288
Unit cell from CRYSTAL D:\Documenti\Chimica\Dottorato\Superfici\MgCl2b\b_MgCl2\111_MgCl2_b\111.out for geometry N: 28
Cl 8.8437582408   4.0342729876   5.3824043819
Mg 7.8769794836   3.3478147331   3.3947704192
Cl 6.4844604969   3.2528642985   7.8383737304
Cl 9.6803001896   2.2733960383   2.2434295593
Mg 8.1068647627   1.9477315407   6.5088697791
Cl 6.8667203558   1.4069621826   4.3586391746
Cl 9.9365108009   0.4043362337   5.3514914099
Mg 8.7242176320   0.0260912114   3.2060043438
Cl 7.3006797119   -0.3870804272   7.4356355470
Cl 10.4800187238   -1.3030373510   2.0585817636
Mg 9.0564808037   -1.7162089896   6.2882129669
Cl 7.8441876348   -2.0944540119   4.1427259007
Cl 10.9139780799   -3.0970799608   5.1355781361
Mg 9.6738336731   -3.6378493188   2.9853475315
Cl 8.1003982461   -3.9635138165   7.2507877513
Cl 11.2962379389   -4.9429820767   1.6558435803
Mg 9.9037189521   -5.0379325112   6.0994468914
Cl 8.9369401949   -5.7243907658   4.1118129288
Cl 8.9780100401   4.4381238534   -0.9853729741
Mg 8.0112312830   3.7516655989   -2.9730069368
Cl 6.6187122962   3.6567151643   1.4705963744
Cl 9.8145519890   2.6772469041   -4.1243477967
Mg 8.2411165620   2.3515824065   0.1410924231
Cl 7.0009721551   1.8108130484   -2.0091381814
Cl 10.0707626003   0.8081870995   -1.0162859461
Mg 8.8584694314   0.4299420772   -3.1617730122
Cl 7.4349315113   0.0167704386   1.0678581911
Cl 10.6142705232   -0.8991864852   -4.3091955924
Mg 9.1907326030   -1.3123581238   -0.0795643891
Cl 7.9784394342   -1.6906031461   -2.2250514553
Cl 11.0482298793   -2.6932290950   -1.2321992199
Mg 9.8080854724   -3.2339984530   -3.3824298245
Cl 8.2346500454   -3.5596629507   0.8830103954
Cl 11.4304897382   -4.5391312109   -4.7119337757
Mg 10.0379707515   -4.6340816454   -0.2683304646
Cl 9.0711919943   -5.3205399000   -2.2559644272
Cl 9.1122618395   4.8419747192   -7.3531503301
Mg 8.1454830823   4.1555164647   -9.3407842927
Cl 6.7529640956   4.0605660301   -4.8971809816
Cl 9.9488037884   3.0810977699   -10.4921251527
Mg 8.3753683614   2.7554332722   -6.2266849328
Cl 7.1352239545   2.2146639142   -8.3769155374
Cl 10.2050143996   1.2120379653   -7.3840633021
Mg 8.9927212307   0.8337929430   -9.5295503682
Cl 7.5691833106   0.4206213044   -5.2999191649
Cl 10.7485223225   -0.4953356194   -10.6769729484
Mg 9.3249844024   -0.9085072580   -6.4473417451
Cl 8.1126912335   -1.2867522803   -8.5928288112
Cl 11.1824816786   -2.2893782292   -7.5999765759
Mg 9.9423372718   -2.8301475872   -9.7502071805
Cl 8.3689018448   -3.1558120849   -5.4847669606
Cl 11.5647415376   -4.1352803451   -11.0797111317
Mg 10.1722225508   -4.2302307797   -6.6361078206
Cl 9.2054437936   -4.9166890342   -8.6237417832
Cl 9.2465136388   5.2458255850   -13.7209276861
Mg 8.2797348817   4.5593673304   -15.7085616487
Cl 6.8872158949   4.4644168959   -11.2649583376
Cl 10.0830555877   3.4849486357   -16.8599025087
Mg 8.5096201607   3.1592841380   -12.5944622888
Cl 7.2694757538   2.6185147800   -14.7446928934
Cl 10.3392661990   1.6158888311   -13.7518406581
Mg 9.1269730301   1.2376438088   -15.8973277242
Cl 7.7034351100   0.8244721702   -11.6676965209
Cl 10.8827741219   -0.0914847536   -17.0447503044
Mg 9.4592362018   -0.5046563922   -12.8151191011
Cl 8.2469430329   -0.8829014145   -14.9606061672
Cl 11.3167334780   -1.8855273634   -13.9677539319
Mg 10.0765890711   -2.4262967214   -16.1179845365
Cl 8.5031536441   -2.7519612191   -11.8525443166
Cl 11.6989933369   -3.7314294793   -17.4474884877
