      25.20431884       1.00000000        6 
C       7.35456031       4.56824515       0.95193410       1.00000000        6 
C      11.13010336       3.95587421      27.09413631       1.00000000        6 
C       8.79490425       1.77357620       3.19815486       1.00000000        6 
C      12.96234626       1.63893586      27.50035687       1.00000000        6 
C      10.62080761       0.20131360       2.01158855       1.00000000        6 
C       6.64974732       1.98136910       1.51085118       1.00000000        6 
C       8.36966506       4.59438135      27.28334282       1.00000000        6 
C      11.18419118      28.66011845      26.51899577       1.00000000        6 
C       9.48179362       4.36218122       2.62515247       1.00000000        6 
C       9.52735188      28.07088684      28.55280729       1.00000000        6 
C       7.19206632       0.53344364      28.13076669       1.00000000        6 
C      12.69450061       1.79148253       1.36874746       1.00000000        6 
C       7.52872481       2.29187411      26.12162175       1.00000000        6 
15
Lattice="28.8161 0.0 0.0 0.0 28.8161 0.0 0.0 0.0 28.8161" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      20.56901863      25.54106379       0.59784763       1.00000000        6 
C      24.15866902      25.70358659      27.03849242       1.00000000        6 
C      22.09313097      23.52108399      23.95223048       1.00000000        6 
C      23.18511708      24.94748094       0.61366478       1.00000000        6 
C      24.28021533      23.49612925      25.50556235       1.00000000        6 
C      19.01018288      25.42873863      25.70344251       1.00000000        6 
C      21.10223174      26.00047887      23.96156690       1.00000000        6 
C      20.08113324      22.46563670      25.44542315       1.00000000        6 
C      20.74427815      21.36163427       0.37868678       1.00000000        6 
C      23.99389856      21.34970441      27.09623989       1.00000000        6 
C      19.32171374      23.47212544      28.16678682       1.00000000        6 
C      23.30167821      22.26715140       0.76076233       1.00000000        6 
C      21.43500007      20.44620441      26.71964228       1.00000000        6 
C      22.38477872      27.39552390      25.91774785       1.00000000        6 
C      20.13078338      27.28798222      27.44275349       1.00000000        6 
15
Lattice="28.8161 0.0 0.0 0.0 28.8161 0.0 0.0 0.0 28.8161" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      23.83241314       0.76778193       3.14412467       1.00000000        6 
C      23.38417870      24.46849973       2.79702898       1.00000000        6 
C      22.79091283       0.56957039       0.67236894       1.00000000        6 
C      25.23541141      25.99753963       1.58044782       1.00000000        6 
C      19.60578285      28.53960952       3.52066465       1.00000000        6 
C      21.96939464      25.72954990       4.73713631       1.00000000        6 
C      21.94582307      25.54063155      27.66345600       1.00000000        6 
C      25.96826247      27.97190353       3.23109166       1.00000000        6 
C      19.56855245      26.67417047      28.40368398       1.00000000        6 
C      19.37029768      25.83850357       3.87469925       1.00000000        6 
C      22.02457747      28.49013228       4.79015794       1.00000000        6 
C      21.68696804      23.69749616       0.85605717       1.00000000        6 
C      23.91998527      27.20637502      28.38913185       1.00000000        6 
C      19.21800460      24.70389845       1.45316711       1.00000000        6 
C      20.14475919       0.12584740       0.91398618       1.00000000        6 
15
Lattice="28.8161 0.0 0.0 0.0 28.8161 0.0 0.0 0.0 28.8161" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      11.57704107      26.15916913      22.53122214       1.00000000        6 
C       9.97979346      28.37838344      22.27769809       1.00000000        6 
C      10.82456625      21.75745222      18.81480972       1.00000000        6 
C      11.72207250      24.03980261      15.82179668       1.00000000        6 
C       9.26849685      24.59284120      22.59839247       1.00000000        6 
C       7.52022407      27.17291953      19.47876148       1.00000000        6 
C       9.65927198       0.06462212      19.61434124       1.00000000        6 
C      10.31074637      26.29745760      16.36114763       1.00000000        6 
C       9.73923666      24.00816253      19.97693422       1.00000000        6 
C       7.70640489      26.77586249      22.20450520       1.00000000        6 
C      12.13062717      25.45911080      19.86504131       1.00000000        6 
C      11.61280185      27.58369304      18.31257392       1.00000000        6 
C       8.36980914      25.05946031      17.85534886       1.00000000        6 
C       9.49706616      22.54511150      16.50269231       1.00000000        6 
C      13.00899953      23.37100974      18.16869513       1.00000000        6 
15
Lattice="28.8161 0.0 0.0 0.0 28.8161 0.0 0.0 0.0 28.8161" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       4.67858200      15.59763624      25.57653641       1.00000000        6 
C       4.48485136      14.24699682      27.90144817       1.00000000        6 
C       6.35063620      13.96310060      21.91326088       1.00000000        6 
C       4.90781407      11.62453000      27.44235006       1.00000000        6 
C       1.32682292      13.06297208      25.76816347       1.00000000        6 
C       2.67305059      14.64379451      24.05472935       1.00000000        6 
C       8.54175481      13.12982544      25.02410295       1.00000000        6 
C       3.98523781      10.60720641      23.38357356       1.00000000        6 
C       2.89065826      10.87242979      25.82579567       1.00000000        6 
C       6.57885971      10.00745692      23.77089076       1.00000000        6 
C       8.05510851      11.93467769      22.53894486       1.00000000        6 
C       1.80435756      14.21253276      28.15736395       1.00000000        6 
C       3.84478814      13.04098540      22.24064059       1.00000000        6 
C       6.98165116      15.24325584      24.23621315       1.00000000        6 
C       7.22431153      11.03783421      26.21115338       1.00000000        6 
16
Lattice="29.4428 0.0 0.0 0.0 29.4428 0.0 0.0 0.0 29.4428" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      12.87878125      29.15043300      21.00599510       1.00000000        6 
C      12.98400981       0.11385560      27.35009410       1.00000000        6 
C       8.98441153       0.17216236      22.92666672       1.00000000        6 
C      12.78724358       3.92310589      25.22361732       1.00000000        6 
C      10.40632212      27.79217775      24.29834788       1.00000000        6 
C      11.97727215       2.65503982      27.44828584       1.00000000        6 
C      11.45504521       3.30139172      21.14487679       1.00000000        6 
C      12.92474146      27.85969009      23.36080080       1.00000000        6 
C      14.38304334      29.33786586      25.06798268       1.00000000        6 
C       8.81055180       2.37738833      24.45398253       1.00000000        6 
C       9.46845117       1.67988545      26.96274463       1.00000000        6 
