Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ni__MO_593762436933_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519618335366251
cohesive_energy=4.4503470714016675
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.02072722507803307
Energy: 0.4954087355582022
Energy: 0.49540873555515236
Energy: 0.020727225076508156
Energy: 0.49540873555515236
Energy: 0.49540873555515236
Energy: 0.020727225076508156
Energy: 0.4954087355566773
Energy: 0.4954087355582022
Energy: 0.02072722507803307
Energy: 0.49311112385864403
Energy: 0.025012871901895252
Energy: 0.4929249855345961
Energy: 0.49311112385864403
Energy: 0.025012871901895252
Energy: 0.4929249855345961
Energy: 0.49311112385864403
Energy: 0.025012871901895252
Energy: 0.49292498553307124
Energy: 0.49311112385864403
Energy: 1.4702227616209291
Energy: 0.022052862850026677
Energy: 0.022052862850026677
Energy: 1.4702227616224541
Energy: 0.022052862851551596
Energy: 0.022052862850026677
Energy: 1.4702227616224541
Energy: 0.022052862851551596
Energy: 0.022052862851551596
Energy: 1.4885477064400359
Energy: 0.4931111238601689
Energy: 0.49292498553307124
Energy: 0.025012871900370333
Energy: 0.49311112385864403
Energy: 0.4929249855345961
Energy: 0.025012871901895252
Energy: 0.4931111238601689
Energy: 0.49292498553307124
Energy: 0.025012871900370333
Energy: 0.4931111238601689
Energy: 0.02072722507803307
Energy: 0.4954087355566773
Energy: 0.4954087355566773
Energy: 0.02072722507803307
Energy: 0.4954087355566773
Energy: 0.4954087355566773
Energy: 0.02072722507803307
Energy: 0.4954087355566773
Energy: 0.4954087355582022
Energy: 0.02072722507803307
Energy: 0.4931111238601689
Energy: 0.025012871901895252
Energy: 0.4929249855361211
Energy: 0.4931111238601689
Energy: 0.025012871900370333
Energy: 0.4929249855345961
Energy: 0.4931111238601689
Energy: 0.025012871900370333
Energy: 0.4929249855361211
Energy: 0.4931111238601689
Energy: 1.4702227616209291
Energy: 0.022052862850026677
Energy: 0.022052862851551596
Energy: 1.4702227616209291
Energy: 0.022052862851551596
Energy: 0.022052862851551596
Energy: 1.7188610335169971
Energy: 0.022052862850026677
Energy: 0.022052862851551596
Energy: 1.488547706441561

minimum gb energy = 0.020727225076508156 eV
minimum distance =  2.2415093214616 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.0463054018165727
Energy: 1.3297294408261988
Energy: 1.3299148534943923
Energy: 1.0053441462130785
Energy: 1.3297294408336695
Energy: 1.3299148534906569
Energy: 1.046305401820308
Energy: 1.3297294408261988
Energy: 1.3299148534981275
Energy: 1.0053441462130785
Energy: 1.1344115782467314
Energy: 0.9963637767525564
Energy: 1.2766289217361217
Energy: 1.134411578250467
Energy: 0.9963637767488214
Energy: 1.276628921739789
Energy: 1.1344115782542021
Energy: 0.9963637767525564
Energy: 1.2766289217361217
Energy: 1.1344115782542021
Energy: 0.9911938564649495
Energy: 1.3472290556224957
Energy: 1.3287326246334425
Energy: 0.989542193572577
Energy: 1.347229055615025
Energy: 1.3287326249209908
Energy: 0.9911938564798904
Energy: 1.3472290556112898
Energy: 1.32873262431608
Energy: 0.989542193572577
Energy: 1.3304402915007116
Energy: 1.383858361053204
Energy: 1.0060780735820003
Energy: 1.3304402915007116
Energy: 1.383858361049469
Energy: 1.0060780735707946
Energy: 1.3304402914969764
Energy: 1.3838583610569395
Energy: 1.0060780735670594
Energy: 1.3304402914969764
Energy: 0.9555101850059411
Energy: 1.27585240012165
Energy: 1.2761875513597458
Energy: 0.9555101850096764
Energy: 1.27585240012165
Energy: 1.276187551363481
Energy: 0.9555101850096764
Energy: 1.2758524001253853
Energy: 1.2761875513709517
Energy: 0.9555101850096764
Energy: 1.33944561164015
Energy: 1.0130779361798596
Energy: 1.2467650037879434
Energy: 1.3394456116289444
Energy: 1.0130779361761921
Energy: 1.2467650038028164
Energy: 1.3394456116326794
Energy: 1.0130779361835949
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Energy: 1.3394456116326794
Energy: 1.3442125283147028
Energy: 1.0056177032492857
Energy: 1.3394820180870157
Energy: 1.3442125283184383
Energy: 1.0056177032455504
Energy: 1.3394820180832803
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Energy: 1.0056177032455504
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Energy: 1.2894503105653081
Energy: 1.2892009337009078
Energy: 0.9941515205151701
Energy: 1.2894503105690436
Energy: 1.2892009337046428
Energy: 0.9941522411961774
Energy: 1.2894503105690436
Energy: 1.2892009337009078
Energy: 0.9941515205114348
Energy: 1.2894503105690436
Energy: 1.0059256850303078
Energy: 1.3294082250561665
Energy: 1.3303630820250525
Energy: 1.0059256850377103
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Energy: 1.005925685045181
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Energy: 1.3922747844096242
Energy: 1.0895937374840072
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Energy: 1.338101983573214
Energy: 0.9962755393092709
Energy: 1.135080029652621
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Energy: 1.1490575222272503
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Energy: 1.174549113867995
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Energy: 1.1428539636240562
Energy: 1.3426484651304982
Energy: 1.0055748613007762
Energy: 1.3422471292406277
Energy: 1.342648465126763
Energy: 1.0055748612970408
Energy: 1.3422471292256868
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Energy: 1.0055748612933055
Energy: 1.3422471292219513
Energy: 1.3426484651304982
Energy: 1.3158125816384456
Energy: 1.1768519968084392
Energy: 0.9961582653436925
Energy: 1.3158125816347104
Energy: 1.17685199681591
Energy: 0.9962060944946819
Energy: 1.315812581642181
Energy: 1.17685199681591
Energy: 0.9961582653586336
