Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_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=4.044650822877884
cohesive_energy=3.3602642529232347
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: 0.012707190822876016
Energy: 0.2842206060497627
Energy: 0.7190494160940712
Energy: 0.28418614177046253
Energy: 0.012707190823080562
Energy: 0.28422060604937627
Energy: 0.3979535100973155
Energy: 0.3973251476013962
Energy: 0.01313695743514785
Energy: 0.11423800201464687
Energy: 0.013157679241368408
Energy: 0.3973251476013962
Energy: 0.013136957434943298
Energy: 0.11423800201485142
Energy: 0.012707190822876016
Energy: 0.2842206060495808
Energy: 0.7190494160940712
Energy: 0.28418614177046253
Energy: 0.012707190823080562
Energy: 0.2842206060495808
Energy: 0.3979535100973155
Energy: 0.39732514760119164
Energy: 0.01313695743514785
Energy: 0.11423800201464687
Energy: 0.013157679241368408
Energy: 0.39732514760157805
Energy: 0.013136957435352396
Energy: 0.11423800201485142
Energy: 0.012707190822876016
Energy: 0.28422060604937627
Energy: 0.7682499939693952
Energy: 0.284186141770258
Energy: 0.012707190823080562
Energy: 0.2842206060495808
Energy: 0.3979535100971109
Energy: 0.3973251476013962
Energy: 0.013136957435352396
Energy: 0.11423800201444231
Energy: 0.013157679241368408
Energy: 0.3973251476013962
Energy: 0.013136957435352396
Energy: 0.11423800201503324

minimum gb energy = 0.012707190822876016 eV
minimum distance =  2.83321140880549 Angstroms
sigma value = 5


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

Energy: 0.6661540761792281
Energy: 0.6868090514207091
Energy: 0.7044630749674458
Energy: 0.686400475037546
Energy: 0.6661540761890018
Energy: 0.6868090514231526
Energy: 0.6881951438656386
Energy: 0.6416857500349908
Energy: 0.6289207307921424
Energy: 0.672311069630811
Energy: 0.634554979832713
Energy: 0.6416857500374344
Energy: 0.6289207307921424
Energy: 0.6723110696332102
Energy: 0.6242000080489591
Energy: 0.6331394850803918
Energy: 0.7170215058503135
Energy: 0.6455166312869728
Energy: 0.6242000080514025
Energy: 0.6331394850755048
Energy: 0.7170215058454267
Energy: 0.6573807626675393
Energy: 0.6535119904292539
Energy: 0.6589220881057932
Energy: 0.627497428676168
Energy: 0.6573807626675393
Energy: 0.6535119904268104
Energy: 0.6589220881057932
Energy: 0.6253715389747826
Energy: 0.6244976765106782
Energy: 0.6898901816259044
Energy: 0.65047302386121
Energy: 0.6253715389747826
Energy: 0.6244976765131216
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Energy: 0.651145738276417
Energy: 0.6602462065110011
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Energy: 0.6269516731843717
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Energy: 0.653616088022978
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Energy: 0.6768792807984628
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Energy: 0.6298751977710636
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Energy: 0.6414000537284922
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Energy: 0.6973970434658021
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Energy: 0.6379469090608985
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Energy: 0.6493768632355166
Energy: 0.7217701563935663
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Energy: 0.6352060956230055
Energy: 0.668785950291902
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Energy: 0.6499612709020062
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Energy: 0.7025858777771586
Energy: 0.6448724647223796
Energy: 0.6394216459718679
Energy: 0.6529357049604396
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Energy: 0.6394216459694688
Energy: 0.6529357049579962
Energy: 0.6271502638645211
Energy: 0.630404341022886
Energy: 0.7013328404679149
Energy: 0.6467257841199497
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Energy: 0.6169074796982522
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Energy: 0.6531930915289679
Energy: 0.6997489535785191
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Energy: 0.6531930915289679
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Energy: 0.6498208225997357
Energy: 0.6295522662236955
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Energy: 0.6720918746579191
Energy: 0.6498208226046225
Energy: 0.6295522662261391
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Energy: 0.6534849957794073
Energy: 0.6336107061581367
Energy: 0.717080187202641
Energy: 0.6559015548747117
Energy: 0.6534849957794073
Energy: 0.6336107061605802
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Energy: 0.6381014291742627
Energy: 0.6511416881249024
Energy: 0.7079869456310203
Energy: 0.6510574395764757
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Energy: 0.7079869456310203
Energy: 0.6388991673848743
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Energy: 0.7294804305979585
Energy: 0.630563162817079
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Energy: 0.6413239133133845
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Energy: 0.6171585903748242
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Energy: 0.6205018797980999
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Energy: 0.7017267474383435
Energy: 0.6473160617842639
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Energy: 0.6440133059789672
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Energy: 0.7003978770027168
Energy: 0.6373085553839943
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Energy: 0.6770276908476849
Energy: 0.7177895838674926
Energy: 0.6627418411754387
Energy: 0.6521183763593175
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Energy: 0.7177895838723795
Energy: 0.6433796211693896
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Energy: 0.6635678256733737
Energy: 0.6574808692523704
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Energy: 0.6303098569272443
Energy: 0.6635678256709303
Energy: 0.6505882138016834
Energy: 0.6331398882375314
Energy: 0.7218075265481656
Energy: 0.6290201712881642
Energy: 0.6505882137967967
Energy: 0.633139888235088
Energy: 0.7218075265506091
Energy: 0.6905638131811231
Energy: 0.637911366194661
Energy: 0.6857397653987536
Energy: 0.6543155607124415
Energy: 0.6905638131835665
Energy: 0.637911366194661
Energy: 0.6857397653987536
Energy: 0.6418016514741784
Energy: 0.6502528373628866
Energy: 0.6984964933379689
Energy: 0.6573464258226489
Energy: 0.6418016514766219
Energy: 0.6502528373677734
Energy: 0.6984964933379689
Energy: 0.6246966372139202
Energy: 0.6429792703206242
Energy: 0.6978764232077906
Energy: 0.6354801516806967
Energy: 0.6246966372139202
Energy: 0.6429792703206242
Energy: 0.6978764232053473
Energy: 0.6212413222314347
Energy: 0.6566844866038908
Energy: 0.6811228833169005
Energy: 0.6726119854482089
Energy: 0.6212413222363216
Energy: 0.6566844866038908
Energy: 0.6811228833169005
Energy: 0.6194014576557151
Energy: 0.6558707573370659
Energy: 0.6625475717603054
Energy: 0.6205675709096795
Energy: 0.6194014576581586
Energy: 0.6558707573395094
Energy: 0.662547571757862

minimum gb energy = 0.6169074796982522 eV
minimum distance =  2.53521392192072 Angstroms
sigma value = 401


