Model name: model_name=Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.619543239474297
cohesive_energy=3.471712825662978
mass=63.546
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: -0.08743899994521008
Energy: 1.610300738742897
Energy: 1.610300738742897
Energy: -0.0874389999437682
Energy: 1.610300738742897
Energy: 1.610300738741455
Energy: -0.0874389999437682
Energy: 1.610300738741455
Energy: 1.610300738742897
Energy: -0.0874389999437682
Energy: 1.6089573274264701
Energy: -0.08422776260088854
Energy: 0.2707916611698343
Energy: 1.6089573274293538
Energy: -0.08422776259944666
Energy: 0.2707916611712761
Energy: 1.6089573274293538
Energy: -0.08422776259944666
Energy: 0.2707916611712761
Energy: 1.6089573274293538
Energy: 0.6234673299538701
Energy: 0.6070091272137376
Energy: 0.5097369533218126
Energy: 0.6234673299409259
Energy: 0.0960695668336105
Energy: 0.755677410316005
Energy: 0.4326269294949514
Energy: -0.08689723607429489
Energy: 0.755677410316005
Energy: 0.4326267483910864
Energy: 1.6089573274279119
Energy: 0.2707916611712761
Energy: -0.08422776259944666
Energy: 1.6089573274293538
Energy: 0.27079166117271797
Energy: -0.08422776259800477
Energy: 1.6089573274293538
Energy: 0.27079166117271797
Energy: -0.08422776259944666
Energy: 1.6089573274307958
Energy: -0.08743899994521008
Energy: 1.610300738742897
Energy: 1.610300738742897
Energy: -0.0874389999437682
Energy: 1.610300738742897
Energy: 1.610300738741455
Energy: -0.0874389999437682
Energy: 1.610300738740013
Energy: 1.610300738741455
Energy: -0.0874389999437682
Energy: 1.6089573274279119
Energy: -0.08422776260233043
Energy: 0.2707916611712761
Energy: 1.6089573274293538
Energy: -0.08422776259944666
Energy: 0.27079166117271797
Energy: 1.6089573274307958
Energy: -0.08422776259944666
Energy: 0.27079166117415987
Energy: 1.6089573274293538
Energy: 0.4326264271378154
Energy: 0.6070091272137376
Energy: 0.5097369533203706
Energy: 0.4326263758136529
Energy: 0.2829228762631581
Energy: 0.7556774103174468
Energy: 0.43262760951132395
Energy: 0.09606956683505237
Energy: 0.7556774103188887
Energy: 0.43262719088617213

minimum gb energy = -0.08743899994521008 eV
minimum distance =  2.27345525626494 Angstroms
sigma value = 3


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

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Energy: 1.1101898374201429
Energy: 0.931117282251927
Energy: 0.6299293932864428
Energy: 1.1101898374169643
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Energy: 0.6395975983986775
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Energy: 0.6551397409475074
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Energy: 0.8270793031201087
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Energy: 0.8270793031208151
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Energy: 0.6299293932811773
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Energy: 0.9311172822480099
Energy: 0.6299293932868282
Energy: 1.1101898374144918
Energy: 0.9311172822550737
Energy: 0.6299293932896537
Energy: 1.1101898374212023
Energy: 0.9311172822540463
Energy: 0.6299293932868282
Energy: 0.7107344281434304
Energy: 0.6395975983993839
Energy: 0.8030033196754116
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Energy: 0.8030033196732925
Energy: 0.71073442813322
Energy: 0.6395975983934118
Energy: 0.8030033196662287
Energy: 0.7107344281370729
Energy: 0.7236841117318666
Energy: 0.9557535225172754
Energy: 0.8924676681907174
Energy: 0.719165984896583
Energy: 0.9557535225232475
Energy: 0.8924676681949557
Energy: 0.7236841117248672
Energy: 0.955753522526073
Energy: 0.8924676681889194
Energy: 0.7191659848930512
Energy: 0.9293275607548346
Energy: 0.7469683222322602
Energy: 0.6306815304073394
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Energy: 0.630681530409844
Energy: 0.9293275607527155
Energy: 0.7469683222379111
Energy: 0.630681530410165
Energy: 0.9293275607541281

minimum gb energy = 0.5761232577288641 eV
minimum distance =  2.16454415099386 Angstroms
sigma value = 75