Mg 10.3064743502   -3.8263799139   -13.0038851766
Cl 9.3396955930   -4.5128381684   -14.9915191392
Cl 2.7826069629   4.1937947146   8.5854426343
Mg 1.8158282057   3.5073364600   6.5978086717
Cl 0.4233092189   3.4123860254   11.0414119828
Cl 3.6191489117   2.4329177653   5.4464678117
Mg 2.0457134847   2.1072532676   9.7119080316
Cl 0.8055690779   1.5664839095   7.5616774270
Cl 3.8753595230   0.5638579606   8.5545296623
Mg 2.6630663541   0.1856129384   6.4090425962
Cl 1.2395284340   -0.2275587002   10.6386737995
Cl 4.4188674459   -1.1435156241   5.2616200160
Mg 2.9953295258   -1.5566872627   9.4912512193
Cl 1.7830363569   -1.9349322849   7.3457641532
Cl 4.8528268020   -2.9375582338   8.3386163885
Mg 3.6126823951   -3.4783275919   6.1883857839
Cl 2.0392469682   -3.8039920896   10.4538260038
Cl 5.2350866609   -4.7834603497   4.8588818327
Mg 3.8425676742   -4.8784107843   9.3024851438
Cl 2.8757889170   -5.5648690389   7.3148511812
Cl 2.9168587622   4.5976455804   2.2176652783
Mg 1.9500800050   3.9111873258   0.2300313157
Cl 0.5575610183   3.8162368912   4.6736346268
Cl 3.7534007111   2.8367686310   -0.9213095442
Mg 2.1799652841   2.5111041334   3.3441306756
Cl 0.9398208772   1.9703347753   1.1939000710
Cl 4.0096113223   0.9677088264   2.1867523064
Mg 2.7973181535   0.5894638042   0.0412652402
Cl 1.3737802333   0.1762921656   4.2708964435
Cl 4.5531192453   -0.7396647583   -1.1061573399
Mg 3.1295813251   -1.1528363969   3.1234738633
Cl 1.9172881562   -1.5310814191   0.9779867972
Cl 4.9870786014   -2.5337073680   1.9708390325
Mg 3.7469341945   -3.0744767261   -0.1793915720
Cl 2.1734987675   -3.4001412238   4.0860486478
Cl 5.3693384603   -4.3796094839   -1.5088955233
Mg 3.9768194735   -4.4745599185   2.9347077879
Cl 3.0100407164   -5.1610181731   0.9470738252
Cl 3.0511105616   5.0014964462   -4.1501120776
Mg 2.0843318044   4.3150381916   -6.1377460403
Cl 0.6918128176   4.2200877570   -1.6941427292
Cl 3.8876525104   3.2406194968   -7.2890869002
Mg 2.3142170834   2.9149549992   -3.0236466804
Cl 1.0740726766   2.3741856411   -5.1738772850
Cl 4.1438631217   1.3715596922   -4.1810250496
Mg 2.9315699528   0.9933146699   -6.3265121158
Cl 1.5080320327   0.5801430314   -2.0968809125
Cl 4.6873710446   -0.3358138925   -7.4739346959
Mg 3.2638331245   -0.7489855311   -3.2443034927
Cl 2.0515399556   -1.1272305533   -5.3897905588
Cl 5.1213304007   -2.1298565023   -4.3969383235
Mg 3.8811859938   -2.6706258603   -6.5471689280
Cl 2.3077505669   -2.9962903580   -2.2817287082
Cl 5.5035902596   -3.9757586181   -7.8766728793
Mg 4.1110712729   -4.0707090527   -3.4330695681
Cl 3.1442925157   -4.7571673073   -5.4207035308
Cl 3.1853623609   5.4053473119   -10.5178894336
Mg 2.2185836037   4.7188890574   -12.5055233963
Cl 0.8260646170   4.6239386228   -8.0619200852
Cl 4.0219043098   3.6444703626   -13.6568642562
Mg 2.4484688828   3.3188058650   -9.3914240364
Cl 1.2083244759   2.7780365069   -11.5416546409
Cl 4.2781149210   1.7754105580   -10.5488024056
Mg 3.0658217522   1.3971655357   -12.6942894718
Cl 1.6422838320   0.9839938971   -8.4646582685
Cl 4.8216228440   0.0680369733   -13.8417120519
Mg 3.3980849238   -0.3451346653   -9.6120808487
Cl 2.1857917549   -0.7233796876   -11.7575679148
Cl 5.2555822001   -1.7260056365   -10.7647156795
Mg 4.0154377932   -2.2667749945   -12.9149462840
Cl 2.4420023662   -2.5924394922   -8.6495060642
Cl 5.6378420590   -3.5719077524   -14.2444502352
Mg 4.2453230722   -3.6668581869   -9.8008469241
Cl 3.2785443151   -4.3533164415   -11.7884808868