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

Energy: 0.6524469314725154
Energy: 0.6515863859571817
Energy: 0.7245645918619033
Energy: 0.6540841573314431
Energy: 0.6524469314722632
Energy: 0.6515863859563749
Energy: 0.6971135655946138
Energy: 0.6314467534092588
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Energy: 0.6480472560136634
Energy: 0.6443010193881362
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Energy: 0.6479277490238167
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Energy: 0.6428748293882217
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Energy: 0.642735359645215
Energy: 0.6650174837525995
Energy: 0.6748740005197227
Energy: 0.6337539691116455
Energy: 0.6427353596482911
Energy: 0.6650174837550704
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Energy: 0.6559664202804247
Energy: 0.675105656408082
Energy: 0.6338801566791609
Energy: 0.6405166767472755
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Energy: 0.6545223514283497
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Energy: 0.6478902631890946
Energy: 0.6536233985877563
Energy: 0.6449701473152345
Energy: 0.6510596896039763
Energy: 0.6478902631879851
Energy: 0.6536233985855375
Energy: 0.6342648755442905
Energy: 0.6338141411762683
Energy: 0.7066268043662208
Energy: 0.6367578169696736
Energy: 0.6342648755431811
Energy: 0.633814141178235
Energy: 0.7066268043645567
Energy: 0.6413991855449429
Energy: 0.6646581112724751
Energy: 0.685516267971779
Energy: 0.6351400292911322
Energy: 0.641399185543279
Energy: 0.6646581112738871
Energy: 0.6855162679726362
Energy: 0.6428959037723176
Energy: 0.6608062022319136
Energy: 0.6428180150080155
Energy: 0.6351985402970719
Energy: 0.6428959037725698
Energy: 0.6608062022319136
Energy: 0.6428180149961145
Energy: 0.6411158039209136
Energy: 0.6341404401943826
Energy: 0.6450822211420745
Energy: 0.6373947728108643
Energy: 0.6411158039203589
Energy: 0.6341404401952399
Energy: 0.6450822211439908
Energy: 0.6288850061896576
Energy: 0.6347452777643047
Energy: 0.644501162239874
Energy: 0.6362234198673897
Energy: 0.6288850061913218
Energy: 0.6347452777643047
Energy: 0.6445011622387646
Energy: 0.6213468092296319
Energy: 0.6515863859571817
Energy: 0.6971135655954207
Energy: 0.6540841573342165
Energy: 0.6213468092312961
Energy: 0.6515863859560722
Energy: 0.6971135655943113
Energy: 0.631446753409511
Energy: 0.625842961286417
Energy: 0.6479277490235644
Energy: 0.6507300209311393
Energy: 0.6314467534111751
Energy: 0.6258429612847528
Energy: 0.6479277490221526

minimum gb energy = 0.6213468092296319 eV
minimum distance =  2.54763392675128 Angstroms
sigma value = 311