Energy: 1.3158125816459163
Energy: 1.1518993225586036
Energy: 1.0017761973663504
Energy: 1.394859933409226
Energy: 1.1518993225548686
Energy: 1.001776197373821
Energy: 1.3948599334129612
Energy: 1.1518993225548686
Energy: 1.0017761973775563
Energy: 1.3948599334054907
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Energy: 1.0489607194331008
Energy: 1.3302391042752795
Energy: 1.3295305845115613
Energy: 1.0061109296372754
Energy: 1.3302391042790147
Energy: 1.3295305845115613
Energy: 1.0489607194331008
Energy: 1.3302391042827502
Energy: 1.3295305845003553
Energy: 1.0061109296522168
Energy: 1.2761456160262767
Energy: 0.9943947920415299
Energy: 1.27619256662778
Energy: 1.276145616030012
Energy: 0.9943947920340593
Energy: 1.2761925666203096
Energy: 1.2761456160374827
Energy: 0.9943947920415299
Energy: 1.2761925666240446
Energy: 1.2761456160262767
Energy: 1.3294379899357252
Energy: 1.328135370301423
Energy: 1.005913649647416
Energy: 1.3294379899245874
Energy: 1.328135370290217
Energy: 1.005913649647416
Energy: 1.3294379899245874
Energy: 1.328135370290217
Energy: 1.0059136496511512
Energy: 1.3294379899357252
Energy: 1.3403628246330086
Energy: 1.2066922634358257
Energy: 1.012933578462445
Energy: 1.3403628245546357
Energy: 1.206692263413414
Energy: 1.0129335784661802
Energy: 1.3403628245919883
Energy: 1.2066922634507669
Energy: 1.0129335784549742
Energy: 1.3403628245807828
Energy: 0.9555166589675225
Energy: 1.2762368486502458
Energy: 1.2759967294486774
Energy: 0.9555166589712578
Energy: 1.2762368486390403
Energy: 1.275996729456148
Energy: 0.9555166589675225
Energy: 1.2762368486465105
Energy: 1.2759967294449424
Energy: 0.9555166589712578
Energy: 1.3425269280262466
Energy: 1.0061690824989495
Energy: 1.3728526557981215
Energy: 1.3425269280299819
Energy: 1.0061690825138907
Energy: 1.372852655790719
Energy: 1.342526928018776
Energy: 1.0061690824989495
Energy: 1.3728526557832483
Energy: 1.342526928018776
Energy: 1.0298964892603366
Energy: 1.465274744530684
Energy: 1.300904008856527
Energy: 1.0298964892678073
Energy: 1.4652747445344194
Energy: 1.3009040088639974
Energy: 1.029896489275278
Energy: 1.4652747445418899
Energy: 1.300904008856527
Energy: 1.0298964892603366
Energy: 1.1483873675387817
Energy: 1.290750154947548
Energy: 0.9965093210688837
Energy: 1.1483873675387817
Energy: 1.2907501549587537
Energy: 0.9965070243505108
Energy: 1.148387367531311
Energy: 1.2907501549662244
Energy: 0.996509321072619
Energy: 1.1483873675350464
Energy: 1.0053441462130785
Energy: 1.3297294408224638
Energy: 1.3299148534943923
Energy: 1.0053441462130785
Energy: 1.3297294408336695
Energy: 1.3299148534869216
Energy: 1.0053441462130785
Energy: 1.329729440829934
Energy: 1.3299148534981275
Energy: 1.0053441462130785
Energy: 1.1344115782579374
Energy: 0.9963637767525564
Energy: 1.276628921739789
Energy: 1.134411578250467
Energy: 0.9963637767525564
Energy: 1.2766289217361217
Energy: 1.134411578250467
Energy: 0.9963637767562238
Energy: 1.2766289217361217
Energy: 1.1344115782542021
Energy: 1.0771123756473333
Energy: 1.3472290556224957
Energy: 1.3287326236739527
Energy: 1.076901423338337
Energy: 1.347229055615025
Energy: 1.3287326281878609
Energy: 1.077112375654804
Energy: 1.3472290556112898
Energy: 1.328732622464267
Energy: 1.076901423338337
Energy: 1.3304402914969764
Energy: 1.3838583610569395
Energy: 1.006078073578265
Energy: 1.3304402915081823
Energy: 1.383858361053204
Energy: 1.0060780735633241
Energy: 1.330440291493241
Energy: 1.3838583610569395
Energy: 1.0060780735670594
Energy: 1.3304402914969764

minimum gb energy = 0.9555101850059411 eV
minimum distance =  2.29447386369179 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.4084644250044462
Energy: 1.0648041090255655
Energy: 1.0646914787118604
Energy: 1.3743806690322387
Energy: 1.064804109012807
Energy: 1.0646914787118604
Energy: 1.408464425002624
Energy: 1.0648041090146299
Energy: 1.0646914787118604
Energy: 1.3743806690322387
Energy: 1.2788974863615576
Energy: 1.0986834900308553
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Energy: 1.1057636726880322
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Energy: 1.061697528111144
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Energy: 1.2348077439191563
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minimum gb energy = 1.061606258004039 eV
minimum distance =  2.18297886941972 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.2615768578999358
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Energy: 1.2346681098289445
Energy: 1.2474253643331445
Energy: 1.3032460242016788
Energy: 1.2346681098227759
Energy: 1.2563847499685699
Energy: 1.2425066806163996
Energy: 1.2825948954260031
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Energy: 1.2424360833730674
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Energy: 1.2563847499665137
Energy: 1.2425066806184186
Energy: 1.2825948954239468
Energy: 1.2563847499706262
Energy: 1.3186779873562233
Energy: 1.241929890776818
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Energy: 1.318677987362392
Energy: 1.2419889188399462
Energy: 1.23529998238067
Energy: 1.318677987362392
Energy: 1.2419298907727057
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Energy: 1.3186779873562233
Energy: 1.2054983173007272
Energy: 1.2933742145729799
Energy: 1.2191992273982184
Energy: 1.2054983172945588
Energy: 1.2933742145729799
Energy: 1.2191992273961625
Energy: 1.2054983173007272
Energy: 1.2933742145750358
Energy: 1.21919922739205
Energy: 1.2054983173027836
Energy: 1.2522357549858638
Energy: 1.3567075810728844
Energy: 1.2413195457202746
Energy: 1.2522357549858638
Energy: 1.3476394612792784
Energy: 1.2413195457264432
Energy: 1.252235754979695
Energy: 1.3567075810667157
