Model name: model_name=MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650763273239
cohesive_energy=3.360264252983419
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.012707190880780763
Energy: 0.28429902603106794
Energy: 0.3980214774396202
Energy: 0.2841955822229948
Energy: 0.012707190880189843
Energy: 0.28429902603147705
Energy: 0.21576141152495004
Energy: 0.3973260800491279
Energy: 0.013139957377719093
Energy: 0.11423602305855748
Energy: 0.013160573870362569
Energy: 0.3973260800483325
Energy: 0.01313995737831001
Energy: 0.11423602305855748
Energy: 0.012707190880780763
Energy: 0.28429902603106794
Energy: 0.4944502791654909
Energy: 0.2841955822229948
Energy: 0.012707190879985295
Energy: 0.28429902603147705
Energy: 0.21576141152554096
Energy: 0.3973260800489234
Energy: 0.013139957377719093
Energy: 0.11423602305835294
Energy: 0.013160573870158019
Energy: 0.3973260800487416
Energy: 0.013139957378514559
Energy: 0.11423602305855748
Energy: 0.012707190880780763
Energy: 0.28429902603106794
Energy: 0.21576141152613187
Energy: 0.2841955822229948
Energy: 0.012707190880189843
Energy: 0.28429902603147705
Energy: 0.21576141152574552
Energy: 0.3973260800491279
Energy: 0.013139957377514545
Energy: 0.11423602305855748
Energy: 0.013160573870158019
Energy: 0.3973260800487416
Energy: 0.01313995737831001
Energy: 0.11423602305855748

minimum gb energy = 0.012707190879985295 eV
minimum distance =  2.83315362327086 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.6654770252898353
Energy: 0.6890923508606505
Energy: 0.7295424645219769
Energy: 0.689253919664993
Energy: 0.6654770252947221
Energy: 0.6890923508630938
Energy: 0.7266729654174557
Energy: 0.6412436417774614
Energy: 0.6332621425748133
Energy: 0.6782233407340477
Energy: 0.6336242247566303
Energy: 0.641243641775018
Energy: 0.6332621425772567
Energy: 0.6782233407340477
Energy: 0.6239430354258806
Energy: 0.6329500355132449
Energy: 0.696624304174435
Energy: 0.651295864881865
Energy: 0.6239430354258806
Energy: 0.632950035508358
Energy: 0.7157932186309924
Energy: 0.6584057990051814
Energy: 0.6556812348183225
Energy: 0.69925218106949
Energy: 0.6280225907903001
Energy: 0.6584058771161162
Energy: 0.6556812348183225
Energy: 0.6992521810670466
Energy: 0.6252953289845317
Energy: 0.6243899967213191
Energy: 0.6947566466764773
Energy: 0.6547135726961784
Energy: 0.6252953289820882
Energy: 0.6243899967213191
Energy: 0.7034269092921103
Energy: 0.6508729002918549
Energy: 0.6597819507835944
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Energy: 0.6267867264000304
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Energy: 0.6597819507811509
Energy: 0.6529115762528946
Energy: 0.6167706044893498
Energy: 0.6505036393570581
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Energy: 0.6527302999694956
Energy: 0.6167706044844631
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Energy: 0.6777978048719013
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Energy: 0.6300362160326893
Energy: 0.6796478059139093
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Energy: 0.6559738943130599
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Energy: 0.6393791096560608
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Energy: 0.6349019118954625
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Energy: 0.6209941741096172
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Energy: 0.7019671358688465
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Energy: 0.6396286399689965
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Energy: 0.6348224473157908
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Energy: 0.6300167221314933
Energy: 0.7003384844782485
Energy: 0.6469380254139193
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Energy: 0.6218966720952249
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Energy: 0.6265836813460397
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Energy: 0.6713980930829846
Energy: 0.6492503878960912
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Energy: 0.6531889227312808
Energy: 0.6333962414863583
Energy: 0.7183871826902443
Energy: 0.6556477457128244
Energy: 0.6531889227337242
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Energy: 0.7183871826926876
Energy: 0.6391516313413299
Energy: 0.6514301762232605
Energy: 0.7173994148027051
Energy: 0.6509084847261597
Energy: 0.6391516310800166
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Energy: 0.7173994148002617
Energy: 0.6388818553119883
Energy: 0.6579052093722292
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Energy: 0.6310781554636418
Energy: 0.6388818553046579
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Energy: 0.6368420445710544
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Energy: 0.6412585369142231
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Energy: 0.6785384644664424
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Energy: 0.7189134106266165