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

Energy: 0.6741937806818012
Energy: 0.6547382617640224
Energy: 0.6851600770469594
Energy: 0.6525135651145424
Energy: 0.6741937806818012
Energy: 0.6547382617649831
Energy: 0.7406457880150592
Energy: 0.6803930926027747
Energy: 0.6397295624497935
Energy: 0.666405308426145
Energy: 0.6524786581437418
Energy: 0.6803930926024544
Energy: 0.6397295624497935
Energy: 0.6664053084267856
Energy: 0.651485417293789
Energy: 0.662264940374995
Energy: 0.6885069342271122
Energy: 0.6565413758009825
Energy: 0.6514854172944294
Energy: 0.6622649403740632
Energy: 0.7026471154173454
Energy: 0.658231222624087
Energy: 0.6417103748257493
Energy: 0.691807005917699
Energy: 0.6428037346284939
Energy: 0.6582312226250477
Energy: 0.641710374825109
Energy: 0.6918070059183393
Energy: 0.6710261850024656
Energy: 0.6521007390908213
Energy: 0.7009964462448962
Energy: 0.6569506105475159
Energy: 0.6710261850021454
Energy: 0.6521007390911416
Energy: 0.6976452409159156
Energy: 0.6596667344597585
Energy: 0.6423718214138893
Energy: 0.6651994425033174
Energy: 0.6406621426233579
Energy: 0.6596667344594382
Energy: 0.6423718214135691
Energy: 0.6651994425036376
Energy: 0.6550326672662005
Energy: 0.6973369549992645
Energy: 0.6690554506833531
Energy: 0.6634999388303559
Energy: 0.655032667266841
Energy: 0.6973369549983038
Energy: 0.6907571282094257
Energy: 0.6588819210128328
Energy: 0.6448565694786068
Energy: 0.6885098427470581
Energy: 0.6536980545004273
Energy: 0.6588819210131531
Energy: 0.6448565694779664
Energy: 0.6885098427470581
Energy: 0.646399804027864
Energy: 0.6289964720426748
Energy: 0.6961206375324696
Energy: 0.6446350428901015
Energy: 0.6463998040275437
Energy: 0.6289964720423545
Energy: 0.688629117986859
Energy: 0.6639393621740488
Energy: 0.6700714669872064
Energy: 0.7034732324445202
Energy: 0.6745209501941091
Energy: 0.6639393621734083
Energy: 0.6700714669868862
Energy: 0.7034732324441999
Energy: 0.6877039190324484
Energy: 0.6606694278134311
Energy: 0.7264330487140329
Energy: 0.6400770571914596
Energy: 0.687703919033089
Energy: 0.6606694278131107
Energy: 0.726433048715314
Energy: 0.6578115657009019
Energy: 0.7009570303681637
Energy: 0.6929214533391908
Energy: 0.6613091330113938
Energy: 0.6578115657005816
Energy: 0.7009570303678434
Energy: 0.6929214533385647
Energy: 0.6589774049541827
Energy: 0.6548350599183824
Energy: 0.6879509762062629
Energy: 0.6413914934272799
Energy: 0.6589774049545029
Energy: 0.6548350599177419
Energy: 0.6879509762059426
Energy: 0.6363034193483698
Energy: 0.6632684641805684
Energy: 0.6736478863874655
Energy: 0.6571927521986628
Energy: 0.6363034193483698
Energy: 0.6632684641805684
Energy: 0.6736478863871453
Energy: 0.6719571973801904
Energy: 0.6413490674122542
Energy: 0.6886121008001664
Energy: 0.6402591062880421
Energy: 0.6719571973805107
Energy: 0.6413490674116137
Energy: 0.6886121008001664
Energy: 0.6578313312424677
Energy: 0.6595109962759739
Energy: 0.6923763850947091
Energy: 0.6839262138289867
Energy: 0.6578313312424677
Energy: 0.6595109962756537
Energy: 0.6923763850956698
Energy: 0.6726090250020842
Energy: 0.6426359225662158
Energy: 0.7056452805010117
Energy: 0.6395729625220088
Energy: 0.6726090250020842
Energy: 0.6426359225662158
Energy: 0.7056452805006914
Energy: 0.6546305476679347
Energy: 0.7022982745016902
Energy: 0.6967605529209124
Energy: 0.6684826752247609
Energy: 0.6546305476685752
Energy: 0.70229827450137
Energy: 0.696760552920272
Energy: 0.646317243154846
Energy: 0.6464767366745814
Energy: 0.6865187143545077
Energy: 0.6487950242389516
Energy: 0.6463172431542055
Energy: 0.6464767366749016
Energy: 0.695015704091768
Energy: 0.6589243349824024
Energy: 0.6404878368400269
Energy: 0.6774342079705005
Energy: 0.6448540177524961
Energy: 0.6589243349827228
Energy: 0.640487836840347
Energy: 0.6774342079749694
Energy: 0.6621046959400245
Energy: 0.663570810126886
Energy: 0.6799941196223697
Energy: 0.6744737062885608
Energy: 0.6621046959397042
Energy: 0.6635708101275265
Energy: 0.679994119620448
Energy: 0.6685976266185865
Energy: 0.6394509453989087
Energy: 0.6665891728411395
Energy: 0.6322089349260379
Energy: 0.6685976266185865
Energy: 0.6394509453985885
Energy: 0.666589172840499
Energy: 0.6537556450023068
Energy: 0.6562103081933754
Energy: 0.6783659452113419
Energy: 0.6517995453242273
Energy: 0.653755645002627
Energy: 0.6562103081933754
Energy: 0.6783659452119823
Energy: 0.6463217066487312
Energy: 0.6397948980925381
Energy: 0.6870036856062907
Energy: 0.6416786528894367
Energy: 0.6463217066493718
Energy: 0.6397948980925381
Energy: 0.6870036856056501
Energy: 0.648964702028096
Energy: 0.6576042769762209
Energy: 0.6721146108239312
Energy: 0.6469340981472488
Energy: 0.6489647020264946
Energy: 0.6576042769762209
Energy: 0.6721146108239312
Energy: 0.6789667989269651
Energy: 0.6523863791901499
Energy: 0.6663269697292366
Energy: 0.649525049087762
Energy: 0.6789667989266448
Energy: 0.6523863791898296
Energy: 0.6663269697295569
Energy: 0.6685194957865241
Energy: 0.6545623194568811
Energy: 0.7182123221655706
Energy: 0.6546774071328039
Energy: 0.6685194957884456
Energy: 0.6545623194562407
Energy: 0.7157174903826816
Energy: 0.6793169968957039
Energy: 0.6424795749178706
Energy: 0.6666545613708098
Energy: 0.6561210367730878
Energy: 0.6793169968963445
Energy: 0.6424795749175504
Energy: 0.6666545613701693
Energy: 0.6526593301233059
Energy: 0.6656052081816585
Energy: 0.6882602400347372
Energy: 0.6380560254955212
Energy: 0.6526593301229856
Energy: 0.6656052081819787
Energy: 0.6882602400334562
Energy: 0.6448783734330534
Energy: 0.6491793381635111
Energy: 0.6866844824464
Energy: 0.63204998511378
Energy: 0.6448783734340142
Energy: 0.6491793381650832
Energy: 0.6866844824460797
Energy: 0.657316913799132
Energy: 0.6519682966607938
Energy: 0.700428862068556
Energy: 0.6572472437754385
Energy: 0.6573169137981714
Energy: 0.6519682966611142
Energy: 0.7025402642191586
Energy: 0.6622368316612803
Energy: 0.6326011331059778
Energy: 0.6667042842294552
Energy: 0.6447949568106534
Energy: 0.6622368316612803
Energy: 0.6326011331059778
Energy: 0.6667042842297753
Energy: 0.6706447320235918
Energy: 0.6958407903556991
Energy: 0.6789990130107293
Energy: 0.6507663938731533
Energy: 0.6706447320235918
Energy: 0.6958407903556991
Energy: 0.6987719613632258
Energy: 0.6606715067544351
Energy: 0.657096519082333
Energy: 0.6873047699628907
Energy: 0.6405400728326817
Energy: 0.6606715067547553
Energy: 0.657096519082333
Energy: 0.6873047699625705
Energy: 0.6464338632867002
Energy: 0.6559662072805212
Energy: 0.7226344175426167
Energy: 0.6375737052323269
Energy: 0.6464338632870203
Energy: 0.6559662072805212
Energy: 0.7226344175435775
Energy: 0.6639285352666789
Energy: 0.675616203208628
Energy: 0.6952455336000727
Energy: 0.6966354852463112
Energy: 0.6639285352666789
Energy: 0.6756162032083078
Energy: 0.6952455335994322

minimum gb energy = 0.6289964720423545 eV
minimum distance =  2.54505840874453 Angstroms
sigma value = 39