Energy: 1.2413195457223305
Energy: 1.252235754979695
Energy: 1.3485416346399075
Energy: 1.251053999788289
Energy: 1.2943599340629817
Energy: 1.3485416346399075
Energy: 1.2511413751939302
Energy: 1.2943599340629817
Energy: 1.3485416346419636
Energy: 1.2510539997862702
Energy: 1.2943599340650378
Energy: 1.3485416346399075
Energy: 1.237656003910506
Energy: 1.2177678881641356
Energy: 1.3271859847102407
Energy: 1.2376560039043376
Energy: 1.2177686580707099
Energy: 1.3271859847205216
Energy: 1.2376560039043376
Energy: 1.2177678881600233
Energy: 1.3271859847205216
Energy: 1.2376560039063935

minimum gb energy = 1.1776265471371725 eV
minimum distance =  2.2525040599076 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.1482062338764014
Energy: 1.2801863917517458
Energy: 1.2801487250542358
Energy: 1.148206233878519
Energy: 1.2801863917524516
Energy: 1.28014872505353
Energy: 1.1482062338756955
Energy: 1.2801863917524516
Energy: 1.2801487250556478
Energy: 1.148206233878519
Energy: 1.2426615161991401
Energy: 1.1650975923316214
Energy: 1.286134916030238
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Energy: 1.2254290691208587
Energy: 1.3023514771923181
Energy: 1.120022429227573
Energy: 1.2254290691201526
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Energy: 1.2429112685793653
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Energy: 1.2796552185573833
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Energy: 1.3208074278772468
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Energy: 1.3933996058465874
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Energy: 1.2174996363179749
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Energy: 1.2233871734726027
Energy: 1.2715371836477476
Energy: 1.217499636311622
Energy: 1.22338717347825
Energy: 1.2715371836421006
Energy: 1.2174996363130337
Energy: 1.3193591573478314
Energy: 1.1627628145405802
Energy: 1.2435478459731664
Energy: 1.319359157349243
Energy: 1.1627628145377564
Energy: 1.2435478459717546
Energy: 1.3193591573485373
Energy: 1.1627628145412858
Energy: 1.2435478459724605
Energy: 1.319359157350655
Energy: 1.2255289757016825
Energy: 1.120319736279798
Energy: 1.3026451476509622
Energy: 1.225528975698859
Energy: 1.120319736336976
Energy: 1.3026451436058326
Energy: 1.2255289757002708
Energy: 1.1203197363009751
Energy: 1.3026451433532487
Energy: 1.2255289757016825
Energy: 1.2422942938480146
Energy: 1.2860264000781545
Energy: 1.1651834385307946
Energy: 1.2422942938508383
Energy: 1.2860264000767425
Energy: 1.1651834385336184
Energy: 1.2422942938494266
Energy: 1.2860264000781545
Energy: 1.1651834385307946
Energy: 1.2422942938515444
Energy: 1.1482062338764014
Energy: 1.2801863917517458
Energy: 1.2801487250584713
Energy: 1.1482062338799308
Energy: 1.2801863917517458
Energy: 1.2801487250584713
Energy: 1.148206233877107
Energy: 1.2801863917524516
Energy: 1.2801487250584713
Energy: 1.1482062338799308

minimum gb energy = 1.120022429227573 eV
minimum distance =  2.28854096916392 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.325706692695729
Energy: 1.1656021384430064
Energy: 1.1659070026345697
Energy: 1.2442779990504547
Energy: 1.1656021384402677
Energy: 1.1659070026482639
Energy: 1.325706692701207
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Energy: 1.076176357157355
Energy: 1.0507230377224654
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Energy: 1.2015138532508614
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Energy: 1.1373390927723892
Energy: 1.2015138532508614
Energy: 1.0215924802347174
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Energy: 1.2015138532508614
Energy: 1.1270437637556163
Energy: 1.0365578195416154
Energy: 1.0553238723864986
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Energy: 1.1270437638377315
Energy: 1.0365578195443543
Energy: 1.055323872394715
Energy: 1.1270437639527129
Energy: 1.1382024096946646
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Energy: 1.1267072270293395
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Energy: 1.1382024096974033
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Energy: 1.0605807412989512
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Energy: 1.0549661601881444
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Energy: 1.1281789964074538
Energy: 1.0706427218097925
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Energy: 1.1281789963938094
Energy: 1.0706427218070538
Energy: 1.1087087730842382
Energy: 1.1281789964074538
Energy: 1.0706427218070538
Energy: 1.1757484839403596
Energy: 1.0287315062624813
Energy: 1.1229850771119079
Energy: 1.1757484839513146
Energy: 1.0287315062542646
Energy: 1.1229850771091692
Energy: 1.1757484839485761
Energy: 1.0287315062597424
Energy: 1.1229850771091692
Energy: 1.1757484839430983
Energy: 1.1670550066367464
Energy: 1.166120129441297
Energy: 1.2847484173235142
Energy: 1.1670550066367464
Energy: 1.166120129441297
Energy: 1.2443744865635327
Energy: 1.167055006642224
Energy: 1.166120129441297
Energy: 1.2847484173344694
Energy: 1.1670550066449628
Energy: 1.0404273840077969
Energy: 1.1746160437347444
Energy: 1.1175434314593595
Energy: 1.0404273839968416
Energy: 1.1941704592082243
Energy: 1.0909673324175677
Energy: 1.0404273840077969
Energy: 1.1746160437320057
Energy: 1.117543431453882
Energy: 1.0404273840132743
Energy: 1.0254575531301182
Energy: 1.0811662037632583
Energy: 1.0821813039273651
Energy: 1.0254575531273795
Energy: 1.0811624752680131
Energy: 1.0821280251699934
Energy: 1.0254575531328574
Energy: 1.0811662037742138
Energy: 1.082181303924626
Energy: 1.0254575531301182
Energy: 1.0408129768494985
Energy: 1.0739437694542024
Energy: 1.051340247146045
Energy: 1.040812976838543