Energy: 0.6468702150534832
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Energy: 0.7189134106290599
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Energy: 0.6416395942897418
Energy: 0.7067154659923257
Energy: 0.6396682661619469
Energy: 0.6435313038988653
Energy: 0.6416395942970721
Energy: 0.7067154659947691
Energy: 0.6524466684296812
Energy: 0.6798448110717807
Energy: 0.7173080878830836
Energy: 0.6627067272545214
Energy: 0.6524466684272379
Energy: 0.6798448110107396
Energy: 0.7173080878830836
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Energy: 0.6360662421642514
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Energy: 0.6556880126049258
Energy: 0.6449333022815147
Energy: 0.6360662421740253
Energy: 0.6629787274037573
Energy: 0.6508117795934412
Energy: 0.6326994807646182
Energy: 0.7150357917035582
Energy: 0.6294542226782982
Energy: 0.6508117795958845
Energy: 0.6326994807646182
Energy: 0.7150357917133321
Energy: 0.6893998101097956
Energy: 0.6392621077303265
Energy: 0.7254632785208915
Energy: 0.6546119155094764
Energy: 0.6893998101073521
Energy: 0.639262107781594
Energy: 0.7254632785208915
Energy: 0.6415939867143576
Energy: 0.6501098721591669
Energy: 0.6983052261797649
Energy: 0.6694562173462945
Energy: 0.6415939867168011
Energy: 0.6501098721567236
Energy: 0.6983052261797649
Energy: 0.624531233772915
Energy: 0.64303705471402
Energy: 0.6977744550763492
Energy: 0.6353477986122558
Energy: 0.6245312337753585
Energy: 0.6430370547164633
Energy: 0.6977744550787925
Energy: 0.6211680711743522
Energy: 0.6574372386983819
Energy: 0.6919972063512065
Energy: 0.6720187618922551
Energy: 0.6211680711694654
Energy: 0.6574372386861648
Energy: 0.6919972071913894
Energy: 0.6191469452914938
Energy: 0.6558692871786823
Energy: 0.6626151380885814
Energy: 0.6213287760991992
Energy: 0.6191469452890505
Energy: 0.6558692871811256
Energy: 0.6626151380861379

minimum gb energy = 0.6167706044844631 eV
minimum distance =  2.53528200163059 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.6372516408601362
Energy: 0.6523002471642155
Energy: 0.7108816762561818
Energy: 0.6531587303899792
Energy: 0.6372516408587242
Energy: 0.6523002471636609
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Energy: 0.7004666324214618
Energy: 0.6413644287402345
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Energy: 0.6612269408112352
Energy: 0.6422561395675449
Energy: 0.6594600442386483
Energy: 0.6475898285425657
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Energy: 0.6381909621240137
Energy: 0.640563281106952
Energy: 0.6509935147118352
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Energy: 0.6374668433586701
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Energy: 0.6426509718187144
Energy: 0.6614937182891985
Energy: 0.6318211583530058
Energy: 0.6475802442356589
Energy: 0.6579224255728594
Energy: 0.6444127592882598
Energy: 0.6318211583527538
Energy: 0.6475802442362135
Energy: 0.6556579415730978
Energy: 0.6336064200814789
Energy: 0.6379767299554541
Energy: 0.6950842618817527
Energy: 0.6468579731248639
Energy: 0.6336064200825883
Energy: 0.6379767299543446
Energy: 0.6950842618820553
Energy: 0.6406215921109915
Energy: 0.6537893567659898
Energy: 0.686877460105162
Energy: 0.6349438858404818
Energy: 0.6406215921121009
Energy: 0.6537893567659898
Energy: 0.6868774601040527
Energy: 0.6424606322264019
Energy: 0.6471469964850228
Energy: 0.6403519315393944
Energy: 0.6351437063246413
Energy: 0.6424606322269568
Energy: 0.6471469964853255
Energy: 0.6403519291809758
Energy: 0.6391873712312736
Energy: 0.6319311639337427
Energy: 0.6691037641509594
Energy: 0.6528526436392043
Energy: 0.639187371232383
Energy: 0.6319311639359615
Energy: 0.6691037641537331
Energy: 0.6294131699990436
Energy: 0.6391055311795475
Energy: 0.640879240263178
Energy: 0.6358502904431422
Energy: 0.6294131699968248
Energy: 0.6391055311770766
Energy: 0.6408792402121447
Energy: 0.6210958255615112
Energy: 0.6523002471653251
Energy: 0.710881676255375
Energy: 0.6531587303913913
Energy: 0.6210958255612087
Energy: 0.6523002471656275
Energy: 0.7108816762567365
Energy: 0.6297949303581657
Energy: 0.6799320162462118
Energy: 0.7004666324214618
Energy: 0.6461270953846033
Energy: 0.6297949303592751
Energy: 0.6799320162459094
Energy: 0.7004666324220166

minimum gb energy = 0.6210958255612087 eV
minimum distance =  2.56113657262177 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.6846948859007882
Energy: 0.6598867259199332
Energy: 0.754289642014803
Energy: 0.6615848533909509
Energy: 0.6846948862029836
Energy: 0.6598861657749225
Energy: 0.7305953595266618
Energy: 0.6883814450827336
Energy: 0.6408341363122332
Energy: 0.6660580333847044
Energy: 0.6562022827351833
Energy: 0.6883814450824134
Energy: 0.6408341363125535
Energy: 0.6660580335213977
Energy: 0.6486231583697308
Energy: 0.6686588535634589
Energy: 0.7075502308360064
Energy: 0.6578065082859729
Energy: 0.6486231583703713