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

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Energy: 0.7468381984852607
Energy: 0.7471112007195116
Energy: 0.8894922199065798
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minimum gb energy = 0.7438579561110571 eV
minimum distance =  2.1280433026075 Angstroms
sigma value = 105


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

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Energy: 0.9927380845809419
Energy: 0.952282656985653
Energy: 0.9102221873969001
Energy: 0.9927380845830982
Energy: 0.9522826569848752
Energy: 0.9142916216802753
Energy: 0.9927380845873757
Energy: 0.9535259381875448
Energy: 0.9440492484709001
Energy: 0.8970291333740984
Energy: 0.920212283595725
Energy: 0.9440315936854853
Energy: 0.8972882215260557
Energy: 0.9038502259187087
Energy: 0.9488383321392263
Energy: 0.8970291333731086
Energy: 0.8888558604709306
Energy: 1.1065691151440515
Energy: 0.9572249323848768
Energy: 0.9525894505037331
Energy: 1.0924614470521739
Energy: 0.9572249323809884
Energy: 0.9525894505021776
Energy: 1.1065691151376535
Energy: 0.9572249323782666
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Energy: 1.092461447057618
Energy: 0.9977197931647754
Energy: 0.9637680788836361
Energy: 0.9073615634254953
Energy: 0.976723044725602
Energy: 0.963768078891413
Energy: 0.8954390417287764
Energy: 0.997719793160887
Energy: 0.9637680788960793
Energy: 0.9073615634278281
Energy: 0.9767230447320356
Energy: 0.9686048834627838
Energy: 0.8542791269212875
Energy: 0.8834546435413769
Energy: 0.9686048834592843
Energy: 0.8542791269185657
Energy: 0.8834546435411647
Energy: 0.9686048834647282
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Energy: 0.8834546435433211
Energy: 0.9686048834680157
Energy: 1.0316770377914626
Energy: 0.9685171333990633
Energy: 0.9228668421010147
Energy: 1.031677037795351
Energy: 0.8813690271893652
Energy: 0.9238215013508848
Energy: 1.031677037798073
Energy: 0.9463365633694242
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Energy: 1.0316770377965176
Energy: 0.927696553021094
Energy: 1.012176296779467
Energy: 0.8546734609766022
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Energy: 1.0121762967808454
Energy: 0.8546734609799251
Energy: 0.9276965530156501
Energy: 1.0121762967767451
Energy: 0.8546734609791474
Energy: 0.9276965530230383
Energy: 0.8979888996748923
Energy: 1.0184440908445775
Energy: 1.0179532064712262
Energy: 0.8980091806911372
Energy: 1.0184440908449663
Energy: 1.0179532064712262
Energy: 0.8979888996741145
Energy: 1.018444090848077
Energy: 1.0179532064692818
Energy: 0.8980091806903596
Energy: 1.0657448627500934
Energy: 0.9069845695401358
Energy: 0.9486242205100504
Energy: 1.0657448627498813
Energy: 0.906984569547312
Energy: 0.948624220512949
Energy: 1.0657448627543706
Energy: 0.9069845695467111
Energy: 0.9486242205108282
Energy: 1.0657448627514365
Energy: 0.9474215224990291
Energy: 0.9803386046135529
Energy: 0.910400856589535
Energy: 0.9897517528741142
Energy: 0.9803386046141186
Energy: 0.9104008565889693
Energy: 0.9569727191089222
Energy: 0.9803386046143306
Energy: 0.9104008565909134
Energy: 0.9174111579316333
Energy: 0.9662659029205984
Energy: 0.9658932870165565
Energy: 0.8644332881641829
Energy: 0.9661489577557745
Energy: 0.9660554323552062
Energy: 0.86443328815934