Energy: 1.0739459366139539
Energy: 1.0513402471542614
Energy: 1.040812976838543
Energy: 1.073943769432292
Energy: 1.0513402471652167
Energy: 1.040812976838543
Energy: 1.1607693922340383
Energy: 1.0811855873574288
Energy: 1.1220948472340357
Energy: 1.1607693922203441
Energy: 1.081199646196526
Energy: 1.1220948472422523
Energy: 1.1607693922312994
Energy: 1.0811855873629066
Energy: 1.1220948472285581
Energy: 1.1607693922285605
Energy: 1.0989289871926597
Energy: 1.1677669219854507
Energy: 1.0598089400689235
Energy: 1.0989289872008763
Energy: 1.167766921979973
Energy: 1.0598089400661845
Energy: 1.0989289871817047
Energy: 1.1677669219744955
Energy: 1.0598089400716622
Energy: 1.0989289871871821

minimum gb energy = 1.0215924802238119 eV
minimum distance =  2.23857383367991 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.7365246182283643
Energy: 0.608967017801908
Energy: 0.6090866888989798
Energy: 0.5752032256429465
Energy: 0.6089670178122525
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Energy: 0.736524618226118
Energy: 0.6089670178139076
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Energy: 0.5752032256425917
Energy: 0.6940409771455157
Energy: 0.5974315559260396
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Energy: 0.6129526798229513
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Energy: 0.6129526798255522
Energy: 0.5699988295578897
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Energy: 0.4607571403866909
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Energy: 0.460757140381489
Energy: 0.6128775214130925
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Energy: 0.6090866888996299
Energy: 0.46048158125514027
Energy: 0.608967017809356
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Energy: 0.46048158125449
Energy: 0.6089670178074055
Energy: 0.6090866889028811
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Energy: 0.6129526798271483
Energy: 0.5974315559279904
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Energy: 0.6035428088154798
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Energy: 0.6089830687892691
Energy: 0.7552199159425612
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Energy: 0.7273301747871818
Energy: 0.6401224374282839
Energy: 0.7552199159432114
Energy: 0.6091289923609295
Energy: 0.6394687039674578
Energy: 0.7671143587823361
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Energy: 0.6000356441147722
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Energy: 0.6394687039730143
Energy: 0.7671143587784939
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Energy: 0.7592611636321848
Energy: 0.5856092310070731
Energy: 0.6325724577458516
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Energy: 0.6325724577406499
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Energy: 0.6801638373798788
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Energy: 0.6087378068752537
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Energy: 0.6089830687993771
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Energy: 0.5893339955275073
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Energy: 0.5868247058958199
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Energy: 0.5993567518909817
Energy: 0.5893339955268572
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Energy: 0.7552199159445119
Energy: 0.7633134014923114
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Energy: 0.6903492337651471
Energy: 0.6003828889448566
Energy: 0.7552199159464624
Energy: 0.763313401498459
Energy: 0.6003828889481078
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Energy: 0.6091289923634713
Energy: 0.6000356441144175
Energy: 0.7671143587823361
Energy: 0.609128992361225
Energy: 0.6000356441134718
Energy: 0.7671143587813902
Energy: 0.6091289923579738
Energy: 0.6000356441108707
Energy: 0.7671143587797943
Energy: 0.6091289923579738
Energy: 0.759261163632835
Energy: 0.4619138636656045
Energy: 0.6325724577468566
Energy: 0.7592611636259781
Energy: 0.521409876627265
Energy: 0.6325724577445512
Energy: 0.7592611636259781
Energy: 0.4619138636672596
Energy: 0.632572457739704
Energy: 0.759261163632835
Energy: 0.6446635521203224
Energy: 0.633097567902858
Energy: 0.6089523602783955
Energy: 0.6446635521154753
Energy: 0.6330975679035082
Energy: 0.6089523602741395
Energy: 0.6446635521157709
Energy: 0.6330975678986611
Energy: 0.6089523602705929
Energy: 0.6446635521170713
Energy: 0.4607571403886416
Energy: 0.49432872259504546
Energy: 0.6407304448112645
Energy: 0.4607571403889371
Energy: 0.49432872259634597
Energy: 0.6407304448099641
Energy: 0.4607571403902376
Energy: 0.4943287225930948
Energy: 0.6407304448047622
Energy: 0.4607571403853904
Energy: 0.6128775214124422
Energy: 0.7105884806124749
Energy: 0.5985465192578279
Energy: 0.612877521415989
Energy: 0.7105884806121203
Energy: 0.598546519258478
Energy: 0.6128775214179396
Energy: 0.7105884806228787
Energy: 0.5985465192568821
Energy: 0.6128775214124422

minimum gb energy = 0.46048158125449 eV
minimum distance =  2.32586701639502 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.0547776668526838
Energy: 1.0578697305018074
Energy: 1.0578620101857357
Energy: 1.0019314911319965
Energy: 1.057869730496453
Energy: 1.0578620101768115
Energy: 1.0547776668544686
Energy: 1.0578697304928832
Energy: 1.057862010182166
Energy: 1.0019314911319965
Energy: 1.0267496509540968
Energy: 0.9828542676451802
Energy: 1.0171836764313196
Energy: 1.0267496509648053
Energy: 0.9828542676469652
Energy: 1.0171836764313196
Energy: 1.0267496509648053
Energy: 0.9828542676416107
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Energy: 1.0267496509558816
Energy: 1.0420210050375673
Energy: 0.985426363665765