Energy: 0.6686588535640995
Energy: 0.6917410031827556
Energy: 0.6491231012612654
Energy: 0.648826841209947
Energy: 0.68680672021037
Energy: 0.6318626338670741
Energy: 0.6491231012609452
Energy: 0.6488268412096266
Energy: 0.6868067509955551
Energy: 0.6631515341335231
Energy: 0.651781222990688
Energy: 0.6950106537124503
Energy: 0.6572104122975144
Energy: 0.663151534005477
Energy: 0.6517812229910083
Energy: 0.6950106550873603
Energy: 0.6618050923656563
Energy: 0.6423771765152737
Energy: 0.6709428306657359
Energy: 0.6330525091819952
Energy: 0.6618050923659765
Energy: 0.642377176515594
Energy: 0.6709428304880785
Energy: 0.6705458774464724
Energy: 0.6945726741643851
Energy: 0.6642985530868539
Energy: 0.6510139698795947
Energy: 0.6705458774464724
Energy: 0.6945726741643851
Energy: 0.6568466935965227
Energy: 0.6605827968558508
Energy: 0.6374615794668499
Energy: 0.7011419071583228
Energy: 0.6403708919665155
Energy: 0.6605827968555305
Energy: 0.6374615794671701
Energy: 0.7011419072543574
Energy: 0.6483241056292053
Energy: 0.6362801499931157
Energy: 0.7080776519741423
Energy: 0.6374643659207481
Energy: 0.6483241056298458
Energy: 0.6362801499453967
Energy: 0.7080766109253775
Energy: 0.6686122869868102
Energy: 0.6842230615055895
Energy: 0.6966264442043385
Energy: 0.6963249638469972
Energy: 0.6686122869880914
Energy: 0.6842230615059098
Energy: 0.6966264523600058
Energy: 0.6792627602644509
Energy: 0.6525952799019075
Energy: 0.7258380779989833
Energy: 0.6486491348956092
Energy: 0.6792627602647712
Energy: 0.6525952799067114
Energy: 0.7258380689790043
Energy: 0.6804049817756425
Energy: 0.6822495334903249
Energy: 0.6922973368901999
Energy: 0.6623655216421609
Energy: 0.6804049817750019
Energy: 0.6822495334909655
Energy: 0.6922973368844353
Energy: 0.6679633524160067
Energy: 0.6458428791616182
Energy: 0.69753021687102
Energy: 0.6502572879503994
Energy: 0.6679633524169674
Energy: 0.6458428791616182
Energy: 0.69753021687102
Energy: 0.640167260408311
Energy: 0.6642638648294491
Energy: 0.6726275734209896
Energy: 0.6576827333267168
Energy: 0.6401672604086311
Energy: 0.6642638648288086
Energy: 0.6726275734213096
Energy: 0.6661492360800391
Energy: 0.6456462005362109
Energy: 0.6875263004596365
Energy: 0.6323467102599784
Energy: 0.6661492360803593
Energy: 0.6456462005358906
Energy: 0.687526300458996
Energy: 0.6726851401465338
Energy: 0.6633844714819029
Energy: 0.6986643707411363
Energy: 0.6976785820488393
Energy: 0.6726851401465338
Energy: 0.6633844714815827
Energy: 0.698664369892823
Energy: 0.6892657731943495
Energy: 0.6461880308057373
Energy: 0.727850301075925
Energy: 0.6403975237496798
Energy: 0.6892657731940293
Energy: 0.6461880308050967
Energy: 0.7278503010848922
Energy: 0.6761958633081167
Energy: 0.6963138545960498
Energy: 0.7269800476132945
Energy: 0.655860964284141
Energy: 0.6761958633087571
Energy: 0.6963138545960498
Energy: 0.7269800652931334
Energy: 0.6468185949187686
Energy: 0.6373820380837483
Energy: 0.6867288611744337
Energy: 0.6291235039066646
Energy: 0.6468185949187686
Energy: 0.637382038083428
Energy: 0.6867287927624421
Energy: 0.6588987393462732
Energy: 0.6469793905168006
Energy: 0.7011176668087304
Energy: 0.6376262128896619
Energy: 0.6588987393456327
Energy: 0.6469793905171211
Energy: 0.7011176598861705
Energy: 0.6612036979517346
Energy: 0.6658305210592954
Energy: 0.6798871580352812
Energy: 0.6945774056537302
Energy: 0.6612036979520548
Energy: 0.6658305210557726
Energy: 0.6798871580330395
Energy: 0.6603860845183922
Energy: 0.6334730384882015
Energy: 0.6690958288651992
Energy: 0.6409222804493767
Energy: 0.6603860845180719
Energy: 0.6334730384882015
Energy: 0.6690958288920721
Energy: 0.6879534587794357
Energy: 0.6573323791981291
Energy: 0.681872001939978
Energy: 0.6517037295081164
Energy: 0.6879534587787952
Energy: 0.6573323790729654
Energy: 0.6818720002823939
Energy: 0.6685737726493277
Energy: 0.631799160867569
Energy: 0.6949039320076398
Energy: 0.6488438692293321
Energy: 0.6685737726502885
Energy: 0.631799160867569
Energy: 0.6949039320073195
Energy: 0.6491133095776798
Energy: 0.6588771113083907
Energy: 0.6724171667088136
Energy: 0.6610994253431712
Energy: 0.6491133095780002
Energy: 0.6588771113080704
Energy: 0.6724177311498356
Energy: 0.6931507141907024
Energy: 0.6599149624759216
Energy: 0.6673903337908125
Energy: 0.6407785796628115
Energy: 0.6931507141910227
Energy: 0.6599149624756013
Energy: 0.6673903337780022
Energy: 0.6607195815057549
Energy: 0.660892916586601
Energy: 0.7497487000258318
Energy: 0.6600289725061749
Energy: 0.6607195858030329
Energy: 0.6608929165875618
Energy: 0.7497487002685025
Energy: 0.7038638793450989
Energy: 0.6421987798841438
Energy: 0.6791623008600428
Energy: 0.6526142086846027
Energy: 0.703863879345419
Energy: 0.6421987798838235
Energy: 0.6791623010438144
Energy: 0.6555762782784929
Energy: 0.6649258018909513
Energy: 0.6893557082574467
Energy: 0.6571796473922745
Energy: 0.6555762781209826
Energy: 0.664925801890631