Energy: 0.9662659029196087
Energy: 0.9658932870188897
Energy: 0.8644332881643949
Energy: 0.9661489577563754
Energy: 0.9779612624072065
Energy: 0.9486054769193255
Energy: 0.8833125595459057
Energy: 0.9779612624113071
Energy: 0.9486054769218354
Energy: 0.8833125595468603
Energy: 0.9779612624178821
Energy: 0.9486054769241684
Energy: 0.8833125595480268
Energy: 0.9779612624136046
Energy: 0.9653134136206684
Energy: 0.9414437895411004
Energy: 0.9788677266087925
Energy: 0.9653134136232135
Energy: 0.9414437895477109
Energy: 0.9788677266076258
Energy: 0.9653134136158257
Energy: 0.9414437895461555
Energy: 0.9788677266068482
Energy: 0.9653134136144822
Energy: 0.9677246976076084
Energy: 1.0054485722244035
Energy: 0.9596821959227858
Energy: 0.9728571045605791
Energy: 1.0054379034287992
Energy: 0.9500912224297359
Energy: 0.9728571045582459
Energy: 1.0054485722275142
Energy: 0.926704083597166
Energy: 0.9728571045590236
Energy: 0.9368885489664251
Energy: 1.0129157795432817
Energy: 0.8914249482039878
Energy: 0.9368885489613701
Energy: 1.0129157795471702
Energy: 0.8914249482064975
Energy: 0.9368885489635264
Energy: 1.0129157795463923
Energy: 0.8914249482062856
Energy: 0.9368885489679806
Energy: 0.9353982312533449
Energy: 0.9833340211435754
Energy: 0.9464959835647204
Energy: 0.9353982312520016
Energy: 0.9833340211414545
Energy: 0.9464959835623873
Energy: 0.9353982312521782
Energy: 0.9833340211416314
Energy: 0.9464959835648972
Energy: 0.9353982312527793
Energy: 0.9250412153188389
Energy: 0.943398193185308
Energy: 0.94512087871905
Energy: 0.9250412153254491
Energy: 0.9433981931868636
Energy: 0.94512087871905
Energy: 0.9250412153244595
Energy: 0.9433981931845306
Energy: 0.9451208787122275
Energy: 0.9250412153213488
Energy: 0.8832980719756195
Energy: 0.9358715506469669
Energy: 0.9478577046970903
Energy: 0.8832980719820178
Energy: 0.9358695356557657
Energy: 0.9478577047015443
Energy: 0.8832980719837499
Energy: 0.9358715506440328
Energy: 0.9478577047059985
Energy: 0.8832980719787303
Energy: 1.024120289891048
Energy: 0.9503897017249515
Energy: 0.9962813981809366
Energy: 1.0241202898863817
Energy: 0.9503836686821004
Energy: 0.9962813981795935
Energy: 1.024120289883059
Energy: 0.9503897017286633
Energy: 0.9962813981846131
Energy: 1.0241202898892803
Energy: 0.9143746666047744
Energy: 0.9258529203858044
Energy: 0.896222154729838
Energy: 0.9143746666123747
Energy: 0.9258529203855921
Energy: 0.8962221547360596
Energy: 0.9143746666113849
Energy: 0.9258529203811381
Energy: 0.8962221547331256
Energy: 0.9143746666092639
Energy: 0.9181951820718236
Energy: 1.0167662047509192
Energy: 0.8468956310062831
Energy: 0.9181951820716471
Energy: 1.016664084433081
Energy: 0.8468956310017938
Energy: 0.9181951820737679
Energy: 1.0167662047505304
Energy: 0.846895631003738
Energy: 0.9181951820733791
Energy: 0.9542796659088896
Energy: 0.9049238983047231
Energy: 0.9555645394975226
Energy: 0.9509935853389649
Energy: 0.9050897872283594
Energy: 0.9555645394971339
Energy: 0.9525421014316622
Energy: 0.904923898299067
Energy: 0.9555645394973459
Energy: 0.9524033587673608
Energy: 0.9475705338363541
Energy: 0.9004665270014751
Energy: 0.965342959890145
Energy: 0.9475705338301326
Energy: 0.9004642655619992
Energy: 0.9653429598889786
Energy: 0.9475705338357886
Energy: 0.9004665270020761
Energy: 0.9653429598864687
Energy: 0.9475705338404548