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

Energy: 0.6592989948819014
Energy: 0.6794119659319964
Energy: 0.691569965480643
Energy: 0.67942044569334
Energy: 0.6592989948803895
Energy: 0.6794119659323744
Energy: 0.671195306444747
Energy: 0.6555471144196344
Energy: 0.6615469203989672
Energy: 0.6217587842516205
Energy: 0.6622338673635276
Energy: 0.6555471144192564
Energy: 0.6615469203989672
Energy: 0.6217587842497306
Energy: 0.6593394707319341
Energy: 0.624739338195059
Energy: 0.6589637806822881
Energy: 0.6406505095419238
Energy: 0.6593394707330681
Energy: 0.6247393381946809
Energy: 0.6589637806822881
Energy: 0.6513410815465059
Energy: 0.6616790081673761
Energy: 0.6225213421842754
Energy: 0.6832773536670906
Energy: 0.6513410815479834
Energy: 0.6616790081647304
Energy: 0.6225213421854092
Energy: 0.6686323665332695
Energy: 0.6391151618294922
Energy: 0.6615655481284772
Energy: 0.6406573452674614
Energy: 0.6686323665313797
Energy: 0.6391151618298702
Energy: 0.663028859936514
Energy: 0.6472268789746377
Energy: 0.638566905444418
Energy: 0.6611955414194733
Energy: 0.6695407612300657
Energy: 0.6472268789753935
Energy: 0.63856690544404
Energy: 0.6611955414183395
Energy: 0.7148846833841859
Energy: 0.6398303160579771
Energy: 0.6369818255689208
Energy: 0.6401782583088395
Energy: 0.7148846833845638
Energy: 0.6398303160575992
Energy: 0.6407810951522399
Energy: 0.6475965235354962
Energy: 0.6641325290017086
Energy: 0.6823241442367274
Energy: 0.6641180010407073
Energy: 0.647596523538142
Energy: 0.6641325290024648
Energy: 0.6823241442371054
Energy: 0.7148937063829349
Energy: 0.640187528974016
Energy: 0.6564511250813428
Energy: 0.6398187285791298
Energy: 0.714893706381801
Energy: 0.6401875289762838
Energy: 0.6564511250824768
Energy: 0.6472139031633962
Energy: 0.6695640371984517
Energy: 0.6612003796807957
Energy: 0.6385600555233195
Energy: 0.6472139031645302
Energy: 0.6695640371965619
Energy: 0.6612003796811736
Energy: 0.6684845739818216
Energy: 0.6406604759171679
Energy: 0.6665511234317351
Energy: 0.6391462940203483
Energy: 0.6684845739821995
Energy: 0.6406604759175457
Energy: 0.6644666850169898
Energy: 0.6513221566199218
Energy: 0.6834964426715189
Energy: 0.62263894504375
Energy: 0.6615187730518612
Energy: 0.6513221566202999
Energy: 0.6834964426715189
Energy: 0.622638945043372
Energy: 0.6593282672048846
Energy: 0.6406965544079448
Energy: 0.6676747671669835
Energy: 0.6247953893322717
Energy: 0.6593282672067744
Energy: 0.6406965544090787
Energy: 0.6676747671666053
Energy: 0.6555982982141608
Energy: 0.6622673172419213
Energy: 0.6217487788682803
Energy: 0.661570910107729
Energy: 0.6555982982156728
Energy: 0.6622673172430553
Energy: 0.6217487788682803
Energy: 0.6592989948815233
Energy: 0.6794119659319964
Energy: 0.6755024874553256
Energy: 0.679420445693718
Energy: 0.6592989948807674
Energy: 0.6794119659319964
Energy: 0.6711953064417232
Energy: 0.6555471144200125
Energy: 0.6615469203989672
Energy: 0.6217587842512425
Energy: 0.6622338673646616
Energy: 0.6555471144188785
Energy: 0.661546920399345
Energy: 0.6217587842497306
Energy: 0.6593394707319341
Energy: 0.6247393381946809
Energy: 0.6589637806819101
Energy: 0.6406505095419238
Energy: 0.6593394707330681
Energy: 0.624739338195059
Energy: 0.6589637806811541
Energy: 0.6513410815461281
Energy: 0.6616790081669981
Energy: 0.6225213421846533
Energy: 0.6832773536670906
Energy: 0.6513410815479834
Energy: 0.6616790081643524
Energy: 0.6225213421861653
Energy: 0.6686323665328915
Energy: 0.6391151618291143
Energy: 0.6587857939242202
Energy: 0.6406573452667055
Energy: 0.6686323665306235
Energy: 0.6391151618287364
Energy: 0.6587857939272441
Energy: 0.6472268789742597
Energy: 0.638566905444418
Energy: 0.6611955414183395
Energy: 0.6695407612296876
Energy: 0.6472268789750156
Energy: 0.638566905444418
Energy: 0.6611955414194733
Energy: 0.7148846833841859
Energy: 0.6398303160575992
Energy: 0.640781095149594
Energy: 0.6401782583092175
Energy: 0.7148846833845638
Energy: 0.6398303160575992
Energy: 0.6407810951526178
Energy: 0.6475965235354962
Energy: 0.6641325290020866
Energy: 0.6823241442363496
Energy: 0.6641180010403294
Energy: 0.647596523538142
Energy: 0.6641325290028426
Energy: 0.6823241442367274
Energy: 0.7148937063825569
Energy: 0.640187528974016
Energy: 0.6437873398326756
Energy: 0.6398187285783737
Energy: 0.714893706381801
Energy: 0.6401875289759059
Energy: 0.6437873398353212
Energy: 0.6472139031626404
Energy: 0.6695640371976959
Energy: 0.6612003796811736
Energy: 0.6385600555229415
Energy: 0.6472139031645302
Energy: 0.6695640371958058
Energy: 0.6612003796826855
Energy: 0.6684845739829556
Energy: 0.640660475916412
Energy: 0.6613760275583355
Energy: 0.6391462940195921
Energy: 0.6684845739825775
Energy: 0.6406604759171679
Energy: 0.6613760275579573
Energy: 0.651322156619544
Energy: 0.6834964426718969
Energy: 0.622638945043372
Energy: 0.6615187730526172
Energy: 0.6513221566206778
Energy: 0.6834964426718969
Energy: 0.622638945044128
Energy: 0.6593282672056404
Energy: 0.6406965544083227
Energy: 0.6626560747755421
Energy: 0.6247953893329933
Energy: 0.6593282672071523
Energy: 0.6406965544094566
Energy: 0.6626560747713843
Energy: 0.6555982982145389
Energy: 0.6622673172422993
Energy: 0.6217487788682803
Energy: 0.661570910107729
Energy: 0.6555982982164287
Energy: 0.6622673172430553
Energy: 0.6217487788679024
Energy: 0.6592989948815233
Energy: 0.6794119659319964
Energy: 0.671195306444747
Energy: 0.679420445693718
Energy: 0.6592989948819014
Energy: 0.6794119659323744
Energy: 0.6711953064405893
Energy: 0.6555471144200125
Energy: 0.6615469203989672
Energy: 0.6217587842516205
Energy: 0.6622338673642836
Energy: 0.6555471144192564
Energy: 0.6615469203985892
Energy: 0.6217587842493526