C      10.39292564       0.81497376      20.73211818       1.00000000        6 
C      13.94090081       2.19404801      21.41875372       1.00000000        6 
C      10.47521827      28.58150977      26.86455289       1.00000000        6 
C      10.66798028       4.11339470      23.58091518       1.00000000        6 
C      14.60831021       2.35813274      24.01507871       1.00000000        6 
16
Lattice="29.4428 0.0 0.0 0.0 29.4428 0.0 0.0 0.0 29.4428" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      22.59802618      17.27026320      13.29542631       1.00000000        6 
C      22.06181391      12.83868015      12.44555989       1.00000000        6 
C      21.52901700      15.39664118      11.59151259       1.00000000        6 
C      27.60871966      16.12058074      16.12897194       1.00000000        6 
C      26.19714350      15.78181188      13.78918207       1.00000000        6 
C      25.26277624      16.12484995      17.58683218       1.00000000        6 
C      25.78588647      13.56691837      18.44691526       1.00000000        6 
C      23.47341951      13.17744901      14.78537920       1.00000000        6 
C      25.88148724      13.17306203      13.28889001       1.00000000        6 
C      24.94396960      17.26596455      11.83753663       1.00000000        6 
C      27.07253683      11.68899770      15.27913496       1.00000000        6 
C      23.78904633      15.78619886      15.28564182       1.00000000        6 
C      28.14151657      13.56261972      16.98301924       1.00000000        6 
C      24.40775733      12.83438151      10.98769965       1.00000000        6 
C      24.72656397      11.69326691      16.73699520       1.00000000        6 
C      23.88464710      15.39234253      10.12764602       1.00000000        6 
16
Lattice="29.4428 0.0 0.0 0.0 29.4428 0.0 0.0 0.0 29.4428" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      13.94204908      24.50162098      23.99485150       1.00000000        6 
C      17.12184204      28.25142654      20.00926799       1.00000000        6 
C      19.75638379      25.14915648      24.27311540       1.00000000        6 
C      17.56433788      26.84188193      24.73336525       1.00000000        6 
C      15.46521346      24.32837954      21.75257618       1.00000000        6 
C      17.00651459      26.48459356      22.07235443       1.00000000        6 
C      18.04278338      23.04261246      24.78524347       1.00000000        6 
C      15.11566853      24.37277928      19.04039377       1.00000000        6 
C      16.06640599      24.74505405      25.67962740       1.00000000        6 
C      17.53987092      23.35008362      18.23949073       1.00000000        6 
C      18.32855520      25.78388436      17.28778166       1.00000000        6 
C      19.49949536      25.34830758      21.46618607       1.00000000        6 
C      18.94273201      22.90852995      20.50078610       1.00000000        6 
C      15.86887424      26.83175361      18.04463828       1.00000000        6 
C      19.57772487      27.14237515      19.31809826       1.00000000        6 
C      17.11701342      22.29049614      22.35447534       1.00000000        6 
16
Lattice="29.4428 0.0 0.0 0.0 29.4428 0.0 0.0 0.0 29.4428" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       9.69448354      10.00469288      25.15463284       1.00000000        6 
C       8.97242831      14.27401665      24.09955010       1.00000000        6 
C       5.78174152      11.35093547      23.03342631       1.00000000        6 
C      12.20978195       9.69948882      24.08541755       1.00000000        6 
C      12.77458318      12.34015466      24.71949770       1.00000000        6 
C      12.68766803      12.99720019      22.05707362       1.00000000        6 
C       8.37229572      14.48194171      19.71757817       1.00000000        6 
C      10.24998085      12.60193060      25.77829023       1.00000000        6 
C       9.46683181      10.99903512      21.10910379       1.00000000        6 
C      12.12319067      10.35809481      21.42337624       1.00000000        6 
C       6.33723883      13.94817319      23.65708370       1.00000000        6 
C       7.80784780      11.84283633      19.08388079       1.00000000        6 
C      10.03233967      13.64299856      21.74397888       1.00000000        6 
C       5.40717022      12.04001476      20.39750076       1.00000000        6 
C       5.97197145      14.68068061      21.03158090       1.00000000        6 
C       8.03090646       9.87196474      23.04252414       1.00000000        6 
17
Lattice="30.0438 0.0 0.0 0.0 30.0438 0.0 0.0 0.0 30.0438" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      15.25428879      29.64728193      14.38136618       1.00000000        6 
C      14.92176401       3.97566601      14.54774875       1.00000000        6 
C      16.46015679      28.29984754      12.32000098       1.00000000        6 
C      14.49336947       5.78135848      12.60325392       1.00000000        6 
C      15.39615562      29.37328247      10.03075355       1.00000000        6 
C      16.17224706       1.77195028      10.78557398       1.00000000        6 
C      18.79395918       1.77422760      11.27757125       1.00000000        6 
C      16.81061772       5.59496674      11.15880811       1.00000000        6 
C      17.65013162       0.70406744      15.17902907       1.00000000        6 
C      18.79083462      29.69430047      12.92523333       1.00000000        6 
C      14.60588350       1.81269267      13.01896999       1.00000000        6 
C      12.72613307      29.87330144      10.07044141       1.00000000        6 
C      18.62919898       4.12645584      12.57432175       1.00000000        6 
C      12.31164880       1.99207819      11.66174132       1.00000000        6 
C      15.48141992       3.94988843       9.39397521       1.00000000        6 
C      13.08007907       4.41616821      10.63301156       1.00000000        6 
C      17.52743274       3.42261974      14.93011619       1.00000000        6 
17
Lattice="30.0438 0.0 0.0 0.0 30.0438 0.0 0.0 0.0 30.0438" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      24.59520665      16.29638804       6.22354313       1.00000000        6 
C      25.21672274      19.51230644      10.82442061       1.00000000        6 
C      27.27277019      13.34149018       8.02085337       1.00000000        6 
C      22.85588094      17.46764558       7.93778227       1.00000000        6 
C      27.13495928      17.23567740       6.16688052       1.00000000        6 
C      22.81745492      15.97527991      10.16793354       1.00000000        6 
C      26.84007939      15.58591226      11.74087669       1.00000000        6 
C      28.60521272      16.87337922      10.17619559       1.00000000        6 
C      24.61464499      17.08969458      11.82773332       1.00000000        6 
C      25.08522103      20.99457740       6.79221217       1.00000000        6 
C      23.58053739      19.92781219       8.73036775       1.00000000        6 
C      23.70630074      13.53482203       9.49684518       1.00000000        6 
C      26.21787229      13.26211446      10.54182863       1.00000000        6 
C      27.41115194      19.72017949       7.14504656       1.00000000        6 