Cl -3.2785443151   4.3533164415   11.7884808868
Mg -4.2453230722   3.6668581869   9.8008469241
Cl -5.6378420590   3.5719077524   14.2444502352
Cl -2.4420023662   2.5924394922   8.6495060642
Mg -4.0154377932   2.2667749945   12.9149462840
Cl -5.2555822001   1.7260056365   10.7647156795
Cl -2.1857917549   0.7233796876   11.7575679148
Mg -3.3980849238   0.3451346653   9.6120808487
Cl -4.8216228440   -0.0680369733   13.8417120519
Cl -1.6422838320   -0.9839938971   8.4646582685
Mg -3.0658217522   -1.3971655357   12.6942894718
Cl -4.2781149210   -1.7754105580   10.5488024056
Cl -1.2083244759   -2.7780365069   11.5416546409
Mg -2.4484688828   -3.3188058650   9.3914240364
Cl -4.0219043098   -3.6444703626   13.6568642562
Cl -0.8260646170   -4.6239386228   8.0619200852
Mg -2.2185836037   -4.7188890574   12.5055233963
Cl -3.1853623609   -5.4053473119   10.5178894336
Cl -3.1442925157   4.7571673073   5.4207035308
Mg -4.1110712729   4.0707090527   3.4330695681
Cl -5.5035902596   3.9757586181   7.8766728793
Cl -2.3077505669   2.9962903580   2.2817287082
Mg -3.8811859938   2.6706258603   6.5471689280
Cl -5.1213304007   2.1298565023   4.3969383235
Cl -2.0515399556   1.1272305533   5.3897905588
Mg -3.2638331245   0.7489855311   3.2443034927
Cl -4.6873710446   0.3358138925   7.4739346959
Cl -1.5080320327   -0.5801430314   2.0968809125
Mg -2.9315699528   -0.9933146699   6.3265121158
Cl -4.1438631217   -1.3715596922   4.1810250496
Cl -1.0740726766   -2.3741856411   5.1738772850
Mg -2.3142170834   -2.9149549992   3.0236466804
Cl -3.8876525104   -3.2406194968   7.2890869002
Cl -0.6918128176   -4.2200877570   1.6941427292
Mg -2.0843318044   -4.3150381916   6.1377460403
Cl -3.0511105616   -5.0014964462   4.1501120776
Cl -3.0100407164   5.1610181731   -0.9470738252
Mg -3.9768194735   4.4745599185   -2.9347077879
Cl -5.3693384603   4.3796094839   1.5088955233
Cl -2.1734987675   3.4001412238   -4.0860486478
Mg -3.7469341945   3.0744767261   0.1793915720
Cl -4.9870786014   2.5337073680   -1.9708390325
Cl -1.9172881562   1.5310814191   -0.9779867972
Mg -3.1295813251   1.1528363969   -3.1234738633
Cl -4.5531192453   0.7396647583   1.1061573399
Cl -1.3737802333   -0.1762921656   -4.2708964435
Mg -2.7973181535   -0.5894638042   -0.0412652402
Cl -4.0096113223   -0.9677088264   -2.1867523064
Cl -0.9398208772   -1.9703347753   -1.1939000710
Mg -2.1799652841   -2.5111041334   -3.3441306756
Cl -3.7534007111   -2.8367686310   0.9213095442
Cl -0.5575610183   -3.8162368912   -4.6736346268
Mg -1.9500800050   -3.9111873258   -0.2300313157
Cl -2.9168587622   -4.5976455804   -2.2176652783
Cl -2.8757889170   5.5648690389   -7.3148511812
Mg -3.8425676742   4.8784107843   -9.3024851438
Cl -5.2350866609   4.7834603497   -4.8588818327
Cl -2.0392469682   3.8039920896   -10.4538260038
Mg -3.6126823951   3.4783275919   -6.1883857839
Cl -4.8528268020   2.9375582338   -8.3386163885
Cl -1.7830363569   1.9349322849   -7.3457641532
Mg -2.9953295258   1.5566872627   -9.4912512193
Cl -4.4188674459   1.1435156241   -5.2616200160
Cl -1.2395284340   0.2275587002   -10.6386737995
Mg -2.6630663541   -0.1856129384   -6.4090425962
Cl -3.8753595230   -0.5638579606   -8.5545296623
Cl -0.8055690779   -1.5664839095   -7.5616774270
Mg -2.0457134847   -2.1072532676   -9.7119080316
Cl -3.6191489117   -2.4329177653   -5.4464678117
Cl -0.4233092189   -3.4123860254   -11.0414119828
Mg -1.8158282057   -3.5073364600   -6.5978086717
Cl -2.7826069629   -4.1937947146   -8.5854426343