minimum gb energy = 0.6217487788679024 eV
minimum distance =  2.62449135988359 Angstroms
sigma value = 21


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

Energy: 0.671445139350608
Energy: 0.7286144588396765
Energy: 0.6969274026170736
Energy: 0.7287993027067108
Energy: 0.671445139350608
Energy: 0.7286144588392176
Energy: 0.6514265802974966
Energy: 0.6757135139436852
Energy: 0.6680468564646511
Energy: 0.6443478740243673
Energy: 0.668003533369311
Energy: 0.6757135139441441
Energy: 0.6680468564646511
Energy: 0.6443478740243673
Energy: 0.6747546132932273
Energy: 0.6646005367462879
Energy: 0.6765628739053248
Energy: 0.666101974128997
Energy: 0.6747546132918507
Energy: 0.6646005367458291
Energy: 0.6765628739062424
Energy: 0.6620270703432167
Energy: 0.6693118658125702
Energy: 0.6512862380237904
Energy: 0.6547573330378902
Energy: 0.6620270703422989
Energy: 0.6693118658130291
Energy: 0.6512862380237904
Energy: 0.6548204315330283
Energy: 0.626874700049209
Energy: 0.6497523525485914
Energy: 0.6758225322046028
Energy: 0.6548204315321107
Energy: 0.626874700049209
Energy: 0.6497523525490503
Energy: 0.6621806929244988
Energy: 0.6355982765913682
Energy: 0.7170796416495282
Energy: 0.6616021790123664
Energy: 0.6621806929240398
Energy: 0.6355982765918271
Energy: 0.717079641649987
Energy: 0.6541803511911806
Energy: 0.6898925162332242
Energy: 0.649917176354438
Energy: 0.6659487840010102
Energy: 0.6541803511898039
Energy: 0.6898925162332242
Energy: 0.6499171763539793
Energy: 0.6682376269532503
Energy: 0.6461192978884516
Energy: 0.72190138192008
Energy: 0.658965821505925
Energy: 0.6682376269523326
Energy: 0.6461192978884516
Energy: 0.72190138192008
Energy: 0.6539956739061882
Energy: 0.6619623304837825
Energy: 0.6627514253283799
Energy: 0.7113988362418069
Energy: 0.6539956739066471
Energy: 0.6619623304828649
Energy: 0.6627514253283799
Energy: 0.6547043907589299
Energy: 0.6703287960056434
Energy: 0.6541799105247836
Energy: 0.6591711403515192
Energy: 0.6547043907589299
Energy: 0.6703287960056434
Energy: 0.6541799105252426
Energy: 0.6999464810835853
Energy: 0.704809926712372
Energy: 0.6633810031861903
Energy: 0.6510111896090128
Energy: 0.6999464810849617
Energy: 0.704809926712372
Energy: 0.663381003187108
Energy: 0.6300615571691184
Energy: 0.6488961771203676
Energy: 0.6488898856144962
Energy: 0.6503193767589225
Energy: 0.6300615571686595
Energy: 0.6488961771194499
Energy: 0.6488898856144962
Energy: 0.7090999722752285
Energy: 0.6508350315222693
Energy: 0.6559085740849554
Energy: 0.6577340162647228
Energy: 0.7090999722747696
Energy: 0.6508350315236457
Energy: 0.6559085740840378
Energy: 0.6336429093055155
Energy: 0.6488518562989276
Energy: 0.6527346633678267
Energy: 0.6335220252699055
Energy: 0.6336429093055155
Energy: 0.6488518562984688
Energy: 0.6527346633664501
Energy: 0.6982025074312282
Energy: 0.6423444237784042
Energy: 0.6560649674369721
Energy: 0.6572147838484728
Energy: 0.698202507432146
Energy: 0.6423444237770278
Energy: 0.6560649674369721
Energy: 0.6295710299008959
Energy: 0.6921264456067606
Energy: 0.6527411747867048
Energy: 0.6434014226225001
Energy: 0.6295710298999782
Energy: 0.6921264456072194
Energy: 0.6527411747880814
Energy: 0.6978003179306402
Energy: 0.6422815418000769
Energy: 0.6514871808322903
Energy: 0.6569046100659933
Energy: 0.6978003179306402
Energy: 0.6422815418000769
Energy: 0.6514871808332081
Energy: 0.6295281190052272
Energy: 0.6716534481525598
Energy: 0.6588335069568833
Energy: 0.6512246721706887
Energy: 0.6295281190061449
Energy: 0.6716534481525598
Energy: 0.658833506957342
Energy: 0.6779811865098604
Energy: 0.6422558480633527
Energy: 0.6751095882149533
Energy: 0.6482679203602761
Energy: 0.6779811865094016
Energy: 0.6422558480638116
Energy: 0.6751095882144943
Energy: 0.6298590549371074
Energy: 0.6913652731433749
Energy: 0.6430751996850353
Energy: 0.6914101498574627
Energy: 0.6298590549352721
Energy: 0.6913652731429162
Energy: 0.6430751996854942
Energy: 0.6779823583533786
Energy: 0.6485944629038203
Energy: 0.7047876762365611
Energy: 0.6423415515893234
Energy: 0.6779823583529199
Energy: 0.6485944629024437
Energy: 0.7047876762379376
Energy: 0.6295388222264798
Energy: 0.6512583659445847
Energy: 0.6590343094152111
Energy: 0.6717434138712282
Energy: 0.6295388222251033
Energy: 0.6512583659432082
Energy: 0.6590343094156699
Energy: 0.6977933586298617
Energy: 0.6569164858925399
Energy: 0.6514285627417551
Energy: 0.6422275633676835
Energy: 0.6977933586307794
Energy: 0.6569164858929987
Energy: 0.651428562742214
Energy: 0.6295628555325701
Energy: 0.6433528695411597
Energy: 0.6527934852136695
Energy: 0.6921463631970477
Energy: 0.6295628555330289
Energy: 0.6433528695407008
Energy: 0.6527934852136695
Energy: 0.6981351948325886
Energy: 0.6570437906899627
Energy: 0.6451341953925441
Energy: 0.6423312481809433
Energy: 0.6981351948330474
Energy: 0.6570437906899627
Energy: 0.7278063743742244