minimum gb energy = 0.8465373323015098 eV
minimum distance =  2.18034698195571 Angstroms
sigma value = 165


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

Energy: 0.8166694741925581
Energy: 0.9163340602626338
Energy: 0.9168903769846856
Energy: 0.8166694741898883
Energy: 0.9163340602579615
Energy: 0.9168903769913602
Energy: 0.8166694741932257
Energy: 0.9163340602606315
Energy: 0.916890376985353
Energy: 0.8166694741912233
Energy: 0.9180118603215883
Energy: 0.8089418639603417
Energy: 0.9749151685585636
Energy: 0.9180118603229234
Energy: 0.8089418639596743
Energy: 0.9749151685645708
Energy: 0.9180118603222559
Energy: 0.8089418639583393
Energy: 0.9749151685598986
Energy: 0.9180118603202534
Energy: 0.7849050773838385
Energy: 0.9279537378218815
Energy: 0.7694209661036141
Energy: 0.7849050773784989
Energy: 0.9279537378245514
Energy: 0.7694209661016117
Energy: 0.7849050773805012
Energy: 0.9279537378192115
Energy: 0.7694209661016117
Energy: 0.7849050773838385
Energy: 0.9802383960012853
Energy: 0.9813281507202576
Energy: 0.8215716795171799
Energy: 0.9802383960026202
Energy: 0.9813281507215926
Energy: 0.8215716795205172
Energy: 0.9802383959999503
Energy: 0.9813281507169205
Energy: 0.8215716795225196
Energy: 0.9802383959992828
Energy: 0.8454400904965396
Energy: 0.8156169820971353
Energy: 0.8454200689726825
Energy: 0.8454400904958721
Energy: 0.8156169820978028
Energy: 0.8454200689800246
Energy: 0.8454400904912301
Energy: 0.815616982102475
Energy: 0.845420068972015
Energy: 0.8454400904939001
Energy: 0.8268298220215166
Energy: 1.0411039359730363
Energy: 0.9824048015190053
Energy: 0.8268298220235188
Energy: 1.041103935971034
Energy: 0.9824048015170028
Energy: 0.8268298220201817
Energy: 1.0411039359737038
Energy: 0.9824048015143332
Energy: 0.8268298220268563
Energy: 0.8667407633669377
Energy: 0.9026669986469736
Energy: 0.9135497488147732
Energy: 0.8667407633662704
Energy: 0.9026669986496435
Energy: 0.913549748817443
Energy: 0.8667407633696076
Energy: 0.9026669986429688
Energy: 0.9135497488167755
Energy: 0.8667407633642678
Energy: 0.9545566468728504
Energy: 0.8847606251665571
Energy: 0.8844689650720575
Energy: 0.9545566468701806
Energy: 0.8847606251665571
Energy: 0.8844689650740599
Energy: 0.9545566468675105
Energy: 0.8847606251685595
Energy: 0.8844689650747274
Energy: 0.9545566468701806
Energy: 0.8666941827435385
Energy: 0.9137515393171484
Energy: 0.9026501993624
Energy: 0.8666941827422036
Energy: 0.9137515393204858
Energy: 0.9026501993617325
Energy: 0.8666941827468759
Energy: 0.9137515393191509
Energy: 0.9026501993557253
Energy: 0.8666941827442061
Energy: 0.8267921490408798
Energy: 0.9820933727593281
Energy: 1.0412124346888714
Energy: 0.8267921490395448
Energy: 0.9820933727586606
Energy: 1.0412124346948786
Energy: 0.8267921490388773
Energy: 0.9820933727599955
Energy: 1.0412124346902063
Energy: 0.8267921490422148
Energy: 0.845465008915959
Energy: 0.8453264299027313
Energy: 0.8158571964745396
Energy: 0.8454650089166263
Energy: 0.8453264299033987
Energy: 0.8158571964758744
Energy: 0.8454650089139566
Energy: 0.8453264299013963
Energy: 0.8158571964732045
Energy: 0.8454650089139566
Energy: 0.9802471978521533
Energy: 0.8215624891039746
Energy: 0.9813505692286878
Energy: 0.9802471978528208
Energy: 0.8215624891066444
Energy: 0.981350569227353
Energy: 0.980247197850151
Energy: 0.8215624891093144
Energy: 0.981350569227353
Energy: 0.9802471978541557
Energy: 0.785016996542728
Energy: 0.7694978331387624
Energy: 0.9258156417946366
Energy: 0.7850169965453979
Energy: 0.7694978331354554
Energy: 0.9258156418013112
Energy: 0.7850169965474003
Energy: 0.7694978331414323
Energy: 0.9258156417993089
Energy: 0.7850169965420606
Energy: 0.9180999101608165
Energy: 0.9749373436386822
Energy: 0.8213344146301436
Energy: 0.9180999101648212
Energy: 0.9749373436393497
Energy: 0.8213344146321461
Energy: 0.9180999101574792
Energy: 0.9749373436373473
Energy: 0.8213344146294761
Energy: 0.9180999101554767
Energy: 0.8166694741912233
Energy: 0.9163340602592964
Energy: 0.9168903769813482
Energy: 0.8166694741898883
Energy: 0.9163340602606315
Energy: 0.9168903769833507
Energy: 0.8166694741938931
Energy: 0.9163340602592964
Energy: 0.9168903769846856
Energy: 0.8166694741925581