C      27.69822045      19.37777030       9.79743340       1.00000000        6 
C      28.59625967      15.66204325       7.77635693       1.00000000        6 
C      24.76916025      13.71986180       6.98133789       1.00000000        6 
17
Lattice="30.0438 0.0 0.0 0.0 30.0438 0.0 0.0 0.0 30.0438" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      15.80670414      14.23331034      14.29886591       1.00000000        6 
C      15.35574671      12.66745753      12.10242378       1.00000000        6 
C      18.47708722      10.39647673      11.36926493       1.00000000        6 
C      16.15160697      10.15183006      12.84916243       1.00000000        6 
C      17.65361670      12.99926125      10.59659848       1.00000000        6 
C      19.00336446      15.23962742      11.57692767       1.00000000        6 
C      16.40421524      12.85051440      16.63648386       1.00000000        6 
C      20.63753688      10.07431706      13.11015292       1.00000000        6 
C      17.52511937      16.26826704      13.67795069       1.00000000        6 
C      19.64609148      15.95205605      15.38705235       1.00000000        6 
C      19.02208175      13.75393146      16.88984322       1.00000000        6 
C      17.01323311      10.41961045      15.43091629       1.00000000        6 
C      22.00849556      12.35001473      14.10586454       1.00000000        6 
C      21.19785375      14.91251052      13.34521561       1.00000000        6 
C      18.64692482      12.72712451      13.83045302       1.00000000        6 
C      20.94906104      11.83356181      16.60956461       1.00000000        6 
C      19.62397924       9.63414535      15.64720161       1.00000000        6 
17
Lattice="30.0438 0.0 0.0 0.0 30.0438 0.0 0.0 0.0 30.0438" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      21.58421702      20.10062413       5.27463975       1.00000000        6 
C      16.78556119      19.96662878      10.96526595       1.00000000        6 
C      21.37697488      20.60851457      10.43033609       1.00000000        6 
C      22.28081256      22.18914893       8.42818721       1.00000000        6 
C      14.31283628      18.68829513       8.31648437       1.00000000        6 
C      17.89943508      21.08978620       7.23472730       1.00000000        6 
C      15.91366007      17.29928013       6.60552000       1.00000000        6 
C      19.93328016      18.01405217       5.63501513       1.00000000        6 
C      15.70503592      17.54203403      10.43823761       1.00000000        6 
C      22.44401048      18.29934810       9.22900470       1.00000000        6 
C      23.44317714      19.94487707       7.25942331       1.00000000        6 
C      15.48105940      21.14137140       8.76699115       1.00000000        6 
C      17.40172949      16.26373043       8.67682970       1.00000000        6 
C      17.50811458      19.11605876       5.43666596       1.00000000        6 
C      18.99083620      19.85564698       9.40337892       1.00000000        6 
C      20.32514144      22.23012867       6.48164941       1.00000000        6 
C      19.85282286      17.52553999       8.28767236       1.00000000        6 
17
Lattice="30.0438 0.0 0.0 0.0 30.0438 0.0 0.0 0.0 30.0438" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      24.80202817      28.56387246       0.70833666       1.00000000        6 
C      21.99257234      26.64897078      28.02401541       1.00000000        6 
C      26.55466329       2.23899917      29.35068953       1.00000000        6 
C      26.07182938      28.09678150      28.43273127       1.00000000        6 
C      24.95690396       1.16642350       1.18944306       1.00000000        6 
C      20.84474897      28.41305258      26.28601163       1.00000000        6 
C      22.22165632      27.90750556       0.35032573       1.00000000        6 
C      22.54201336       3.90752667      28.85253329       1.00000000        6 
C      24.24330362       1.40571635      25.97361620       1.00000000        6 
C      24.37435468      26.94538291      26.72423049       1.00000000        6 
C      25.03459723       3.85431910      27.80082002       1.00000000        6 
C      23.30329321      28.95233879      25.18139123       1.00000000        6 
C      20.13409292       0.52199901      27.69554655       1.00000000        6 
C      21.73296387       2.43648909      26.74084472       1.00000000        6 
C      20.84363735       0.16602624       0.21689701       1.00000000        6 
C      26.51903134       0.44636074      27.33505099       1.00000000        6 
C      22.48937662       2.19246133       0.88309544       1.00000000        6 
18
Lattice="30.6217 0.0 0.0 0.0 30.6217 0.0 0.0 0.0 30.6217" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       3.57192944       3.06296616      23.89481681       1.00000000        6 
C      28.36852469       3.68449481      24.81533573       1.00000000        6 
C       2.55584631       3.82115946      21.45050085       1.00000000        6 
C       2.42064845       4.99424616      25.48172517       1.00000000        6 
C       2.39908771       7.24077656      24.02698007       1.00000000        6 
C      28.86177904       7.77056259      24.01607874       1.00000000        6 
C       1.39738453       1.40070393      24.26328773       1.00000000        6 
C       0.17653012       3.27878791      25.86198544       1.00000000        6 
C       0.03489006       4.11763876      28.47922214       1.00000000        6 
C      28.97608984       6.27711166      28.17174965       1.00000000        6 
C       0.47384325       8.67246352      25.20652795       1.00000000        6 
C       0.40897424       2.18005987      21.81428665       1.00000000        6 
C       1.63252857       6.36193377      21.62124745       1.00000000        6 
C      28.87990708       3.78254549      22.19301583       1.00000000        6 
C       2.20944752       5.77990712      28.11072060       1.00000000        6 
C      27.72124320       6.09307524      25.77829633       1.00000000        6 
C       0.50125273       7.91822043      27.80796385       1.00000000        6 
C      29.57397853       6.35035877      21.81229624       1.00000000        6 
18
Lattice="30.6217 0.0 0.0 0.0 30.6217 0.0 0.0 0.0 30.6217" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      11.07121439       8.37099289      13.33562786       1.00000000        6 
C      10.38403282      12.38837620      15.11275822       1.00000000        6 
C       4.57175857       9.95566586      14.37413220       1.00000000        6 
C       7.18256471      10.42221808      14.77490901       1.00000000        6 
C       9.13136032       6.45162473      13.10896604       1.00000000        6 
C       7.78443422       9.96800641      12.11636363       1.00000000        6 
C       8.04572919      13.81948134      11.60439943       1.00000000        6 
C       5.29283836       7.33849040      13.69705579       1.00000000        6 
C       6.42421831      11.77989239      10.72295380       1.00000000        6 
C      10.42546398      12.75363183      12.44067806       1.00000000        6 
C      10.37463196      10.22813775      11.52135338       1.00000000        6 
C       6.35357405      14.10481435      13.73713959       1.00000000        6 