minimum gb energy = 0.626874700049209 eV
minimum distance =  2.51503685440694 Angstroms
sigma value = 113


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

Energy: 0.671713858742413
Energy: 0.7083065460946771
Energy: 0.6660913796501381
Energy: 0.7079679505569333
Energy: 0.6717138587406438
Energy: 0.7083065460951893
Energy: 0.6789632513330396
Energy: 0.7106494741406629
Energy: 0.6880276127639812
Energy: 0.6669734064239201
Energy: 0.6877927663074884
Energy: 0.7106494741408955
Energy: 0.6880276127631896
Energy: 0.6669734064251771
Energy: 0.6714899033433407
Energy: 0.6801929800705585
Energy: 0.7081215776142485
Energy: 0.681211486027763
Energy: 0.6714899033115871
Energy: 0.6801929800718622
Energy: 0.7081215776150401
Energy: 0.6500802239746017
Energy: 0.6881190274346073
Energy: 0.6936179630850026
Energy: 0.6760161147867788
Energy: 0.650080223972553
Energy: 0.6881190274371679
Energy: 0.6936179630816968
Energy: 0.6912779589901407
Energy: 0.6479160425875291
Energy: 0.675041981319296
Energy: 0.6545863239311225
Energy: 0.6912779589886042
Energy: 0.6479160425882741
Energy: 0.6750419813233933
Energy: 0.6533310401731464
Energy: 0.670829231210274
Energy: 0.7439530719362413
Energy: 0.6504008795630741
Energy: 0.6533310401746828
Energy: 0.6708292312074803
Energy: 0.7439530719359619
Energy: 0.6479208339544676
Energy: 0.6543118451199416
Energy: 0.6830008920345539
Energy: 0.6512933231863683
Energy: 0.6479208339567957
Energy: 0.6543118451194294
Energy: 0.6830008920366025
Energy: 0.6542621109551374
Energy: 0.6784020605654199
Energy: 0.7253803492168649
Energy: 0.6454628218760405
Energy: 0.6542621109505281
Energy: 0.6784020605677012
Energy: 0.7253803492114639
Energy: 0.6475555572263401
Energy: 0.6589692697351803
Energy: 0.7070958168484619
Energy: 0.6440017032848091
Energy: 0.6475555572245708
Energy: 0.6589692697331316
Energy: 0.7070958168453889
Energy: 0.6372901275337111
Energy: 0.6780491884595473
Energy: 0.6854750530751195
Energy: 0.669463168753969
Energy: 0.6372901275321746
Energy: 0.6780491884569865
Energy: 0.6854750530746072
Energy: 0.6480649083036072
Energy: 0.6718636309337817
Energy: 0.7195966774539349
Energy: 0.6597642895998492
Energy: 0.6480649083010466
Energy: 0.6718636309366218
Energy: 0.7195966774577994
Energy: 0.6373114706064275
Energy: 0.6619234125621225
Energy: 0.7227260230642809
Energy: 0.6625620878457488
Energy: 0.6373114706100126
Energy: 0.6619234125641246
Energy: 0.7227260230604631
Energy: 0.6672560523919036
Energy: 0.6656674753953025
Energy: 0.7095769659687852
Energy: 0.6656918785562698
Energy: 0.6672560523942315
Energy: 0.6656674753960474
Energy: 0.7095769659685526
Energy: 0.6706651034613655
Energy: 0.6829505185960959
Energy: 0.7497510339062247
Energy: 0.67821299500043
Energy: 0.6706651034603411
Energy: 0.6829505185989362
Energy: 0.7497510339046883
Energy: 0.6674143080404435
Energy: 0.6648474330575855
Energy: 0.7386054981002101
Energy: 0.6896887595760296
Energy: 0.6674143080409557
Energy: 0.6648474330545125
Energy: 0.7386054980986737
Energy: 0.6710953776120631
Energy: 0.6644002587829324
Energy: 0.7075281102221871
Energy: 0.6628833170648085
Energy: 0.6710953776143446
Energy: 0.6644002587836774
Energy: 0.7075281102255393
Energy: 0.7044304119868556
Energy: 0.6655996632878634
Energy: 0.7447248504523768
Energy: 0.6589968208763699
Energy: 0.7044304119868556
Energy: 0.6655996632896791
Energy: 0.7447248504518645
Energy: 0.6445202003204882
Energy: 0.6682927697731127
Energy: 0.7013154421932315
Energy: 0.6640455916554013
Energy: 0.6445202003192312
Energy: 0.6682927697726005
Energy: 0.7013154421924865
Energy: 0.7046249542276908
Energy: 0.6827681892093969
Energy: 0.6979399142749731
Energy: 0.6789900166748931
Energy: 0.704624954224618
Energy: 0.6827681892088847
Energy: 0.7080441512230106
Energy: 0.6327795817296777
Energy: 0.6867667639291992
Energy: 0.7056731941705806
Energy: 0.6313847540946823
Energy: 0.6327795817304227
Energy: 0.6867667639312478
Energy: 0.7056731941729085
Energy: 0.6473980883719279
Energy: 0.6506914724574163
Energy: 0.7143552313593781
Energy: 0.6985956263049725
Energy: 0.6473980883688549
Energy: 0.65069147245588
Energy: 0.7143552313590988
Energy: 0.6318878014403418
Energy: 0.6607817306998286
Energy: 0.6904363436667844
Energy: 0.6472971193504582
Energy: 0.6318878014395969
Energy: 0.6607817306980592
Energy: 0.6904363436647357