Energy: 0.6893496413776857
Energy: 0.6452013706328515
Energy: 0.6425628496165668
Energy: 0.6863787155241436
Energy: 0.6318085344120387
Energy: 0.6452013705822793
Energy: 0.6425628496162465
Energy: 0.6863787160648318
Energy: 0.6676676638689086
Energy: 0.6517650377291296
Energy: 0.6960409587237151
Energy: 0.664495487436582
Energy: 0.6676676638807583
Energy: 0.6517650377291296
Energy: 0.69604254052983
Energy: 0.6604733459642801
Energy: 0.6467390359872807
Energy: 0.668987561769154
Energy: 0.6350549252241453
Energy: 0.6604733459639598
Energy: 0.6467390359869604
Energy: 0.6689875562038896
Energy: 0.665024436251176
Energy: 0.695229594216963
Energy: 0.6754983956569081
Energy: 0.6646061194911608
Energy: 0.6650244362502152
Energy: 0.695229594210878
Energy: 0.6754983957535977
Energy: 0.6586842903659019
Energy: 0.6379337514843004
Energy: 0.6872823342768076
Energy: 0.6379285308910467
Energy: 0.658684290567579
Energy: 0.6379337514839802
Energy: 0.6872823913972227
Energy: 0.6596208541909742
Energy: 0.6289007870356798
Energy: 0.7329954131886551
Energy: 0.6376037832767779
Energy: 0.6596208541916149
Energy: 0.6289007870356798
Energy: 0.7329954131211093
Energy: 0.6663852173044583
Energy: 0.6740446708387358
Energy: 0.6966063603103319
Energy: 0.6962252964160173
Energy: 0.6663852173044583
Energy: 0.6740446708396964
Energy: 0.6966062956556

minimum gb energy = 0.6289007870356798 eV
minimum distance =  2.53934856792504 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.6592132832907206
Energy: 0.6825067347229127
Energy: 0.6952979260767603
Energy: 0.6829636897274134
Energy: 0.6592132832922325
Energy: 0.6825067347244247
Energy: 0.6909035580538564
Energy: 0.6555465098294893
Energy: 0.6615218283743236
Energy: 0.6213829094066678
Energy: 0.6758691678983746
Energy: 0.6555465098287333
Energy: 0.6615218283747015
Energy: 0.6213829094062898
Energy: 0.659354491621899
Energy: 0.6246767969440182
Energy: 0.6604489962086967
Energy: 0.640363286528487
Energy: 0.6593544916226548
Energy: 0.62467679694553
Energy: 0.6587117640568038
Energy: 0.6513104018591682
Energy: 0.6614780759380727
Energy: 0.6488414338207388
Energy: 0.6827605492581158
Energy: 0.651310401861058
Energy: 0.6614780759384506
Energy: 0.6488414338188488
Energy: 0.6683236599072327
Energy: 0.6389738901553843
Energy: 0.6622080208878147
Energy: 0.6407686480455155
Energy: 0.6683236599072327
Energy: 0.6389738901534944
Energy: 0.6580897905672562
Energy: 0.6514368312329433
Energy: 0.6417942830213721
Energy: 0.6611788170619135
Energy: 0.7120692149121256
Energy: 0.6514368312336991
Energy: 0.6417942830213721
Energy: 0.6611788170630474
Energy: 0.7172820151287674
Energy: 0.639730124382863
Energy: 0.6552142995677841
Energy: 0.6401861378254411
Energy: 0.7172820151268776
Energy: 0.639730124382863
Energy: 0.6552142995666501
Energy: 0.6475330575354656
Energy: 0.663395662906229
Energy: 0.6823186916275844
Energy: 0.6633774323419521
Energy: 0.6475330575369775
Energy: 0.6633956629066071
Energy: 0.6823186916272065
Energy: 0.7160426113374564
Energy: 0.639393748564492
Energy: 0.6525637444316348
Energy: 0.6397838625373757
Energy: 0.7160426113389683
Energy: 0.6393937485641142
Energy: 0.6448459651848611
Energy: 0.6513245366281406
Energy: 0.7086661987988745
Energy: 0.6608586401479354
Energy: 0.6382401276146971
Energy: 0.6513245366270067
Energy: 0.7086661988007643
Energy: 0.6608586401483134
Energy: 0.6683002449382393
Energy: 0.6411047453109702
Energy: 0.667627489820152
Energy: 0.6390416416471713
Energy: 0.6683002449367276
Energy: 0.6411047453121042
Energy: 0.7071080051026781
Energy: 0.6513700789674722
Energy: 0.6826829249463685
Energy: 0.6219772625558018
Energy: 0.6614481390898008
Energy: 0.6513700789682283
Energy: 0.6826829249471243
Energy: 0.6219772625554236
Energy: 0.6593053677332763
Energy: 0.6404888496793718
Energy: 0.6689604946337434
Energy: 0.6247227348778757
Energy: 0.659305367736678
Energy: 0.6404888496816397
Energy: 0.6624420209581732
Energy: 0.65570116607443
Energy: 0.6622853548650077
Energy: 0.6216075980417607
Energy: 0.6614835639840222
Energy: 0.6557011660751859
Energy: 0.6622853548650077
Energy: 0.6216075980413828
Energy: 0.6592132832910985
Energy: 0.6825067347244247
Energy: 0.6851031615798354
Energy: 0.6829636897266574
Energy: 0.6592132832918546
Energy: 0.6825067347248027
Energy: 0.7006938206174265
Energy: 0.6555465098291113
Energy: 0.6615218283747015
Energy: 0.621382909405534
Energy: 0.675869167901742
Energy: 0.6555465098294893
Energy: 0.6615218283747015
Energy: 0.6213829094066678
Energy: 0.6593544916222769
Energy: 0.6246767969440182
Energy: 0.6587117640575596
Energy: 0.6403632865258413
Energy: 0.6593544916226548
Energy: 0.624676796945152
Energy: 0.6587117640568038
Energy: 0.6513104018599242
Energy: 0.6614780759376948
Energy: 0.6488414338203607
Energy: 0.6827605492577379
Energy: 0.651310401861058
Energy: 0.6614780759380727
Energy: 0.6488414338180929
Energy: 0.6683236599072327
Energy: 0.6389738901553843