minimum gb energy = 0.7694209661016117 eV
minimum distance =  2.27732067742552 Angstroms
sigma value = 41


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

Energy: 0.8586676860671613
Energy: 0.7226193891698566
Energy: 0.7221381511791315
Energy: 0.7941040288754166
Energy: 0.722619389164677
Energy: 0.7221381511713624
Energy: 0.8586676860671613
Energy: 0.7226193891594977
Energy: 0.7221381511713624
Energy: 0.7941040288780064
Energy: 0.7962139956339539
Energy: 0.6517240602343435
Energy: 0.7959075053978497
Energy: 0.7962139956313643
Energy: 0.6517240602343435
Energy: 0.7959075054004393
Energy: 0.7962139956313643
Energy: 0.6517240602317538
Energy: 0.7959075053978497
Energy: 0.7962139956365437
Energy: 0.7060526817295775
Energy: 0.6722689405788996
Energy: 0.7510555789713489
Energy: 0.7686728656485946
Energy: 0.6722689405788996
Energy: 0.7437898956925934
Energy: 0.7686728656563637
Energy: 0.6722689405737202
Energy: 0.720244087673257
Energy: 0.7686728656589534
Energy: 0.7006540181922114
Energy: 0.7018894710387733
Energy: 0.6915037242222939
Energy: 0.700654018194801
Energy: 0.7018894710361835
Energy: 0.6916503538975184
Energy: 0.700654018194801
Energy: 0.7018894710284145
Energy: 0.6915037242222939
Energy: 0.700654018194801
Energy: 0.7229998902757138
Energy: 0.7847398016566103
Energy: 0.7097407027032494
Energy: 0.7229998902808931
Energy: 0.7847398016462516
Energy: 0.7071385289050723
Energy: 0.722999890273124
Energy: 0.7847398016462516
Energy: 0.7097407027084287
Energy: 0.7229998902679446
Energy: 0.6828671491498719
Energy: 0.8297549123809951
Energy: 0.7134260155232958
Energy: 0.6828671491498719
Energy: 0.8297549123758157
Energy: 0.7134260155232958
Energy: 0.6828671491498719
Energy: 0.8297549123758157
Energy: 0.7134260155232958
Energy: 0.6828671491524616
Energy: 0.7063950926241286
Energy: 0.654634441582378
Energy: 0.7249822311118719
Energy: 0.706395092629308
Energy: 0.654634441582378
Energy: 0.7249822311170514
Energy: 0.7063950926189492
Energy: 0.654634441574609
Energy: 0.7249822311118719
Energy: 0.7063950926163595
Energy: 0.702723201355585
Energy: 0.6993039851980793
Energy: 0.7545861731782152
Energy: 0.7027232013607644
Energy: 0.6993231596853551
Energy: 0.7545861731730359
Energy: 0.7027232013607644
Energy: 0.6993039851851308
Energy: 0.754586173188574
Energy: 0.7027232013607644
Energy: 0.7497420482618543
Energy: 0.8460531756850723
Energy: 0.8218644703549584
Energy: 0.7497420482566749
Energy: 0.8460531756902515
Energy: 0.7895731750422729
Energy: 0.749742048264444
Energy: 0.8460531756928413
Energy: 0.8218644703394672
Energy: 0.7497420482566749
Energy: 0.6726242367156956
Energy: 0.7616296399830774
Energy: 0.7332141116454745
Energy: 0.6726242367234648
Energy: 0.7820808609949659
Energy: 0.7215263410644063
Energy: 0.6726242367182854