Energy: 0.654630360817394
Energy: 0.6324190022235219
Energy: 0.7321768209520617
Energy: 0.6959718467854215
Energy: 0.6546303608168819
Energy: 0.6324190022258034
Energy: 0.7321768209480111
Energy: 0.6711299658074752
Energy: 0.6641153802774816
Energy: 0.6865765449557294
Energy: 0.6474763627188164
Energy: 0.6711299658059389
Energy: 0.6641153802779939
Energy: 0.6865765449544259
Energy: 0.6564243008767818
Energy: 0.6737661723168665
Energy: 0.7051314241524061
Energy: 0.7208807571973863
Energy: 0.6564243008783184
Energy: 0.6737661723160749
Energy: 0.7051314241472845
Energy: 0.6771790336037056
Energy: 0.690908390273686
Energy: 0.7129002793478616
Energy: 0.6718534439114764
Energy: 0.6771790335977924
Energy: 0.6909083902769918
Energy: 0.7129002793534953
Energy: 0.697523299067689
Energy: 0.6698139494481254
Energy: 0.6687863665525869
Energy: 0.708920058214557
Energy: 0.6975232990682011
Energy: 0.6698139494440282
Energy: 0.6687863665523076
Energy: 0.6658131648088382
Energy: 0.726986247933213
Energy: 0.7196265963225112
Energy: 0.6980990317702085
Energy: 0.6658131648055324
Energy: 0.7269862479349822
Energy: 0.7196265963209749
Energy: 0.6969481754856881
Energy: 0.6703906284192741
Energy: 0.7092609817821219
Energy: 0.7060183241827791
Energy: 0.6969481754846637
Energy: 0.6703906284184825
Energy: 0.7092609817829133
Energy: 0.6650410679604745
Energy: 0.691776565568867
Energy: 0.693864611571813
Energy: 0.703527158449025
Energy: 0.6650410679625232
Energy: 0.6917765655683548
Energy: 0.6938646115687401
Energy: 0.6489456508592668
Energy: 0.6701620063554089
Energy: 0.7172450507475098
Energy: 0.723604576921558
Energy: 0.6489456508602911
Energy: 0.6701620063528481
Energy: 0.7172450507469975
Energy: 0.6651690126262066
Energy: 0.6470688207519195
Energy: 0.6691670301677543
Energy: 0.6659240086542344
Energy: 0.6651690126282553
Energy: 0.64706882075164
Energy: 0.6691670301641692
Energy: 0.6487182033067227
Energy: 0.6544704387634172
Energy: 0.7325784433361732
Energy: 0.6831888536123141
Energy: 0.6487182033064434
Energy: 0.6544704387595527
Energy: 0.7325784433371975
Energy: 0.6444118128891286
Energy: 0.6458709294564806
Energy: 0.6631973099497936
Energy: 0.6429052879716294
Energy: 0.6444118128881042
Energy: 0.6458709294582965
Energy: 0.6631973099480244
Energy: 0.6496115077270732
Energy: 0.6445426416054192
Energy: 0.7224002251823891
Energy: 0.6797830729247588
Energy: 0.6496115077306583
Energy: 0.6445426416090043
Energy: 0.7224002251849497
Energy: 0.6442589876681245
Energy: 0.6453561112817872
Energy: 0.6652937245143261
Energy: 0.6385247960699527
Energy: 0.6442589876683573
Energy: 0.6453561112843479
Energy: 0.665293724516887
Energy: 0.6476712891403202
Energy: 0.6409879177024205
Energy: 0.6884102472441129
Energy: 0.682413663039537
Energy: 0.6476712891377596
Energy: 0.640987917701629
Energy: 0.6884102472453701
Energy: 0.6525181117182338
Energy: 0.6475107435054962
Energy: 0.6841811289701716
Energy: 0.6387834800786186
Energy: 0.6525181117187461
Energy: 0.6475107435083364
Energy: 0.6841811289678902
Energy: 0.6475612048660495
Energy: 0.6665191944108518
Energy: 0.7445584278107378
Energy: 0.6796537317139174
Energy: 0.6475612048634887
Energy: 0.6665191944108518
Energy: 0.744558427810505
Energy: 0.6510475176081519
Energy: 0.6736954195174878
Energy: 0.7009491432851163
Energy: 0.6767204553321297
Energy: 0.6510475176078726
Energy: 0.6736954195172085
Energy: 0.700949143287677
Energy: 0.6962487776942419
Energy: 0.6668779065550158
Energy: 0.764040901017769
Energy: 0.6850513277397798
Energy: 0.6962487776939625
Energy: 0.6668779065550158
Energy: 0.7640409010136718
Energy: 0.6678426408951287
Energy: 0.6625021618915459
Energy: 0.7493487328627499
Energy: 0.7031182597771027
Energy: 0.6678426408935922
Energy: 0.662502161895131
Energy: 0.7493487328581405
Energy: 0.6711544942151023
Energy: 0.6669410890527862
Energy: 0.7208602709255658
Energy: 0.6858862403424055
Energy: 0.6711544942102601
Energy: 0.6669410890494804
Energy: 0.7208602709227258
Energy: 0.6882716154077883
Energy: 0.665613600931402
Energy: 0.7431704346262256
Energy: 0.6397163303143344
Energy: 0.6882716154095574
Energy: 0.6656136009341955
Energy: 0.7431704346257135
Energy: 0.6444814226993584
Energy: 0.6688125501313412
Energy: 0.717484729038555
Energy: 0.6775856842043081
Energy: 0.6444814226996377
Energy: 0.6688125501313412
Energy: 0.7174847290377634