Energy: 1.0064231462671847
Energy: 1.0420210050375673
Energy: 0.9854263636621954
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Energy: 1.0420210050339975
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Energy: 1.0420210050375673
Energy: 1.1470515992968684
Energy: 0.9814873642613917
Energy: 1.0127043368973039
Energy: 1.1470515993022226
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Energy: 1.0127043368973039
Energy: 1.147051599307577
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Energy: 1.0127043369008735
Energy: 1.1470515993040071
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Energy: 1.0394777102730752
Energy: 1.0138439358758444
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Energy: 1.0981864887534232
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Energy: 1.0553332874446317
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Energy: 1.0139932013476616
Energy: 0.9847158995006782
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Energy: 1.024526309623715
Energy: 1.0306478611855203
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Energy: 1.018168594339854
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Energy: 1.0306478611765966
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Energy: 1.062022048009292
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Energy: 1.0549419676611187
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Energy: 1.0402804381396142
Energy: 1.0549419676611187
Energy: 1.0465638618706483
Energy: 1.0186360171509514
Energy: 0.9835338297895738
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Energy: 1.0186360171509514
Energy: 0.9835338297877891
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Energy: 1.0186360171473818
Energy: 0.9835338297913587
Energy: 1.046563861874218
Energy: 1.06041864861767
Energy: 1.1441489784766985
Energy: 0.9420147648469281
Energy: 1.0604186486141007
Energy: 1.144148978480268
Energy: 0.9420147648486804
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Energy: 0.9420147648433584
Energy: 1.06041864861767
Energy: 1.0155395041534743
Energy: 1.0569703719497108
Energy: 0.9804499718040943
Energy: 1.015539504151722
Energy: 1.0569703719443564
Energy: 0.9804499718058466
Energy: 1.015539504151722
Energy: 1.056970371940787
Energy: 0.9804499718094163
Energy: 1.0155395041534743
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Energy: 1.05079373686306
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Energy: 1.0552080427009844
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Energy: 1.0157054582406684
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Energy: 1.0138879282168043
Energy: 1.0649598127080782
Energy: 1.0626015556210198
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Energy: 1.0651121705930868
Energy: 1.0136656782394338
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Energy: 1.0651121705877322
Energy: 1.0136656782376487
Energy: 1.0561036981899943
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Energy: 1.056103698186425
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Energy: 1.0188569989807765
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Energy: 0.9911167036263191
Energy: 1.0188569989772067
Energy: 0.9967866443237648
Energy: 0.9911167036281038

minimum gb energy = 0.9411467976561101 eV
minimum distance =  2.18864134329656 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.172251746650844
Energy: 1.2613761740140745
Energy: 1.2613640511271986
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Energy: 1.1727377396712793
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Energy: 1.3009483267052002
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Energy: 1.2645912114638593
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Energy: 1.3366877778754724
Energy: 1.2645912114638593
Energy: 1.2637069551751554
Energy: 1.3366877778754724
Energy: 1.2645912114649867

minimum gb energy = 1.1684601362726454 eV
minimum distance =  2.25274787183436 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.3881584850636661
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Energy: 1.3720377863477484
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Energy: 1.339599500554076
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minimum gb energy = 1.323817822621823 eV
minimum distance =  2.19785726981626 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.4240090707123978
Energy: 1.405937574708821
Energy: 1.3326590030353234
Energy: 1.4093195639764688
Energy: 1.4059375747114888
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Energy: 1.405937574716825
Energy: 1.3326590030299872
Energy: 1.4093195639684648
Energy: 1.3667610735359739
Energy: 1.3750958355193563
Energy: 1.3804363184958979
Energy: 1.3588756655726932
Energy: 1.375095835511352
Energy: 1.3804363184958979
Energy: 1.3667610735386417
Energy: 1.375095835511352
Energy: 1.380436318490562
Energy: 1.3588756655726932
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Energy: 1.3324364882794728
Energy: 1.3953213977219345
Energy: 1.4124392472506453
Energy: 1.3324364882794728
Energy: 1.3953213977219345
Energy: 1.4124392472533132
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Energy: 1.3953213977165988
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Energy: 1.348296481050233
Energy: 1.3296856690762933
Energy: 1.3450915416974638
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Energy: 1.3298951573185467
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Energy: 1.3431416479141285
Energy: 1.3560619744611437
Energy: 1.3962613520356497
Energy: 1.3431416479087925
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Energy: 1.3962613520329814
Energy: 1.3431416479167966