Energy: 0.7616296399804876
Energy: 0.7332141116428849
Energy: 0.6726242367079265
Energy: 0.666218719087187
Energy: 0.7014818307656558
Energy: 0.7024867452926458
Energy: 0.6662187190820077
Energy: 0.7013679695250503
Energy: 0.7024426070322506
Energy: 0.6662187190845974
Energy: 0.7014818307708353
Energy: 0.7024867452822869
Energy: 0.666218719087187
Energy: 0.6718968982897665
Energy: 0.7884003615953691
Energy: 0.720210613723956
Energy: 0.6718968982897665
Energy: 0.7493659931607833
Energy: 0.720210613723956
Energy: 0.6718968982923091
Energy: 0.7884003615901897
Energy: 0.7202106137291354
Energy: 0.6718968982897665
Energy: 0.7119803739202609
Energy: 0.6828378287216695
Energy: 0.8871677072717828
Energy: 0.7119803739124918
Energy: 0.682593254265569
Energy: 0.8871677072588814
Energy: 0.7119803739047228
Energy: 0.6828378287216695
Energy: 0.8871677072640608
Energy: 0.7119803739176711
Energy: 0.7201153925371118
Energy: 0.7201678865200457
Energy: 0.6781033391871838
Energy: 0.7201153925371118
Energy: 0.7201678865252251
Energy: 0.678103339194953
Energy: 0.7201153925241633
Energy: 0.720167886532947
Energy: 0.6781033391897735
Energy: 0.7201153925293426
Energy: 0.6763896649828479
Energy: 0.793099343337368
Energy: 0.7147489918866516
Energy: 0.6763896649854376
Energy: 0.7930993433295989
Energy: 0.7147489918814723
Energy: 0.6763896649932067
Energy: 0.793099343327009
Energy: 0.7147489918866516
Energy: 0.6763896649854376
Energy: 0.6727227023285083
Energy: 0.7715076521212967
Energy: 0.8137434089254048
Energy: 0.6727227023310981
Energy: 0.7715076521083482
Energy: 0.8137434089254048
Energy: 0.6727227023310981
Energy: 0.7715076521109379
Energy: 0.8137434089254048
Energy: 0.6727227023285083
Energy: 0.7219660972094896
Energy: 0.7653397644875622
Energy: 0.7173353897600436
Energy: 0.7219660972043102
Energy: 0.7387833335726484
Energy: 0.7173353897652228
Energy: 0.7219660972043102
Energy: 0.7653397644875622
Energy: 0.7173353897755816
Energy: 0.7219660972172587
Energy: 0.7174015540849774
Energy: 0.7842895386553026
Energy: 0.6695709178230397
Energy: 0.7092771904161823
Energy: 0.791579573128558
Energy: 0.6695709178152707
Energy: 0.7174015541005155
Energy: 0.784289538652713
Energy: 0.6695709178100913
Energy: 0.7092771904161823
Energy: 0.835148352603639
Energy: 0.7055070966660484
Energy: 0.6543563369381
Energy: 0.8333203736168885
Energy: 0.7055070966556894
Energy: 0.6543563369381
Energy: 0.8333203736142989
Energy: 0.7126773936305136
Energy: 0.6543563369355103
Energy: 0.8333203736117092
Energy: 0.6939773567620188
Energy: 0.8126146746759279
Energy: 0.6517770463576874
Energy: 0.6940848710964065
Energy: 0.8126146746759279
Energy: 0.6517770463576874
Energy: 0.6939773567749672
Energy: 0.8126146746759279
Energy: 0.6517770463576874
Energy: 0.6940848711041756
Energy: 0.6774364944633383