C       7.06072096       7.46008918      11.60510373       1.00000000        6 
C       8.36569533       8.76408365      16.51054696       1.00000000        6 
C       7.46667284       6.55053282      15.27979960       1.00000000        6 
C       7.75966127      12.87706791      15.67065498       1.00000000        6 
C       4.57641306      12.20054269      12.70420841       1.00000000        6 
C      10.77905275       9.70744636      15.66024360       1.00000000        6 
18
Lattice="30.6217 0.0 0.0 0.0 30.6217 0.0 0.0 0.0 30.6217" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      26.86677528       7.62076124       7.16575340       1.00000000        6 
C      29.01445883      12.74389413       5.20663827       1.00000000        6 
C      27.19611166       7.18963832       4.47095193       1.00000000        6 
C      29.07162955       8.01492376       8.65923495       1.00000000        6 
C       1.06545755       6.42424893       5.14230208       1.00000000        6 
C       1.83586278      10.50899998       3.76827578       1.00000000        6 
C      25.85543240      10.10736576       6.63471187       1.00000000        6 
C      27.69527600      11.91352549       7.39495682       1.00000000        6 
C      29.47635655      10.65087032       8.95696974       1.00000000        6 
C       1.31512546      11.19063902       8.02900974       1.00000000        6 
C       2.93280557       8.42280480       5.06041966       1.00000000        6 
C      26.18253339       9.67921315       3.95840592       1.00000000        6 
C      29.70332460       7.18804599       3.49056758       1.00000000        6 
C      28.21602863      11.23188645       3.13422286       1.00000000        6 
C       0.73610586       6.85537184       7.83707292       1.00000000        6 
C       1.01636178      12.29675607       5.59881038       1.00000000        6 
C       2.60571682       8.85095741       7.73669499       1.00000000        6 
C      30.26544714       9.61796975       2.50056802       1.00000000        6 
18
Lattice="30.6217 0.0 0.0 0.0 30.6217 0.0 0.0 0.0 30.6217" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      17.18045789      24.85385783       7.92685575       1.00000000        6 
C      20.27582182      25.08140768       3.22636356       1.00000000        6 
C      21.38656274      21.80035377       4.99011223       1.00000000        6 
C      19.30640004      21.34323303       6.69032088       1.00000000        6 
C      18.20622360      26.30067191       4.48136331       1.00000000        6 
C      17.51438753      21.94559250       4.68169047       1.00000000        6 
C      16.06898205      27.89985957       3.79405925       1.00000000        6 
C      19.36957260      23.30678830       8.55652977       1.00000000        6 
C      16.49370503      24.35597961       5.38390729       1.00000000        6 
C      21.07241472      25.24051804       7.65909960       1.00000000        6 
C      22.02934285      24.43535106       5.25526553       1.00000000        6 
C      18.96156907      26.87645174       6.98820878       1.00000000        6 
C      19.58906895      22.44653289       2.97175943       1.00000000        6 
C      15.57287989      26.82528288       8.98168145       1.00000000        6 
C      13.81687850      27.42304908       6.95391247       1.00000000        6 
C      17.29538113      28.78130521       8.07390115       1.00000000        6 
C      15.54602466      29.38663497       6.04261068       1.00000000        6 
C      14.32452504      25.91891118       4.71338393       1.00000000        6 
19
Lattice="31.1786 0.0 0.0 0.0 31.1786 0.0 0.0 0.0 31.1786" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       3.08289632      16.62789034      17.85140097       1.00000000        6 
C       3.90125350      16.54801077      21.46288056       1.00000000        6 
C       1.04256250      15.74322875      23.15659565       1.00000000        6 
C       4.84727458      20.05092648      20.68728171       1.00000000        6 
C       0.43935012      15.56441948      20.51053022       1.00000000        6 
C       4.30984906      17.70483037      24.04749297       1.00000000        6 
C       6.68353823      13.92408215      21.09035865       1.00000000        6 
C       8.02973664      17.33642403      22.36681053       1.00000000        6 
C       3.99082962      13.75708957      21.22389659       1.00000000        6 
C       4.97261256      15.23994379      24.92308159       1.00000000        6 
C       1.66458492      18.37370487      23.76760267       1.00000000        6 
C       1.15453732      17.90683652      19.34903384       1.00000000        6 
C       7.40847186      16.29842608      19.91305471       1.00000000        6 
C       2.94283581      13.81336694      23.78019883       1.00000000        6 
C       6.20232772      19.26759534      22.92593637       1.00000000        6 
C       2.19052737      19.50311848      21.29224008       1.00000000        6 
C       7.29981444      14.94568016      23.55225208       1.00000000        6 
C       2.34379825      14.20715266      19.05171471       1.00000000        6 
C       5.19700494      17.70763644      19.26500751       1.00000000        6 
19
Lattice="31.1786 0.0 0.0 0.0 31.1786 0.0 0.0 0.0 31.1786" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       6.73760192      22.13100678      28.34010026       1.00000000        6 
C       4.47266371      25.16187849      27.29923387       1.00000000        6 
C       5.09065474      18.76471570      28.36229942       1.00000000        6 
C       9.92969817      22.09820689      26.26585036       1.00000000        6 
C       9.43988236      23.27990701      30.70234688       1.00000000        6 
C      10.31216606      21.40002450      28.89850898       1.00000000        6 
C       5.00740787      23.96034878      -0.06278902       1.00000000        6 
C       7.13961879      22.43281563       0.78546376       1.00000000        6 
C       3.73401149      20.64522178      26.87152584       1.00000000        6 
C       8.71647649      24.51707386      26.13019227       1.00000000        6 
C       8.97800258      19.08894196      29.40129509       1.00000000        6 
C       5.37466060      21.59158582      24.86820725       1.00000000        6 
C       8.07497679      24.56677255      28.75649046       1.00000000        6 
C       7.61927038      20.70508469      26.08523273       1.00000000        6 
C       3.99114141      22.83028042      28.61553201       1.00000000        6 
C       6.67826905      20.15478240      30.38925138       1.00000000        6 
C       5.93107390      26.00257826      29.48622559       1.00000000        6 
C       6.09859652      24.19789853      25.34957366       1.00000000        6 
C       7.55030331      18.26221020      27.18886163       1.00000000        6 
20
Lattice="31.7163 0.0 0.0 0.0 31.7163 0.0 0.0 0.0 31.7163" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      20.07495895      18.03525198      29.25552743       1.00000000        6 
C      25.61329097      13.02369599      30.19061910       1.00000000        6 
C      23.52750022      11.91898554      28.90861454       1.00000000        6 
C      22.11520510      13.40273749       1.02529917       1.00000000        6 