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Energy: 1.3962613520303133
Energy: 1.3344290079856114
Energy: 1.4524804850617408
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Energy: 1.3344290079882795
Energy: 1.4524804850644086
Energy: 1.4218285440413638
Energy: 1.3344290079936156
Energy: 1.4524804850617408
Energy: 1.4218242367589768
Energy: 1.3344290079829433
Energy: 1.332435756813635
Energy: 1.3205938573442848
Energy: 1.4126294048342432
Energy: 1.3324357568109668
Energy: 1.3205938573442848
Energy: 1.412629404828907
Energy: 1.3324357568056306
Energy: 1.320593857346953
Energy: 1.4126294048315748
Energy: 1.3324357568109668
Energy: 1.4703791189351219
Energy: 1.3690240539498757
Energy: 1.3690915868004443
Energy: 1.47037911893779
Energy: 1.3690240539525438
Energy: 1.3690915868057802
Energy: 1.47037911893779
Energy: 1.3690240539498757
Energy: 1.3690915868084483
Energy: 1.470379118940458
Energy: 1.3323693349295802
Energy: 1.4298835536261103
Energy: 1.3321444923287218
Energy: 1.3323693349295802
Energy: 1.4298835536234424
Energy: 1.332144492326054
Energy: 1.3323693349269123
Energy: 1.4298835536287786
Energy: 1.3321444923313897
Energy: 1.3323693349269123
Energy: 1.3335378804656088
Energy: 1.410597665467699
Energy: 1.4520055714070519
Energy: 1.3335378804656088
Energy: 1.410597665465031
Energy: 1.4520055714044324
Energy: 1.3335378804549367
Energy: 1.4105976654703674
Energy: 1.4520055714044324
Energy: 1.3335378804656088
Energy: 1.3960269712724347
Energy: 1.3589930192423607
Energy: 1.339001306372451
Energy: 1.3960269712724347
Energy: 1.3589930192396928
Energy: 1.3390242488343473
Energy: 1.3960269712697668
Energy: 1.3589930192396928
Energy: 1.3390013063751194
Energy: 1.3960269712724347
Energy: 1.4116014116726887
Energy: 1.386499257443534
Energy: 1.326630006667642
Energy: 1.4116014116726887
Energy: 1.3864992574462018
Energy: 1.326630006667642
Energy: 1.4116014116780247
Energy: 1.3864992574328614
Energy: 1.32663000667031
Energy: 1.4116014116726887

minimum gb energy = 1.3205938573442848 eV
minimum distance =  2.20245425989746 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.3552001867403691
Energy: 1.357289646737712
Energy: 1.3572981439885412
Energy: 1.355200186741816
Energy: 1.3572896467444633
Energy: 1.3572981439890235
Energy: 1.3552001867408514
Energy: 1.357289646742052
Energy: 1.3572981439914347
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Energy: 1.3538608961805974
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Energy: 1.3564668516639178
Energy: 1.353860896179633
Energy: 1.3550119332982542
Energy: 1.3559260348020887
Energy: 1.3002944690604268
Energy: 1.3550119333006654
Energy: 1.3559260348025708
Energy: 1.3002980070957195
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Energy: 1.3559260348016065
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Energy: 1.3006208330112006
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Energy: 1.3572896467386766
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Energy: 1.3564668516634357
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Energy: 1.356466851666329
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Energy: 1.3556813705786153
Energy: 1.3564668516644
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Energy: 1.355681370580062
Energy: 1.3559260348025708
Energy: 1.3002955912537304
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Energy: 1.3559260348016065
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Energy: 1.3559260348020887
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Energy: 1.355011933299701
Energy: 1.3559260348016065
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Energy: 1.3549996799002644
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Energy: 1.3006172392259032
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Energy: 1.3538608961810796
Energy: 1.355681370580062
Energy: 1.356466851666329
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Energy: 1.3564668516653646
Energy: 1.3002974009012316
Energy: 1.3550119333006654
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Energy: 1.3559260348025708
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Energy: 1.3006153493655963
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Energy: 1.3006168809795249
Energy: 1.355864908637892
Energy: 1.3549996799017108
Energy: 1.300608932419646
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Energy: 1.3538811045221617
Energy: 1.3564811547666176
Energy: 1.3555143727606345
Energy: 1.3538811045245727
Energy: 1.3564811547690288
Energy: 1.3555143727601524
Energy: 1.3538811045231263
Energy: 1.3564811547666176
Energy: 1.3555143727606345
Energy: 1.3538811045231263
Energy: 1.3552001867408514
Energy: 1.357289646739641
Energy: 1.35729814399047
Energy: 1.3552001867427803
Energy: 1.357289646737712
Energy: 1.357298143992399
Energy: 1.3552001867403691
Energy: 1.357289646739641
Energy: 1.3572981439890235
Energy: 1.3552001867432624
Energy: 1.3538608961786684
Energy: 1.3556813705805442
Energy: 1.3564668516668112
Energy: 1.3538608961762573
Energy: 1.3556813705795796
Energy: 1.356466851666329
Energy: 1.3538608961825265
Energy: 1.3556813705805442
Energy: 1.3564668516639178
Energy: 1.3538608961801153
Energy: 1.3550119332977721
Energy: 1.3559260348016065
Energy: 1.3002998786446207
Energy: 1.3550119333011479
Energy: 1.3559260348016065
Energy: 1.3002890171747343
Energy: 1.3550119332987365
Energy: 1.3559260348016065
Energy: 1.3002987741969014
Energy: 1.355011933299701
Energy: 1.3006152170949827
Energy: 1.355864908637892
Energy: 1.3549996799017108
Energy: 1.300596338714145
Energy: 1.3558649086364454
Energy: 1.354999679899782
Energy: 1.3006058592127363
Energy: 1.3558649086383743
Energy: 1.3549996799017108