Cl -9.3396955930   4.5128381684   14.9915191392
Mg -10.3064743502   3.8263799139   13.0038851766
Cl -11.6989933369   3.7314294793   17.4474884877
Cl -8.5031536441   2.7519612191   11.8525443166
Mg -10.0765890711   2.4262967214   16.1179845365
Cl -11.3167334780   1.8855273634   13.9677539319
Cl -8.2469430329   0.8829014145   14.9606061672
Mg -9.4592362018   0.5046563922   12.8151191011
Cl -10.8827741219   0.0914847536   17.0447503044
Cl -7.7034351100   -0.8244721702   11.6676965209
Mg -9.1269730301   -1.2376438088   15.8973277242
Cl -10.3392661990   -1.6158888311   13.7518406581
Cl -7.2694757538   -2.6185147800   14.7446928934
Mg -8.5096201607   -3.1592841380   12.5944622888
Cl -10.0830555877   -3.4849486357   16.8599025087
Cl -6.8872158949   -4.4644168959   11.2649583376
Mg -8.2797348817   -4.5593673304   15.7085616487
Cl -9.2465136388   -5.2458255850   13.7209276861
Cl -9.2054437936   4.9166890342   8.6237417832
Mg -10.1722225508   4.2302307797   6.6361078206
Cl -11.5647415376   4.1352803451   11.0797111317
Cl -8.3689018448   3.1558120849   5.4847669606
Mg -9.9423372718   2.8301475872   9.7502071805
Cl -11.1824816786   2.2893782292   7.5999765759
Cl -8.1126912335   1.2867522803   8.5928288112
Mg -9.3249844024   0.9085072580   6.4473417451
Cl -10.7485223225   0.4953356194   10.6769729484
Cl -7.5691833106   -0.4206213044   5.2999191649
Mg -8.9927212307   -0.8337929430   9.5295503682
Cl -10.2050143996   -1.2120379653   7.3840633021
Cl -7.1352239545   -2.2146639142   8.3769155374
Mg -8.3753683614   -2.7554332722   6.2266849328
Cl -9.9488037884   -3.0810977699   10.4921251527
Cl -6.7529640956   -4.0605660301   4.8971809816
Mg -8.1454830823   -4.1555164647   9.3407842927
Cl -9.1122618395   -4.8419747192   7.3531503301
Cl -9.0711919943   5.3205399000   2.2559644272
Mg -10.0379707515   4.6340816454   0.2683304646
Cl -11.4304897382   4.5391312109   4.7119337757
Cl -8.2346500454   3.5596629507   -0.8830103954
Mg -9.8080854724   3.2339984530   3.3824298245
Cl -11.0482298793   2.6932290950   1.2321992199
Cl -7.9784394342   1.6906031461   2.2250514553
Mg -9.1907326030   1.3123581238   0.0795643891
Cl -10.6142705232   0.8991864852   4.3091955924
Cl -7.4349315113   -0.0167704386   -1.0678581911
Mg -8.8584694314   -0.4299420772   3.1617730122
Cl -10.0707626003   -0.8081870995   1.0162859461
Cl -7.0009721551   -1.8108130484   2.0091381814
Mg -8.2411165620   -2.3515824065   -0.1410924231
Cl -9.8145519890   -2.6772469041   4.1243477967
Cl -6.6187122962   -3.6567151643   -1.4705963744
Mg -8.0112312830   -3.7516655989   2.9730069368
Cl -8.9780100401   -4.4381238534   0.9853729741
Cl -8.9369401949   5.7243907658   -4.1118129288
Mg -9.9037189521   5.0379325112   -6.0994468914
Cl -11.2962379389   4.9429820767   -1.6558435803
Cl -8.1003982461   3.9635138165   -7.2507877513
Mg -9.6738336731   3.6378493188   -2.9853475315
Cl -10.9139780799   3.0970799608   -5.1355781361
Cl -7.8441876348   2.0944540119   -4.1427259007
Mg -9.0564808037   1.7162089896   -6.2882129669
Cl -10.4800187238   1.3030373510   -2.0585817636
Cl -7.3006797119   0.3870804272   -7.4356355470
Mg -8.7242176320   -0.0260912114   -3.2060043438
Cl -9.9365108009   -0.4043362337   -5.3514914099
Cl -6.8667203558   -1.4069621826   -4.3586391746
Mg -8.1068647627   -1.9477315407   -6.5088697791
Cl -9.6803001896   -2.2733960383   -2.2434295593
Cl -6.4844604969   -3.2528642985   -7.8383737304
Mg -7.8769794836   -3.3478147331   -3.3947704192
Cl -8.8437582408   -4.0342729876   -5.3824043819