C      22.60668088      17.72072143       1.05764980       1.00000000        6 
C      23.57304483      17.65621048      26.70455371       1.00000000        6 
C      21.36555863      12.15324213      30.48520010       1.00000000        6 
C      24.32272301      18.90567412      28.96094644       1.00000000        6 
C      26.10476676      17.34171165      30.22296973       1.00000000        6 
C      20.64404452      14.44956568      26.86662400       1.00000000        6 
C      22.16078142      19.13993071      30.53753199       1.00000000        6 
C      19.23178111      15.93331763      30.69960229       1.00000000        6 
C      25.04420540      16.60935057       0.86323840       1.00000000        6 
C      24.74045840      13.94067765       0.84324444       1.00000000        6 
C      26.45650052      15.12563034      28.74654425       1.00000000        6 
C      20.94779153      17.11827032      26.88660527       1.00000000        6 
C      19.58348317      13.71723632      29.22317681       1.00000000        6 
C      20.79644134      15.73892843       1.15780987       1.00000000        6 
C      23.08156904      13.33819482      26.67220308       1.00000000        6 
C      24.89180858      15.32001954      26.57204301       1.00000000        6 
20
Lattice="31.7163 0.0 0.0 0.0 31.7163 0.0 0.0 0.0 31.7163" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      18.00528008      13.41380648      21.78487983       1.00000000        6 
C      15.70778302      14.09367708      25.74465989       1.00000000        6 
C      14.74798435      14.86422459      20.04822211       1.00000000        6 
C      14.61829640      19.85402320      23.25768966       1.00000000        6 
C      12.16640440      18.69491930      22.99733055       1.00000000        6 
C      17.32832737      15.03327247      23.81475475       1.00000000        6 
C      18.38958648      17.50127635      23.92322449       1.00000000        6 
C      15.70553116      18.51505617      21.20240998       1.00000000        6 
C      16.13103705      18.52333412      25.11756520       1.00000000        6 
C      11.74054964      17.59369765      20.52939010       1.00000000        6 
C      15.47048167      12.50691059      21.48538281       1.00000000        6 
C      17.71276064      15.38662377      19.94238482       1.00000000        6 
C      15.11338784      16.12174417      22.54965497       1.00000000        6 
C      14.10718823      17.65237281      19.18515815       1.00000000        6 
C      11.97915136      14.86695219      20.74981838       1.00000000        6 
C      11.91416466      14.13421051      23.35404377       1.00000000        6 
C      14.63907058      16.53894038      26.31260367       1.00000000        6 
C      12.94110674      16.44575789      24.21425326       1.00000000        6 
C      18.29040961      17.77362422      21.20018984       1.00000000        6 
C      14.18416369      12.76419322      23.87523773       1.00000000        6 
20
Lattice="31.7163 0.0 0.0 0.0 31.7163 0.0 0.0 0.0 31.7163" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      18.65102395       2.54872504      27.29086123       1.00000000        6 
C      15.65614889       7.99850198      25.76131094       1.00000000        6 
C      15.50080245       2.99065045      29.59885638       1.00000000        6 
C      18.14476836       5.03467718      26.44603415       1.00000000        6 
C      19.43105463       3.38146504      29.77960757       1.00000000        6 
C      17.69928122       8.85281224      27.37113518       1.00000000        6 
C      12.71455721       4.84482341      27.53517189       1.00000000        6 
C      14.34439443       8.30700643      30.16803710       1.00000000        6 
C      16.15920112       5.53785628      24.72161891       1.00000000        6 
C      16.03338256       1.81713149      27.25188190       1.00000000        6 
C      14.54274817       3.65755543      25.88021535       1.00000000        6 
C      14.23747879       7.02979103      27.81046937       1.00000000        6 
C      17.10142896       8.38854904      30.04079130       1.00000000        6 
C      16.88296709       5.78730498       0.18278928       1.00000000        6 
C      14.13389335       6.06507633      -0.07295383       1.00000000        6 
C      13.09857817       4.04998121      30.10606345       1.00000000        6 
C      19.68782979       7.03841786      27.34309797       1.00000000        6 
C      16.38644841       5.42656378      28.57318295       1.00000000        6 
C      17.38494097       3.10069650      31.50640153       1.00000000        6 
C      19.39331223       6.15137639      29.94126555       1.00000000        6 
20
Lattice="31.7163 0.0 0.0 0.0 31.7163 0.0 0.0 0.0 31.7163" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      16.15089145       0.48176743      26.83728642       1.00000000        6 
C      21.27354964       1.66666936      22.98378769       1.00000000        6 
C      14.76717271       4.20631085      25.14883748       1.00000000        6 
C      18.64604449      31.68134864      25.93092972       1.00000000        6 
C      16.60792333       2.51165820      28.55050580       1.00000000        6 
C      21.50003574       2.50887668      25.65382440       1.00000000        6 
C      17.31145430       3.87798372      21.59448688       1.00000000        6 
C      20.18415817       6.20408888      24.16204823       1.00000000        6 
C      19.21554237      31.54861592      23.18360038       1.00000000        6 
C      14.97681746       1.56266844      24.66763777       1.00000000        6 
C      16.97944807       1.49937540      22.85111841       1.00000000        6 
C      19.83343933       4.04319392      22.57401309       1.00000000        6 
C      21.35826388       5.12319737      26.33169688       1.00000000        6 
C      19.48700218       5.07784306      28.27095833       1.00000000        6 
C      17.64621985       6.77250840      24.86932172       1.00000000        6 
C      15.89963492       5.62650334      23.10513425       1.00000000        6 
C      20.56665675       0.88114225      27.60995892       1.00000000        6 
C      18.50202077       2.92527047      25.11058762       1.00000000        6 
C      17.11566958       4.65630172      26.72317117       1.00000000        6 
C      19.24224749       2.54921030      29.28210569       1.00000000        6 
20
Lattice="31.7163 0.0 0.0 0.0 31.7163 0.0 0.0 0.0 31.7163" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      26.28424930      25.42172452       5.22259626       1.00000000        6 
C      25.79581828       0.38581927       6.27671920       1.00000000        6 
C      27.42473573       0.76752495       4.09222732       1.00000000        6 
C      26.18053700      26.41000443       1.18658290       1.00000000        6 
C      25.86882920      31.27157404       2.25177484       1.00000000        6 
C      23.33333303      31.26865614       5.42995743       1.00000000        6 
C      23.26415978      31.50224669       2.73861053       1.00000000        6 
C      27.30912982      29.90891493       6.96290135       1.00000000        6 
C      29.06335837      30.44986814       4.92630258       1.00000000        6 
C      22.65396988      27.29247876       3.63922341       1.00000000        6 