Energy: 1.3005987783350574
Energy: 1.3564811547690288
Energy: 1.3555143727611167
Energy: 1.3538811045216796
Energy: 1.3564811547666176
Energy: 1.3555143727611167
Energy: 1.353881104525537
Energy: 1.3564811547666176
Energy: 1.3555143727606345
Energy: 1.353881104525055
Energy: 1.356481154767582
Energy: 1.3572896467430167
Energy: 1.3572981439861302
Energy: 1.3552001867413335
Energy: 1.3572896467391589
Energy: 1.3572981439875769
Energy: 1.3552001867427803
Energy: 1.3572896467391589
Energy: 1.3572981439846834
Energy: 1.355200186741816
Energy: 1.357289646739641
Energy: 1.355681370580062
Energy: 1.356466851665847
Energy: 1.3538608961801153
Energy: 1.3556813705805442
Energy: 1.356466851665847
Energy: 1.353860896177704
Energy: 1.355681370580062
Energy: 1.3564668516639178
Energy: 1.3538608961834908
Energy: 1.3556813705795796

minimum gb energy = 1.3002890171747343 eV
minimum distance =  2.26842186744841 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.3629550647981115
Energy: 1.4136759777634382
Energy: 1.4141999158799594
Energy: 1.3192734310577747
Energy: 1.4136759777590664
Energy: 1.4141999158777736
Energy: 1.3629550647981115
Energy: 1.4136759777612524
Energy: 1.4141999158864773
Energy: 1.3192734310577747
Energy: 1.4163617484645779
Energy: 1.3290863839024023
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Energy: 1.4163617484667637
Energy: 1.329086383904588
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Energy: 1.4163617484645779
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Energy: 1.4131293998139947
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Energy: 1.297456382583297
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Energy: 1.2852998015724963
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Energy: 1.427377518289947
Energy: 1.287987396779353
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Energy: 1.4259845103887685
Energy: 1.287776221595952
Energy: 1.3412802266599217
Energy: 1.4273775182833897
Energy: 1.2879873967924684
Energy: 1.3412802266555501
Energy: 1.4259845103931403
Energy: 1.3220856085830355
Energy: 1.298452888659038
Energy: 1.3904536160143246
Energy: 1.3220856085895933
Energy: 1.298452888659038
Energy: 1.3904536160208822
Energy: 1.3220856085874073
Energy: 1.2984528886655962
Energy: 1.3904536160143246
Energy: 1.3220856085852215
Energy: 1.3827159767898256
Energy: 1.3555374863470582
Energy: 1.3145869823753362
Energy: 1.382715976781082
Energy: 1.3555374863492442
Energy: 1.3145596885883832
Energy: 1.3827159767876398
Energy: 1.3555374863361287
Energy: 1.3145869823731502
Energy: 1.3827159767876398
Energy: 1.2859276604226748
Energy: 1.3212397666851097
Energy: 1.4651537084569335
Energy: 1.2859276604292325
Energy: 1.3212397666894815
Energy: 1.4651537084656772
Energy: 1.2859276604292325
Energy: 1.3212397666916673
Energy: 1.4651537084656772
Energy: 1.2859276604248606
Energy: 1.362415862163174
Energy: 1.4616524569704195
Energy: 1.3598780419016594
Energy: 1.318891417775978
Energy: 1.4616524569682334
Energy: 1.3598780419016594
Energy: 1.3624158621478724
Energy: 1.4616524569747913
Energy: 1.3598780419060312
Energy: 1.3188914177781643
Energy: 1.3621682719586081
Energy: 1.3010090274993131
Energy: 1.4488388004502417
Energy: 1.3184664898721654
Energy: 1.301009027501499
Energy: 1.450123565269696
Energy: 1.362168271965166
Energy: 1.3010090274949415
Energy: 1.4488388004458699
Energy: 1.3184664898765373
Energy: 1.2853626706824612
Energy: 1.4262860751913489
Energy: 1.3209264315137077
Energy: 1.285362670684647
Energy: 1.426286075186977
Energy: 1.3209264315137077
Energy: 1.2853626706759034
Energy: 1.4262860751913489
Energy: 1.3209264315093359
Energy: 1.2853626706824612
Energy: 1.3763992751392464
Energy: 1.3165482846076388
Energy: 1.2952887397881325
Energy: 1.3763992751392464
Energy: 1.3165482846076388
Energy: 1.2952887397903188
Energy: 1.376399275141432
Energy: 1.3165482846076388
Energy: 1.2952887397946506
Energy: 1.3763992751436183
Energy: 1.3237314239809672
Energy: 1.466190007082108
Energy: 1.2917398675220642
Energy: 1.3237314239744093
Energy: 1.466190007084254
Energy: 1.2920325561826296
Energy: 1.323731423983153
Energy: 1.466190007082108
Energy: 1.2917398675176923
Energy: 1.323731423991857
Energy: 1.5075594387346187
Energy: 1.3985892493691712
Energy: 1.2890881895888717
Energy: 1.5075594387411764
Energy: 1.398589249364839
Energy: 1.2890881895976152
Energy: 1.5075594387368048
Energy: 1.398589249364839
Energy: 1.289088189601987
Energy: 1.5075594387389906
Energy: 1.299417103811289
Energy: 1.469043263475009
Energy: 1.318407009706767
Energy: 1.2994171038222186
Energy: 1.4690432634684514
Energy: 1.318407009700249
Energy: 1.2994171038244042
Energy: 1.4690432634793413
Energy: 1.318407009706767
Energy: 1.2994171038178466
Energy: 1.496976621032319
Energy: 1.3918663579982913
Energy: 1.2862972922268783
Energy: 1.4969766210432485
Energy: 1.3918663579939197
Energy: 1.2862972922334357
Energy: 1.4969766210476203
Energy: 1.3918663580004773
Energy: 1.2862972922268783
Energy: 1.4969766210345048
Energy: 1.3287419790324537
Energy: 1.4064516329324295
Energy: 1.3389751119704898
Energy: 1.3287419790368256
Energy: 1.4064516329324295
Energy: 1.3389751119748616
Energy: 1.3287419790280819
Energy: 1.406451632930244
Energy: 1.3389751119704898
Energy: 1.3287419790324537
Energy: 1.4672697802092372
Energy: 1.346870117354969
Energy: 1.3455358882491386
Energy: 1.4672697802267245
Energy: 1.3243602878980998
Energy: 1.32410899417318
Energy: 1.4672697802310963
Energy: 1.3468701173484114
Energy: 1.3455358882556967
Energy: 1.4672697802201669
Energy: 1.2937461103025305
Energy: 1.2835407263754561
Energy: 1.3913384878676578
Energy: 1.2937461102959729
Energy: 1.2835407263754561
Energy: 1.3913384878742154