minimum gb energy = 0.6313847540946823 eV
minimum distance =  2.52931717111123 Angstroms
sigma value = 365


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

Energy: 0.6800288778839341
Energy: 0.5225050388484527
Energy: 0.5449055329354701
Energy: 0.5225050388484527
Energy: 0.6800288778833566
Energy: 0.52250503884903
Energy: 0.6267668790312185
Energy: 0.6800288778845114
Energy: 0.52250503884903
Energy: 0.6648504228597021
Energy: 0.5225050388478754
Energy: 0.6800288778845114
Energy: 0.5225050388484527
Energy: 0.5924930258062266
Energy: 0.6800288778845114
Energy: 0.5225050388472979
Energy: 0.6162073398508088
Energy: 0.5225050388472979
Energy: 0.6800288778839341
Energy: 0.5225050388467205
Energy: 0.5924737077173553
Energy: 0.6800288778845114
Energy: 0.5225050388478754
Energy: 0.6141230711369481
Energy: 0.52250503884903
Energy: 0.6800288778833566
Energy: 0.52250503884903
Energy: 0.6266439794281092
Energy: 0.6800288778850888
Energy: 0.5225050388478754
Energy: 0.6560829917941889
Energy: 0.5225050388467205
Energy: 0.6800288778839341
Energy: 0.5225050388467205
Energy: 0.5924737077190874
Energy: 0.6800288778839341
Energy: 0.5225050388472979
Energy: 0.5924930258062266
Energy: 0.5225050388472979
Energy: 0.6800288778839341
Energy: 0.5225050388472979
Energy: 0.5922945826518082
Energy: 0.6800288778845114
Energy: 0.5225050388472979
Energy: 0.6266439793969317
Energy: 0.5225050388478754
Energy: 0.6800288778839341
Energy: 0.5225050388472979
Energy: 0.6266439793975092
Energy: 0.6800288778845114
Energy: 0.5225050388478754
Energy: 0.699382575976621
Energy: 0.5225050388455658
Energy: 0.6800288778839341
Energy: 0.5225050388472979
Energy: 0.5922945826771857
Energy: 0.6800288778845114
Energy: 0.5225050388467205
Energy: 0.5924930258056494
Energy: 0.5225050388467205
Energy: 0.6800288778845114
Energy: 0.5225050388478754
Energy: 0.5924737077185099
Energy: 0.6800288778856662
Energy: 0.5225050388484527
Energy: 0.6267668790346826
Energy: 0.5225050388478754
Energy: 0.6800288778839341
Energy: 0.5225050388484527
Energy: 0.6267668790329505
Energy: 0.6800288778833566
Energy: 0.5225050388478754
Energy: 0.5924737077179326
Energy: 0.5225050388461431
Energy: 0.6800288778845114
Energy: 0.5225050388472979
Energy: 0.5924737077196647
Energy: 0.6800288778845114
Energy: 0.5225050388484527
Energy: 0.5924930258068041
Energy: 0.5225050388472979
Energy: 0.6800288778845114
Energy: 0.5225050388484527
Energy: 0.5924930258056494
Energy: 0.6800288778839341
Energy: 0.5225050388467205
Energy: 0.5924930258062266
Energy: 0.5225050388472979
Energy: 0.6800288778839341
Energy: 0.5225050388472979
Energy: 0.5924930258062266
Energy: 0.6800288778845114
Energy: 0.5225050388478754
Energy: 0.5924930258068041
Energy: 0.5225050388472979
Energy: 0.6800288778845114
Energy: 0.5225050388484527
Energy: 0.5924930258062266
Energy: 0.6800288778839341
Energy: 0.5225050388478754
Energy: 0.5924930258062266
Energy: 0.5225050388467205
Energy: 0.6800288778850888
Energy: 0.5225050388472979
Energy: 0.5924930258068041
Energy: 0.6800288778833566
Energy: 0.5225050388472979
Energy: 0.5924930258073815
Energy: 0.5225050388478754
Energy: 0.6800288778845114
Energy: 0.5225050388478754
Energy: 0.5924930258068041
Energy: 0.6800288778845114
Energy: 0.5225050388472979
Energy: 0.5924930258062266
Energy: 0.5225050388461431
Energy: 0.6800288778845114
Energy: 0.5225050388467205
Energy: 0.5924930258062266
Energy: 0.6800288778845114
Energy: 0.5225050388472979
Energy: 0.5924930258062266
Energy: 0.5225050388472979
Energy: 0.6800288778845114
Energy: 0.5225050388478754
Energy: 0.5924930258068041
Energy: 0.6800288778845114
Energy: 0.5225050388467205
Energy: 0.5924930258056494
Energy: 0.5225050388478754
Energy: 0.6800288778839341
Energy: 0.5225050388478754
Energy: 0.5924930258062266
Energy: 0.6800288778845114
Energy: 0.5225050388472979
Energy: 0.5924930258062266
Energy: 0.5225050388461431
Energy: 0.6800288778850888
Energy: 0.5225050388472979
Energy: 0.5924930258062266

minimum gb energy = 0.5225050388455658 eV
minimum distance =  2.6615989897836 Angstroms
sigma value = 23