C      24.61061186      28.33258310      31.53891073       1.00000000        6 
C      28.41136639      28.45491287       0.35067761       1.00000000        6 
C      28.76433709      28.41599697       3.08993833       1.00000000        6 
C      28.28830715      25.71364135       3.40683808       1.00000000        6 
C      22.73440242      29.08337136       1.64259669       1.00000000        6 
C      25.94884943      28.71171975       3.24181817       1.00000000        6 
C      24.47569072      25.32784427       3.17251806       1.00000000        6 
C      26.50356751      30.30666905      31.49279523       1.00000000        6 
C      25.72242676      28.01091639       5.88698931       1.00000000        6 
C      23.13491586      28.62380217       5.94772602       1.00000000        6 
21
Lattice="32.2363 0.0 0.0 0.0 32.2363 0.0 0.0 0.0 32.2363" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      14.61210230      23.62082646       5.44174533       1.00000000        6 
C      16.09445632      22.04121553       1.53259429       1.00000000        6 
C      13.20711540      23.50938557      30.47403819       1.00000000        6 
C      11.02072059      25.54965324       0.74570621       1.00000000        6 
C      10.82475612      25.89709608       4.62900373       1.00000000        6 
C      14.36765444      26.89123133       3.32569013       1.00000000        6 
C      12.20018233      26.03322997      30.63396247       1.00000000        6 
C      16.64315038      23.73223511       3.61214189       1.00000000        6 
C      13.02282047      28.69872067       1.88944369       1.00000000        6 
C      15.12150031      24.02387692       0.02901203       1.00000000        6 
C      13.36120492      26.02974845       5.64586558       1.00000000        6 
C       9.85979472      23.18299304       1.18105422       1.00000000        6 
C      12.87066514      22.72842897       3.62258645       1.00000000        6 
C      10.27828636      23.32696035       3.86684089       1.00000000        6 
C      13.34515124      24.79828956       1.93074483       1.00000000        6 
C      16.35524799      26.39359957      32.24016836       1.00000000        6 
C      16.88721141      26.28963750       2.67129001       1.00000000        6 
C      14.01834189      27.73514543      31.76658487       1.00000000        6 
C      11.89432432      21.82874607      32.18784884       1.00000000        6 
C      13.64356267      20.89689135       1.83752713       1.00000000        6 
C      10.61970102      27.55639515       2.46342390       1.00000000        6 
21
Lattice="32.2363 0.0 0.0 0.0 32.2363 0.0 0.0 0.0 32.2363" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      19.87322764      13.77640846       6.42811164       1.00000000        6 
C      24.01107911      13.68453500       6.13169886       1.00000000        6 
C      17.98443835      15.70581549       5.82970920       1.00000000        6 
C      19.44693481      17.97599244       6.04707857       1.00000000        6 
C      23.07522708      17.31830745       5.05574787       1.00000000        6 
C      22.04476152      14.70081660       7.74838154       1.00000000        6 
C      18.99846341      17.51672188       1.60529360       1.00000000        6 
C      21.37257019      15.31730360       4.19233082       1.00000000        6 
C      20.24803910      11.80286994       4.54441568       1.00000000        6 
C      22.84319020      13.80052121       2.44666747       1.00000000        6 
C      24.88387693      15.49231447       2.12584537       1.00000000        6 
C      23.31651579      17.49228676       1.12506944       1.00000000        6 
C      18.67942074      15.41336777       3.20240240       1.00000000        6 
C      25.23393091      15.75420217       4.81194474       1.00000000        6 
C      21.00636582      16.43016515       0.16146937       1.00000000        6 
C      22.97168409      11.87965680       4.33487973       1.00000000        6 
C      19.96245772      19.09159408       3.57274913       1.00000000        6 
C      19.08417973      12.89390751       2.28116309       1.00000000        6 
C      21.76369322      17.39967187       7.39413684       1.00000000        6 
C      22.62894775      19.13382363       3.16218439       1.00000000        6 
C      20.99650152      13.71876995       0.52561610       1.00000000        6 
22
Lattice="32.7401 0.0 0.0 0.0 32.7401 0.0 0.0 0.0 32.7401" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
O     25.43994168      30.76037163       0.91096709       1.00000000        8 
O     20.49811825      31.92041886       5.26667071       1.00000000        8 
O     24.12696545      31.82383556       7.89039684       1.00000000        8 
O     22.84902113       2.22047287       5.95614447       1.00000000        8 
O     23.99364777       0.45540169       4.24026857       1.00000000        8 
O     26.16781959       0.87963154       7.46297483       1.00000000        8 
O     20.28501294       1.03741590       3.27171164       1.00000000        8 
O     24.38636526      29.74536305       6.13585488       1.00000000        8 
O     21.72623214       0.29048425       7.42512728       1.00000000        8 
O     22.82142122      30.48054200       1.61567810       1.00000000        8 
O     25.20827274       3.27908472       6.64653496       1.00000000        8 
O     26.95011154      29.19552581       2.48957357       1.00000000        8 
O     26.22734109       0.64194824       0.86196498       1.00000000        8 
O     26.55199192      -0.00745990       4.97597136       1.00000000        8 
O     26.83473542      30.06130502       5.02730784       1.00000000        8 
O     23.62836647       3.99380110       2.57213428       1.00000000        8 
O     23.84202836       1.46958522       1.73420053       1.00000000        8 
O     21.40901331       3.41148568       4.05332260       1.00000000        8 
O     25.93042112       3.74314289       4.05119449       1.00000000        8 
O     27.46560441       1.66962069       3.07847630       1.00000000        8 
O     21.62333001       0.11797666       1.08177219       1.00000000        8 
O     22.73580586      30.82365825       4.29356945       1.00000000        8 
22
Lattice="32.7401 0.0 0.0 0.0 32.7401 0.0 0.0 0.0 32.7401" Properties=species:S:1:pos:R:3:masses:R:1 pbc="T T T"
O       8.98961296       8.48865669       1.31642704       1.00000000 
O       9.47262765       9.18710124       5.57691589       1.00000000 
O       2.32435393       9.57219030       4.85162446       1.00000000 
O       7.02147459       5.74952170       6.94643428       1.00000000 
O       5.53153812       6.03013710       0.66121906       1.00000000 
O       7.79836442      10.89734584       1.73809333       1.00000000 
O       8.42798928       7.53840802       3.75912006       1.00000000 
O       4.54203407       8.17219088       1.93310646       1.00000000 
O       7.83824186       8.29549010       7.56371612       1.00000000 
O       5.70263788      10.00115109       7.76133537       1.00000000 
O       7.82609528       4.99011508       4.43959030       1.00000000 
O       8.41954234      11.40173982       4.35492440       1.00000000 
O       3.38987721       8.68873144       7.21663832       1.00000000 