Energy: 1.2937461102872292
Energy: 1.28354072637327
Energy: 1.3913384878742154
Energy: 1.2937461102937868
Energy: 1.347257349638051
Energy: 1.5089880976477825
Energy: 1.3479389271274043
Energy: 1.3472573496227496
Energy: 1.5089880976521544
Energy: 1.3479389271230324
Energy: 1.3472573496227496
Energy: 1.5089880976565262
Energy: 1.347938927125218
Energy: 1.3472573496293077
Energy: 1.4136185943434043
Energy: 1.2906586268035312
Energy: 1.3546772661851942
Energy: 1.4136185943368862
Energy: 1.290665509860174
Energy: 1.3546772661808224
Energy: 1.4136185943477761
Energy: 1.2906586268013451
Energy: 1.3546772661851942
Energy: 1.4136185943390325
Energy: 1.3247392377618588
Energy: 1.322149846728536
Energy: 1.4682649814122266
Energy: 1.3247392377574867
Energy: 1.32214984672635
Energy: 1.4682649814165984
Energy: 1.3247392377574867
Energy: 1.322149846728536
Energy: 1.4682649814122266
Energy: 1.324739237750929
Energy: 1.4090268315726013
Energy: 1.3486966226922956
Energy: 1.3116294122077599
Energy: 1.4090268315747874
Energy: 1.348696622698853
Energy: 1.3116511728027556
Energy: 1.4090268315769732
Energy: 1.348696622701039
Energy: 1.3116294122055743
Energy: 1.4090268315769732
Energy: 1.2864547298932845
Energy: 1.3535555592812851
Energy: 1.2954301531212942
Energy: 1.286454729882355
Energy: 1.3535555592856567
Energy: 1.2954301531212942
Energy: 1.2864547298889126
Energy: 1.3535555592856567
Energy: 1.295430153125666
Energy: 1.2864547298954703
Energy: 1.318288264600698
Energy: 1.4602090749833847
Energy: 1.3014213455695265
Energy: 1.318288264600698
Energy: 1.4602090749811987
Energy: 1.3014213455782302
Energy: 1.318288264600698
Energy: 1.4602090749746413
Energy: 1.301421345586974
Energy: 1.318288264600698

minimum gb energy = 1.2782771532744794 eV
minimum distance =  2.21382270863282 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.2509590127043224
Energy: 1.2752842391820427
Energy: 1.4163855128763747
Energy: 1.250959012705119
Energy: 1.2752842391812462
Energy: 1.4163855128731895
Energy: 1.2509590127043224
Energy: 1.2752842391820427
Energy: 1.4163855128771712
Energy: 1.2509590127059151
Energy: 1.2861466844994915
Energy: 1.2208418213131158
Energy: 1.2441209257930428
Energy: 1.286146684538441
Energy: 1.220841821315505
Energy: 1.244120925793839
Energy: 1.2861466844286153
Energy: 1.2208418213131158
Energy: 1.2441209257922463
Energy: 1.286146684554368
Energy: 1.2087162595630208
Energy: 1.2070066797920325
Energy: 1.3736571087944645
Energy: 1.2087162595614283
Energy: 1.2070066797928287
Energy: 1.3738225895358216
Energy: 1.2087162595662064
Energy: 1.2070066797912362
Energy: 1.3736778474711133
Energy: 1.208716259563817
Energy: 1.3697202729412405
Energy: 1.381200526817209
Energy: 1.2863213589406262
Energy: 1.369720272942037
Energy: 1.3812005268211909
Energy: 1.2863213589383096
Energy: 1.3697202729412405
Energy: 1.3812005268203944
Energy: 1.2863213589406262
Energy: 1.3697202729412405
Energy: 1.2886853696182963
Energy: 1.2403263800716426
Energy: 1.3581548396508802
Energy: 1.288685369615111
Energy: 1.2403263800716426
Energy: 1.3581548396516767
Energy: 1.2886853696190927
Energy: 1.240326380072439
Energy: 1.3581548396508802
Energy: 1.288685369615111
Energy: 1.2882126492656776
Energy: 1.4175565154255612
Energy: 1.2212947887567094
Energy: 1.2882126492601031
Energy: 1.4175565154247651
Energy: 1.2212947887575059
Energy: 1.2882126492648815
Energy: 1.4175565154255612
Energy: 1.2212947887567094
Energy: 1.2882126492608994
Energy: 1.39658550134421
Energy: 1.3285592967662918
Energy: 1.2066461971136273
Energy: 1.3965855013434134
Energy: 1.328559296774183
Energy: 1.2066461971128308
Energy: 1.39658550134421
Energy: 1.2587948413302612
Energy: 1.2066461971144236
Energy: 1.39658550134421
Energy: 1.2644994190313137
Energy: 1.4409751809941493
Energy: 1.2348064936566678
Energy: 1.2644994190273318
Energy: 1.4409751809901674
Energy: 1.2348064936574643
Energy: 1.2644994190289245
Energy: 1.4409751809941493
Energy: 1.2348064936582608
Energy: 1.2644994190305174
Energy: 1.4590415915484076
Energy: 1.2415402394143742
Energy: 1.2405542204358782
Energy: 1.4590415915492039
Energy: 1.2415402394135777
Energy: 1.2405542204366744
Energy: 1.4590415915484076
Energy: 1.2415402394143742
Energy: 1.2405542204358782
Energy: 1.4590415915500003
Energy: 1.3576217200948515
Energy: 1.276054885638549
Energy: 1.3703040310315147
Energy: 1.357621720095648
Energy: 1.2760548856337708
Energy: 1.3707531479841977
Energy: 1.3576217200964444
Energy: 1.2760548856377525
Energy: 1.3707404004348793
Energy: 1.3576217200980374
Energy: 1.3340315009270005
Energy: 1.3338155920465136
Energy: 1.2880748820543275
Energy: 1.334031500926204
Energy: 1.3338155920449208
Energy: 1.2880748820535313
Energy: 1.3340315009293897
Energy: 1.333815592048106
Energy: 1.2620302713751508
Energy: 1.3340315009254078
Energy: 1.2975043360843765
Energy: 1.2207413651473042
Energy: 1.2454599567010745
Energy: 1.2975043360859695
Energy: 1.2207413651457113
Energy: 1.245459956700278
Energy: 1.2975043360843765
Energy: 1.2207413651465078
Energy: 1.2454599567018707
Energy: 1.297504336085173
Energy: 1.2401055287297276
Energy: 1.577772481400939
Energy: 1.2404498776124762
Energy: 1.240105528730524
Energy: 1.57777248139855
Energy: 1.2404498776124762
Energy: 1.2401055287297276
Energy: 1.577772481400939
Energy: 1.2404498776124762
Energy: 1.240105528730524
Energy: 1.24390979970661
Energy: 1.2236571931088742
Energy: 1.2376279222800521
Energy: 1.243909799708203
Energy: 1.2236571931064848
Energy: 1.2376279222824416
Energy: 1.2439097997089994
Energy: 1.2236571931088742
Energy: 1.237627922281645
Energy: 1.2439097997089994

minimum gb energy = 1.2066461971128308 eV
minimum distance =  2.22370087778423 Angstroms
sigma value = 33