Energy: 0.6580897905687683
Energy: 0.6407686480451374
Energy: 0.6683236599068547
Energy: 0.6389738901534944
Energy: 0.6580897905672562
Energy: 0.6514368312329433
Energy: 0.6417942830213721
Energy: 0.6611788170611574
Energy: 0.7120692149060782
Energy: 0.6514368312344553
Energy: 0.641794283020616
Energy: 0.6611788170600237
Energy: 0.7172820151287674
Energy: 0.6397301243824851
Energy: 0.6405867451644445
Energy: 0.6401861378265751
Energy: 0.7172820151272556
Energy: 0.639730124382863
Energy: 0.6405867451652003
Energy: 0.6475330575347097
Energy: 0.6633956629069849
Energy: 0.6823186916275844
Energy: 0.6633774323415741
Energy: 0.6475330575369775
Energy: 0.6633956629066071
Energy: 0.6823186916275844
Energy: 0.7160426113382122
Energy: 0.639393748564492
Energy: 0.6447004996132509
Energy: 0.6397838625381317
Energy: 0.7160426113393462
Energy: 0.6393937485622243
Energy: 0.644700499614763
Energy: 0.6513245366273847
Energy: 0.7086661988000084
Energy: 0.6608586401426438
Energy: 0.6382401276143189
Energy: 0.6513245366273847
Energy: 0.7086661987973626
Energy: 0.6608586401441557
Energy: 0.6683002449393732
Energy: 0.6411047453098364
Energy: 0.6617663079841393
Energy: 0.6390416416467931
Energy: 0.6683002449371054
Energy: 0.6411047453121042
Energy: 0.6617663079841393
Energy: 0.6513700789678503
Energy: 0.6826829249456469
Energy: 0.6219772625546678
Energy: 0.6614481390894229
Energy: 0.6513700789678503
Energy: 0.6826829249463685
Energy: 0.6219772625546678
Energy: 0.6593053677344103
Energy: 0.6404888496805057
Energy: 0.6624884462162288
Energy: 0.6247227348786317
Energy: 0.659305367735922
Energy: 0.6404888496808837
Energy: 0.6624884462158509
Energy: 0.6557011660740519
Energy: 0.6622853548653858
Energy: 0.6216075980417607
Energy: 0.6614835639840222
Energy: 0.6557011660751859
Energy: 0.6622853548650077
Energy: 0.6216075980413828
Energy: 0.6592132832910985
Energy: 0.6825067347248027
Energy: 0.6722476888577623
Energy: 0.6829636897266574
Energy: 0.6592132832922325
Energy: 0.6825067347244247
Energy: 0.6722476888588962
Energy: 0.6555465098294893
Energy: 0.6615218283743236
Energy: 0.621382909405912
Energy: 0.675869167901742
Energy: 0.6555465098287333
Energy: 0.6615218283747015
Energy: 0.6213829094062898

minimum gb energy = 0.621382909405534 eV
minimum distance =  2.62042422189031 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.6702653873743865
Energy: 0.7292570985603949
Energy: 0.6779126217906156
Energy: 0.7289337071228339
Energy: 0.6702653873739276
Energy: 0.7292570985608536
Energy: 0.6649224520699917
Energy: 0.6754191008419967
Energy: 0.6676761640518488
Energy: 0.6442926011975826
Energy: 0.6675605135102783
Energy: 0.6754191008424555
Energy: 0.6676761640513899
Energy: 0.6442926116255595
Energy: 0.6743794360067329
Energy: 0.6638898458344781
Energy: 0.6778274447709851
Energy: 0.6678215942366414
Energy: 0.6743794360058152
Energy: 0.6638898458344781
Energy: 0.677827582891541
Energy: 0.7082574558253055
Energy: 0.6560506850186825
Energy: 0.6662011489393795
Energy: 0.6553123627629539
Energy: 0.708257455978036
Energy: 0.6560506850191413
Energy: 0.6662011489393795
Energy: 0.6547722544074401
Energy: 0.7368051408141075
Energy: 0.6505166233315453
Energy: 0.676084012505233
Energy: 0.6547722544074401
Energy: 0.7368051408131899
Energy: 0.6505166233320041
Energy: 0.7073051745664993
Energy: 0.6915197718496093
Energy: 0.7169027567814804
Energy: 0.6614926705863583
Energy: 0.7073051745706288
Energy: 0.6915197718486915
Energy: 0.7169027567819393
Energy: 0.6537326128467713
Energy: 0.7441207614699937
Energy: 0.6593740563843102
Energy: 0.6655228249555925
Energy: 0.6537326128476889
Energy: 0.744120761469535
Energy: 0.6495016120946004
Energy: 0.6673903403384532
Energy: 0.6748916765514391
Energy: 0.7214066273265695
Energy: 0.6590816852065485
Energy: 0.6673903403393711
Energy: 0.6748916765514391
Energy: 0.7214066273261106
Energy: 0.6535363478294984
Energy: 0.6622502282790851
Energy: 0.6626789266856828
Energy: 0.7109789353219917
Energy: 0.6535363478290397
Energy: 0.6622502282790851
Energy: 0.6626789266875182
Energy: 0.6498083288253731
Energy: 0.6704257324479205
Energy: 0.6537564799979091
Energy: 0.6585931161248784
Energy: 0.6498083288244554
Energy: 0.6704257324492969
Energy: 0.6537564799969915
Energy: 0.7317958489163643
Energy: 0.7049733445800195
Energy: 0.6685906467668268
Energy: 0.6603226941606355
Energy: 0.7317958477381509
Energy: 0.7049733445804782
Energy: 0.6631706702210419
Energy: 0.6822429084991773
Energy: 0.6500394340302448
Energy: 0.6493062780655058
Energy: 0.6503350994075281
Energy: 0.6822429084991773
Energy: 0.6500394340302448
Energy: 0.6493062780659645
Energy: 0.7067431538848714
Energy: 0.6500833833371252
Energy: 0.6552838267910873
Energy: 0.6584977510693341
Energy: 0.7067431539087309
Energy: 0.6500833833366664
Energy: 0.6552838267897108
Energy: 0.6334155536204391
Energy: 0.6507417044618593
Energy: 0.6522722693172426
Energy: 0.6336252963238072
Energy: 0.6334155536204391