O       5.89672119       8.30730927       4.25490340       1.00000000 
O       7.85356423       6.80375292      32.30881466       1.00000000 
O       4.67440230       6.65972922       6.03216698       1.00000000 
O       3.85583432      11.56900900       3.75738484       1.00000000 
O       5.06924790      10.77784448       1.43142664       1.00000000 
O       3.34816633       5.23265374       4.21656474       1.00000000 
O       5.96891311      10.83857736       5.23196620       1.00000000 
O       2.24819064       7.48330644       3.10682595       1.00000000 
O       5.61653141       4.47141368       2.88874087       1.00000000 
22
Lattice="32.7401 0.0 0.0 0.0 32.7401 0.0 0.0 0.0 32.7401" Properties=species:S:1:pos:R:3:masses:R:1 pbc="T T T"
O      20.23122095      25.50257349      15.19821634       1.00000000 
O      19.23827920      23.51564231      18.38661098       1.00000000 
O      20.20604382      21.46444230      16.95040101       1.00000000 
O      18.91310453      22.50010988      20.84473769       1.00000000 
O      21.51708838      21.86007367      21.11978727       1.00000000 
O      20.50099938      27.57151863      19.15803322       1.00000000 
O      20.61460752      26.24276167      21.50504002       1.00000000 
O      17.74624736      26.39948853      15.90006586       1.00000000 
O      17.15080316      20.63398966      19.86718378       1.00000000 
O      18.22379446      24.99500372      21.71041867       1.00000000 
O      19.71923127      22.89024091      14.64883746       1.00000000 
O      17.02714381      23.08903880      14.92087495       1.00000000 
O      22.60058925      24.37552829      21.23791355       1.00000000 
O      16.61039507      26.04592819      19.77865455       1.00000000 
O      15.29368647      21.99329314      18.36064808       1.00000000 
O      21.08288917      25.39207566      17.75315552       1.00000000 
O      16.77612546      24.24116292      17.64311605       1.00000000 
O      18.24939722      19.69313741      17.51100974       1.00000000 
O      16.16106994      20.74501134      16.06298060       1.00000000 
O      23.30473058      24.13587076      18.58979604       1.00000000 
O      17.97405298      27.84925290      18.26619289       1.00000000 
O      22.46831925      21.51270121      18.54003109       1.00000000 
23
Lattice="33.2288 0.0 0.0 0.0 33.2288 0.0 0.0 0.0 33.2288" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
O     32.42984673       8.27958687      19.46164296       1.00000000        8 
O     29.66992906      10.28255247      16.57429284       1.00000000        8 
O      1.93197892       8.63918894      19.50789745       1.00000000        8 
O      3.84586808      12.20932444      17.64206710       1.00000000        8 
O     31.09733862      13.88355753      18.09334743       1.00000000        8 
O      3.94937580      12.54181181      20.32373094       1.00000000        8 
O     32.29134909      15.73144433      19.73903698       1.00000000        8 
O      2.79758916       9.72899389      17.17938929       1.00000000        8 
O      0.44267407      14.13370394      14.68928947       1.00000000        8 
O      0.07557392      12.36393805      18.11517875       1.00000000        8 
O      1.88409954      14.01378120      17.02524088       1.00000000        8 
O      2.69074528      14.87570304      20.99874079       1.00000000        8 
O     31.02921958      14.41109796      15.45996503       1.00000000        8 
O     30.43053629      11.90946775      14.50995364       1.00000000        8 
O     33.10701645      11.53341742      14.00743450       1.00000000        8 
O      0.13267695      14.30988303      21.83162066       1.00000000        8 
O      1.62987596      16.04990915      18.75935227       1.00000000        8 
O     31.16728525      10.34688343      20.68270167       1.00000000        8 
O      2.41033076      10.56267126      21.31876736       1.00000000        8 
O     29.63626829      11.70590812      18.87332705       1.00000000        8 
O      0.31974845      10.32584960      16.35491630       1.00000000        8 
O     31.68030469       8.51291950      16.89421972       1.00000000        8 
O      0.15187921      11.85324462      20.76946207       1.00000000        8 
24
Lattice="33.7036 0.0 0.0 0.0 33.7036 0.0 0.0 0.0 33.7036" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
O     27.82650105       7.00431586      31.86200159       1.00000000        8 
O     29.73618073      10.59358074       3.05217442       1.00000000        8 
O     29.31256018      10.54130645       0.38607137       1.00000000        8 
O     31.41846222       3.93958010       3.92404274       1.00000000        8 
O     31.99711932       5.49223755      31.29126483       1.00000000        8 
O      0.94901249       4.98125727       1.01376721       1.00000000        8 
O     32.04363029       4.70684255       1.43370059       1.00000000        8 
O      1.28581593       6.52825251       3.19371943       1.00000000        8 
O      0.58439009       6.44173536      32.48288931       1.00000000        8 
O     27.33857403       8.66772333       0.30961205       1.00000000        8 
O     28.18911808       4.83292772      33.43801563       1.00000000        8 
O     31.83682500       8.92875771       3.42809427       1.00000000        8 
O     31.67235144       7.73821175       5.79863697       1.00000000        8 
O     31.20339954       8.85059906      33.14529987       1.00000000        8 
O     30.31975856       7.57137893      30.98971872       1.00000000        8 
O     28.47239684       6.51311959       1.96574225       1.00000000        8 
O     27.89448121       8.73627645       3.80803495       1.00000000        8 
O     28.90464551       4.92119745       4.23755363       1.00000000        8 
O     30.68227448       3.84878260      32.99444255       1.00000000        8 
O     33.18631715       5.63891561       5.07188625       1.00000000        8 
O      0.19185437       8.96974129      33.38038248       1.00000000        8 
O     29.03501103       7.15338688       5.76412449       1.00000000        8 
O      0.61916547       9.02245372       2.36607698       1.00000000        8 
O     31.01256976       7.18537159       1.54895005       1.00000000        8 
24
Lattice="33.7036 0.0 0.0 0.0 33.7036 0.0 0.0 0.0 33.7036" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
O     20.82693740       6.03826957      23.53818980       1.00000000        8 
O     16.04840729       5.10848836      18.74644787       1.00000000        8 
O     15.73226752       6.92214648      20.74038655       1.00000000        8 
O     22.56041466       6.51342292      18.77876963       1.00000000        8 
O     18.34874539       5.74016123      17.46780070       1.00000000        8 
O     16.55753387       5.86934713      23.09960485       1.00000000        8 
O     16.54320984       2.76611512      19.96196821       1.00000000        8 
O     17.61019841       8.71797540      20.10497258       1.00000000        8 
O     21.64954116       3.48933371      24.20191479       1.00000000        8 
O     21.25008610       9.11685750      21.04226970       1.00000000        8 
O     19.68698054       3.43136352      17.09092704       1.00000000        8 
O     18.86983675       9.51526776      22.36048490       1.00000000        8 