Energy: 0.6507417044614006
Energy: 0.6522722693172426
Energy: 0.6966811307889998
Energy: 0.6420985847231857
Energy: 0.6420100746038453
Energy: 0.655435482488868
Energy: 0.6966811307889998
Energy: 0.6420985847236446
Energy: 0.642010074604763
Energy: 0.6295013494728711
Energy: 0.6916663803745213
Energy: 0.6521355265990812
Energy: 0.6428597687538575
Energy: 0.6295013494724123
Energy: 0.6916663803736036
Energy: 0.6521355265990812
Energy: 0.6970926914715089
Energy: 0.6423613912501769
Energy: 0.6507529036119081
Energy: 0.6553813552348439
Energy: 0.6970926914719678
Energy: 0.642361391250636
Energy: 0.6507529036123668
Energy: 0.629501790668822
Energy: 0.6716983215892239
Energy: 0.6584834053114306
Energy: 0.7106067082127074
Energy: 0.6295017906683631
Energy: 0.6716983215883063
Energy: 0.6584834053114306
Energy: 0.6778502422076391
Energy: 0.64239652001388
Energy: 0.7051402236242769
Energy: 0.6496525588828078
Energy: 0.6778502422076391
Energy: 0.64239652001388
Energy: 0.7051402236256534
Energy: 0.6297297009002333
Energy: 0.6912759571067876
Energy: 0.6424584754319623
Energy: 0.6911711544084961
Energy: 0.6297297008988567
Energy: 0.6912759571072464
Energy: 0.6424584754315035
Energy: 0.6778519152351441
Energy: 0.6491954740960038
Energy: 0.7049367490731167
Energy: 0.6422467963084518
Energy: 0.6778519152346852
Energy: 0.6491954740955449
Energy: 0.7049367490735756
Energy: 0.6294989086960555
Energy: 0.7037324891614954
Energy: 0.6582983145646369
Energy: 0.6717197812257167
Energy: 0.6294989086951378
Energy: 0.7037324891647072
Energy: 0.6582983145660134
Energy: 0.6968346554925398
Energy: 0.6553928898715216
Energy: 0.6506649955997408
Energy: 0.6423676291615605
Energy: 0.6968346554929986
Energy: 0.6553928898719804
Energy: 0.6506649955988231
Energy: 0.6295505962817756
Energy: 0.6428833699177107
Energy: 0.6523755513900111
Energy: 0.6917543266647962
Energy: 0.6295505962803991
Energy: 0.6428833699181695
Energy: 0.6523755513895523
Energy: 0.6972729553976391
Energy: 0.6595086134269385
Energy: 0.6453796169809769
Energy: 0.6421950429769976
Energy: 0.697272955398098
Energy: 0.6595086134264796
Energy: 0.6453796110719319

minimum gb energy = 0.6294989086951378 eV
minimum distance =  2.58088043597404 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.7224681758643349
Energy: 0.7120549491739524
Energy: 0.6832588699394765
Energy: 0.7095972965204875
Energy: 0.7224681759505631
Energy: 0.7120549491703673
Energy: 0.6832588699412456
Energy: 0.7092801168905921
Energy: 0.6872913438561556
Energy: 0.6667996315438708
Energy: 0.6994951260114382
Energy: 0.7092801168898472
Energy: 0.6872913438551314
Energy: 0.6667996315443829
Energy: 0.7149014313109509
Energy: 0.6941729347149463
Energy: 0.6972128337085196
Energy: 0.6911047420363589
Energy: 0.7149014313222184
Energy: 0.6941729347111286
Energy: 0.7147570787207458
Energy: 0.6649619397940332
Energy: 0.6920496014476962
Energy: 0.7212199291141068
Energy: 0.6758714466927104
Energy: 0.6649619398173128
Energy: 0.6920496014441112
Energy: 0.721219929106471
Energy: 0.7049484470105918
Energy: 0.6473479218747809
Energy: 0.6744883122040527
Energy: 0.6696125893563543
Energy: 0.7049484470075188
Energy: 0.6473479238323776
Energy: 0.6744883122017713
Energy: 0.6547652200008796
Energy: 0.6966536473058881
Energy: 0.7476273487535622
Energy: 0.6494054249539754
Energy: 0.6547652199996226
Energy: 0.6966536473842013
Energy: 0.7476273487561229
Energy: 0.6843085346085092
Energy: 0.6483390149680509
Energy: 0.6735310936556199
Energy: 0.6601683441790842
Energy: 0.6843085346105576
Energy: 0.648339116981959
Energy: 0.685897620514088
Energy: 0.6532712439994053
Energy: 0.6935907893329147
Energy: 0.728202858412124
Energy: 0.6588711921229286
Energy: 0.6532671603112126
Energy: 0.6935907893359877
Energy: 0.7282028584100754
Energy: 0.6476481992783378
Energy: 0.6573886055953424
Energy: 0.7083186351402254
Energy: 0.6604253803346082
Energy: 0.6476477469240771
Energy: 0.6573886059370431
Energy: 0.7083186351292374
Energy: 0.6441290686085472
Energy: 0.6704887092867728
Energy: 0.705153378650853
Energy: 0.6600177807682733
Energy: 0.6441290686080352
Energy: 0.6704887092857487
Energy: 0.7051533786523896
Energy: 0.6919985961054372
Energy: 0.6889024655191345
Energy: 0.724214684643485
Energy: 0.6647289292405644
Energy: 0.6919985961039008
Energy: 0.6889024655160615
Energy: 0.724214684643485
Energy: 0.6540506147422953
Energy: 0.6687844224680111
Energy: 0.7271903151365877
Energy: 0.6626912488209245
Energy: 0.6540506143373668
Energy: 0.6687844133134702
Energy: 0.7271903549428244
Energy: 0.6903346989338442
Energy: 0.6678295320902177
Energy: 0.7195270818643882
Energy: 0.6727975373688332
Energy: 0.6903346989389657
Energy: 0.6678295320902177
Energy: 0.7089584183188717
Energy: 0.6921430705644562
Energy: 0.7101610999159815
Energy: 0.7471640091674137
Energy: 0.7039102989377163
Energy: 0.6921430701492847
Energy: 0.7101610999175181
Energy: 0.747164009167693
Energy: 0.6952734590462593
Energy: 0.6684808463371297
Energy: 0.7405731584053928
Energy: 0.6864807563569703
Energy: 0.6952734590472835
Energy: 0.6684808463355933
Energy: 0.7280333905139086
Energy: 0.6945659019386917
Energy: 0.6765660450756695
Energy: 0.7173886242639935
Energy: 0.6789218756297897
Energy: 0.6945659017735916
Energy: 0.6765660449085207
Energy: 0.7173886242634815
Energy: 0.7048658767828914
Energy: 0.665419964899156
Energy: 0.7444139917187701
Energy: 0.6680150325124752
Energy: 0.7048658767798184
Energy: 0.6654199649001804
Energy: 0.7444139917187701
Energy: 0.657094968908275
Energy: 0.6670613198755485
Energy: 0.7131917942024844
Energy: 0.6618903962476979
Energy: 0.6570949688199981
Energy: 0.6670613198049176
Energy: 0.7131917942045328
Energy: 0.7049958777521635
Energy: 0.6817107751582925
Energy: 0.7428817845388475
Energy: 0.6880762092615232
Energy: 0.7049958777437362
Energy: 0.6817107751605739
Energy: 0.7428817845373111
Energy: 0.6603555736066702
Energy: 0.675879835752856
Energy: 0.7107347860900685
Energy: 0.6410354917301928
Energy: 0.6603555744976805
Energy: 0.6758798339818234
Energy: 0.71073478609952
Energy: 0.6745316455127701
Energy: 0.6450005412520318
Energy: 0.7399391956618655
Energy: 0.6907003179530254
Energy: 0.6745316454090818
Energy: 0.6450005412520318
Energy: 0.7399391956593047
Energy: 0.6623112805229425
Energy: 0.6804229925473647
Energy: 0.6878388581188686
Energy: 0.6531089973964135
Energy: 0.6623112805162845
Energy: 0.6804229914042343
Energy: 0.6878388581219415
Energy: 0.6747135997841412
Energy: 0.6507558883784175
Energy: 0.7466244182970653
Energy: 0.6958252236306224
Energy: 0.6747135993884315
Energy: 0.650755888376881
Energy: 0.7466245757486049
Energy: 0.6797061803198494
Energy: 0.6745305303375712
Energy: 0.7001786550037117
Energy: 0.667439517476629
Energy: 0.6797061803237139
Energy: 0.6745305303365468
Energy: 0.7001786550031996
Energy: 0.6702852055205668
Energy: 0.6733424200053336
Energy: 0.671082528125707
Energy: 0.722093378660365
Energy: 0.6702855453098248
Energy: 0.6733424200071029
Energy: 0.6710825224082394
Energy: 0.673223647684425
Energy: 0.7056464442048428
Energy: 0.7159881999120147
Energy: 0.671635610436495
Energy: 0.6732236476846578
Energy: 0.7056464442297056
Energy: 0.7159881999115026
Energy: 0.7039838159562217
Energy: 0.6697354907776962
Energy: 0.6578379990892161
Energy: 0.7390492166908855
Energy: 0.7039838358333365
Energy: 0.6697354907830971
Energy: 0.6578379990935461
Energy: 0.6826226052238628
Energy: 0.7275035561515982
Energy: 0.7204567456369388
Energy: 0.7092975145616464
Energy: 0.6826226052228384
Energy: 0.7275035561515982
Energy: 0.7204567456389873
Energy: 0.7246629673833161
Energy: 0.6701217383890303
Energy: 0.7020308001362702
Energy: 0.7368779303285753
Energy: 0.7246629674158147
Energy: 0.6701217383872144
Energy: 0.7020308001380395
Energy: 0.6705571649385571
Energy: 0.6984901632786018
Energy: 0.7058630255734849
Energy: 0.7059435526343784
Energy: 0.6705571649395813
Energy: 0.6984901639725255
Energy: 0.7058630253743031
Energy: 0.694912916018856
Energy: 0.6737179636855283
Energy: 0.7167043843640669
Energy: 0.7167194607574852
Energy: 0.6949129160216495
Energy: 0.6737179636845041
Energy: 0.7167043843381798
Energy: 0.6677958397623232
Energy: 0.6456179390420739
Energy: 0.6766948933909721
Energy: 0.6742972592998386
Energy: 0.6677958397495659
Energy: 0.6456179390425861
Energy: 0.6766948933904601
Energy: 0.6484933543205523
Energy: 0.6664579066875669
Energy: 0.7432393913485054
Energy: 0.6829667284450253
Energy: 0.6486446817963935
Energy: 0.6664579066834695
Energy: 0.7432393913457117
Energy: 0.6537333398723029
Energy: 0.6542218093000288
Energy: 0.6696240623138642
Energy: 0.651423860844414
Energy: 0.6537333398745844
Energy: 0.6542218093025897
Energy: 0.6696240622646974
Energy: 0.6499129582531931
Energy: 0.6439176510262078
Energy: 0.7296224167181639
Energy: 0.6848985385943908
Energy: 0.6499129582526809
Energy: 0.6439176510292807
Energy: 0.7296224167184433
Energy: 0.6462392343346757
Energy: 0.6543633759523192
Energy: 0.6654745249429648
Energy: 0.6486939454952898
Energy: 0.6462392343344427
Energy: 0.6543633759505499
Energy: 0.6654745250678841
Energy: 0.6473206210811663
Energy: 0.6550329259598501
Energy: 0.7065998937269836
Energy: 0.6847704198721175
Energy: 0.6473206210811663
Energy: 0.6550329259511435
Energy: 0.7065998937295443
Energy: 0.6600617636364153
Energy: 0.6473883700427555
Energy: 0.6928974346238639
Energy: 0.663331214582658
Energy: 0.6600617636418162
Energy: 0.6473883700475976
Energy: 0.6928974346238639
Energy: 0.6640543144652294
Energy: 0.6665060590294276
Energy: 0.7444045027353603
Energy: 0.6849191062012472
Energy: 0.6640543144695595
Energy: 0.6665060590524747
Energy: 0.7444045027353603
Energy: 0.6674073101716714
Energy: 0.6772432400958077
Energy: 0.7057122770074039
Energy: 0.6763008298474863
Energy: 0.6674073122214562
Energy: 0.6772432756750414
Energy: 0.7057122770094525
Energy: 0.6866652308756093