O     21.70832024       3.14491999      20.36681585       1.00000000        8 
O     18.60145499       1.55006901      18.75187415       1.00000000        8 
O     22.75141296       7.72570771      22.77143290       1.00000000        8 
O     19.55506465       1.89281440      23.29562499       1.00000000        8 
O     17.80807224       3.68592681      22.12253749       1.00000000        8 
O     19.95212676       5.04151930      21.18837480       1.00000000        8 
O     20.29179164       0.92404149      20.81150115       1.00000000        8 
O     18.55255106       7.42459975      24.06538151       1.00000000        8 
O     24.02079165       6.09492532      21.09636398       1.00000000        8 
O     23.57758931       3.60810519      22.20743685       1.00000000        8 
O     19.83126565       7.05379274      19.40467918       1.00000000        8 
O     22.23018678       3.95167969      17.86267207       1.00000000        8 
25
Lattice="34.1653 0.0 0.0 0.0 34.1653 0.0 0.0 0.0 34.1653" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
O     28.43236266      18.93967072       9.84794273       1.00000000        8 
O     28.60718650      14.76897588      13.17964029       1.00000000        8 
O     26.50974457      17.10970892       9.82337788       1.00000000        8 
O     30.07639690      17.01982001      13.26925588       1.00000000        8 
O     29.69948531      14.79606897       9.42333638       1.00000000        8 
O     27.45892493      13.60554492      15.31531320       1.00000000        8 
O     27.40549040      20.27204909      11.94487219       1.00000000        8 
O     28.28678432      18.88890108      14.09885769       1.00000000        8 
O     24.04615312      18.18677000       9.88463627       1.00000000        8 
O     27.18351845      14.91007857       8.43025361       1.00000000        8 
O     26.15521125      11.73325232      13.85778733       1.00000000        8 
O     22.55309534      16.23917707      11.05172291       1.00000000        8 
O     25.69046067      12.96248565       9.59737442       1.00000000        8 
O     24.34861852      14.29066168      11.51268114       1.00000000        8 
O     30.34647359      17.20041779      10.58154005       1.00000000        8 
O     23.83692482      18.95535259      14.06308662       1.00000000        8 
O     23.68078940      12.74160698      13.56215499       1.00000000        8 
O     26.01680762      17.47435516      14.38044809       1.00000000        8 
O     26.37058930      15.91091687      12.22403685       1.00000000        8 
O     25.66931235      15.47462599      16.14488085       1.00000000        8 
O     24.67578543      20.04293658      11.75214573       1.00000000        8 
O     29.53224616      13.00707136      11.42296306       1.00000000        8 
O     27.24583596      11.59546366      11.34134216       1.00000000        8 
O     22.22210191      16.84229711      13.67015151       1.00000000        8 
O     23.21422806      14.80488361      15.22111946       1.00000000        8 
7
Lattice="22.3514 0.0 0.0 0.0 22.3514 0.0 0.0 0.0 22.3514" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      20.57611770       6.20707319      16.99383647       1.00000000        6 
C      18.39998540       7.64100490      14.09050137       1.00000000        6 
C      21.89610198       9.19315317      14.85793669       1.00000000        6 
C      19.41583418      10.17279268      14.25894152       1.00000000        6 
C      20.98376254       6.63219681      14.27695675       1.00000000        6 
C      21.85810460       8.56351423      17.51735097       1.00000000        6 
C      17.93440574       6.82155787      16.65606212       1.00000000        6 
7
Lattice="22.3514 0.0 0.0 0.0 22.3514 0.0 0.0 0.0 22.3514" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       4.67720926       5.86444858      12.12974716       1.00000000        6 
C       6.35776632       7.88512689      10.65828744       1.00000000        6 
C       7.11744571       8.47106884      14.59950980       1.00000000        6 
C       8.32866807       7.15553249      12.43374855       1.00000000        6 
C       6.94466939       4.87555558      13.31381257       1.00000000        6 
C       6.79589847       6.02531160      15.80040582       1.00000000        6 
C       4.81113885       8.65204813      13.12657489       1.00000000        6 
7
Lattice="22.3514 0.0 0.0 0.0 22.3514 0.0 0.0 0.0 22.3514" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C       1.45646863       0.53551049      20.59504934       1.00000000        6 
C       3.33518650      21.63906088      22.16717976       1.00000000        6 
C       3.57394416      19.86693013      18.54296731       1.00000000        6 
C       3.65311282       1.57983942      19.08346886       1.00000000        6 
C       2.42999951       0.57937064      16.84128817       1.00000000        6 
C       5.00939577      21.67236447      19.98561607       1.00000000        6 
C       1.13761921      21.11782623      18.47694127       1.00000000        6 
7
Lattice="22.3514 0.0 0.0 0.0 22.3514 0.0 0.0 0.0 22.3514" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      22.15153378      21.57906972      21.95101937       1.00000000        6 
C       3.89461969      19.95962139       0.08424533       1.00000000        6 
C       3.52490519      20.88776327      19.65528473       1.00000000        6 
C       2.35715629      22.42337151      21.89286103       1.00000000        6 
C       1.97863980      18.08809396      22.72019810       1.00000000        6 
C       1.45478110      19.40320564      18.78051798       1.00000000        6 
C      22.43052396      19.04893595      21.06932370       1.00000000        6 
8
Lattice="23.3687 0.0 0.0 0.0 23.3687 0.0 0.0 0.0 23.3687" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      18.05442393      22.01707776      22.43752741       1.00000000        6 
C      19.27649010      22.69269025       1.45993850       1.00000000        6 
C      21.26827451      20.83324279       0.96736837       1.00000000        6 
C      16.56892241      20.07974242       0.37543920       1.00000000        6 
C      17.79096521      20.75535491       2.76655029       1.00000000        6 
C      20.04620834      20.15763030      21.94493858       1.00000000        6 
C      19.78274962      18.89590745       2.27399184       1.00000000        6 
C      18.56068345      18.22029497      23.25157608       1.00000000        6 
9
Lattice="24.3045 0.0 0.0 0.0 24.3045 0.0 0.0 0.0 24.3045" Properties=species:S:1:pos:R:3:masses:R:1:Z:I:1 pbc="T T T"
C      13.44274604      23.82183693      16.65774530       1.00000000        6 
C      15.20205157       2.92103633      17.43332620       1.00000000        6 
C      16.42673102       0.76420153      14.46161498       1.00000000        6 
C      16.23227072       3.45670751      14.94819107       1.00000000        6 
C      12.61223697       2.15790177      16.91991794       1.00000000        6 
C      12.40742295       2.32965438      14.18993928       1.00000000        6 
C      14.12881346       4.26364122      13.49568124       1.00000000        6 
C      16.03175859       0.28023575      17.17100773       1.00000000        6 
C      13.83689211      24.30547218      13.94820672       1.00000000        6 