Energy: 0.6662169509556303
Energy: 0.7349165160566233
Energy: 0.6962268911977727
Energy: 0.6866623950662119
Energy: 0.6662169509551182
Energy: 0.7349165160611861
Energy: 0.6683788090805577
Energy: 0.6686917300237725
Energy: 0.748279745502501
Energy: 0.7020926790042213
Energy: 0.6683788090795335
Energy: 0.6686917300278697
Energy: 0.7482797455329974
Energy: 0.676059611630063
Energy: 0.666877292497384
Energy: 0.724165865108138
Energy: 0.6975796598658554
Energy: 0.6760596233839311
Energy: 0.666877292496127
Energy: 0.724165865105065
Energy: 0.6821138487079839
Energy: 0.6721769475790179
Energy: 0.7496901839043105
Energy: 0.6653293992643934
Energy: 0.6821138487067268
Energy: 0.6721769495909031
Energy: 0.749690183906592
Energy: 0.6757311223923627
Energy: 0.6732857541129773
Energy: 0.7094000874706072
Energy: 0.6754331715395913
Energy: 0.6757311223829109
Energy: 0.6732857541076229
Energy: 0.7094000874708867

minimum gb energy = 0.6410354917301928 eV
minimum distance =  2.51856313231649 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.6800288431883748
Energy: 0.5225463190462838
Energy: 0.5867626339266151
Energy: 0.5225463190451289
Energy: 0.6800288431877973
Energy: 0.5225463190457064
Energy: 0.5922905617487024
Energy: 0.6800288431883748
Energy: 0.5225463190468611
Energy: 0.6605305178076983
Energy: 0.5225463190457064
Energy: 0.6800288431877973
Energy: 0.5225463190457064
Energy: 0.5922905617492797
Energy: 0.6800288431883748
Energy: 0.5225463190457064
Energy: 0.6258640405458328
Energy: 0.5225463190457064
Energy: 0.6800288431883748
Energy: 0.5225463190457064
Energy: 0.6160095303575611
Energy: 0.6800288431883748
Energy: 0.5225463190457064
Energy: 0.6066644773910672
Energy: 0.5225463190451289
Energy: 0.6800288431883748
Energy: 0.5225463190451289
Energy: 0.5922905617487024
Energy: 0.6800288431877973
Energy: 0.5225463190457064
Energy: 0.6605305178036568
Energy: 0.5225463190451289
Energy: 0.68002884318722
Energy: 0.5225463190451289
Energy: 0.5922905617492797
Energy: 0.6800288431883748
Energy: 0.5225463190457064
Energy: 0.6168505480144512
Energy: 0.5225463190451289
Energy: 0.6800288431877973
Energy: 0.5225463190451289
Energy: 0.5922905617492797
Energy: 0.6800288431877973
Energy: 0.5225463190457064
Energy: 0.5922905617492797
Energy: 0.5225463190445516
Energy: 0.6800288431883748
Energy: 0.5225463190451289
Energy: 0.5922905617492797
Energy: 0.6800288431877973
Energy: 0.5225463190462838
Energy: 0.6264578934848914
Energy: 0.5225463190457064
Energy: 0.6800288431877973
Energy: 0.5225463190451289
Energy: 0.6264578934854689
Energy: 0.6800288431877973
Energy: 0.5225463190445516
Energy: 0.5922767770415748
Energy: 0.5225463190457064
Energy: 0.6800288431877973
Energy: 0.5225463190445516
Energy: 0.5922905617498571
Energy: 0.6800288431883748
Energy: 0.5225463190451289
Energy: 0.5922905617492797
Energy: 0.5225463190457064
Energy: 0.68002884318722
Energy: 0.5225463190451289
Energy: 0.5922905617487024
Energy: 0.6800288431883748
Energy: 0.5225463190451289
Energy: 0.5922905617492797
Energy: 0.5225463190468611
Energy: 0.68002884318722
Energy: 0.5225463190457064
Energy: 0.5922905617492797
Energy: 0.6800288431877973
Energy: 0.5225463190457064
Energy: 0.5922905617498571
Energy: 0.5225463190457064
Energy: 0.6800288431883748
Energy: 0.5225463190439743
Energy: 0.5922905617498571
Energy: 0.6800288431877973
Energy: 0.5225463190457064
Energy: 0.5922905617498571
Energy: 0.5225463190457064
Energy: 0.6800288431877973
Energy: 0.5225463190451289
Energy: 0.5922905617481251
Energy: 0.6800288431877973
Energy: 0.5225463190457064
Energy: 0.5922905617492797
Energy: 0.5225463190468611
Energy: 0.6800288431877973
Energy: 0.5225463190457064
Energy: 0.5922905617498571
Energy: 0.68002884318722
Energy: 0.5225463190457064
Energy: 0.5922905617492797
Energy: 0.5225463190457064
Energy: 0.6800288431877973
Energy: 0.5225463190445516
Energy: 0.5922905617498571
Energy: 0.6800288431883748
Energy: 0.5225463190457064
Energy: 0.5922905617487024
Energy: 0.5225463190451289
Energy: 0.6800288431883748
Energy: 0.5225463190451289
Energy: 0.5922905617475477
Energy: 0.6800288431883748
Energy: 0.5225463190457064
Energy: 0.5922905617498571
Energy: 0.5225463190457064
Energy: 0.6800288431877973
Energy: 0.5225463190457064
Energy: 0.5922905617492797
Energy: 0.6800288431877973
Energy: 0.5225463190451289
Energy: 0.5922905617487024
Energy: 0.5225463190457064
Energy: 0.6800288431883748
Energy: 0.5225463190439743
Energy: 0.5922905617487024
Energy: 0.68002884318722
Energy: 0.5225463190468611
Energy: 0.5922905617492797
Energy: 0.5225463190468611
Energy: 0.6800288431883748
Energy: 0.5225463190457064
Energy: 0.5922905617487024
Energy: 0.6800288431877973
Energy: 0.5225463190451289
Energy: 0.5922905617492797
Energy: 0.5225463190474384
Energy: 0.6800288431877973
Energy: 0.5225463190457064
Energy: 0.5922905617487024

minimum gb energy = 0.5225463190439743 eV
minimum distance =  2.66207210380266 Angstroms
sigma value = 23