Energy: 0.7211044963103882
Energy: 0.7209399457570836
Energy: 0.6774328913457303
Energy: 0.7211044963129779
Energy: 0.7209399457519043
Energy: 0.6774364944503897
Energy: 0.7211044963103882
Energy: 0.7209399457467719
Energy: 0.6774328913483201
Energy: 0.8422041209844364
Energy: 0.6757660612623059
Energy: 0.7500552472156516
Energy: 0.8422041209818468
Energy: 0.6757660612597163
Energy: 0.7500552472130619
Energy: 0.842204120989616
Energy: 0.6757660612648956
Energy: 0.7500552472027031
Energy: 0.8422041209922055
Energy: 0.7378642433241491
Energy: 0.8483872511762569
Energy: 0.6704801521828536
Energy: 0.7378642433060212
Energy: 0.8483872511814363
Energy: 0.6704801521724948
Energy: 0.737864243308611
Energy: 0.8483872511762569
Energy: 0.6704801521724948
Energy: 0.7378642433215594
Energy: 0.7015256339329863
Energy: 0.7021720556054266
Energy: 0.6678879087821513
Energy: 0.701525633935576
Energy: 0.7021720556054266
Energy: 0.6678879087821513
Energy: 0.701525633935576
Energy: 0.7021720556183751
Energy: 0.6678879087847411
Energy: 0.7015256339329863
Energy: 0.7595205258569493
Energy: 0.8596120007908633
Energy: 0.6702857453973158
Energy: 0.7595205258647185
Energy: 0.8596120007934531
Energy: 0.6702857453895468
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Energy: 0.8596120007960428
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Energy: 0.8647011472989318
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Energy: 0.745681362699824
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Energy: 0.8000371227094784
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Energy: 0.652939036071161
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Energy: 0.6529390360659815
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Energy: 0.6757510050937187
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Energy: 0.7019797181915519
Energy: 0.7875672515294236
Energy: 0.6567792619081145
Energy: 0.7765395457640194
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Energy: 0.7875672515371928
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Energy: 0.7765395457640194
Energy: 0.7875672515346032
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Energy: 0.8270376613787389
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Energy: 0.7215706931572147
Energy: 0.7803594260507796
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Energy: 0.6517328513174508
Energy: 0.7871927111789859
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Energy: 0.6517328513070921
Energy: 0.7933632632974043
Energy: 0.7306904328314444
Energy: 0.6517328513096817
Energy: 0.7871927111789859
Energy: 0.7389154586400901
Energy: 0.6517328513174508
Energy: 0.6722018474600202
Energy: 0.701313246468618
Energy: 0.7025933848469879
Energy: 0.6722018474626098
Energy: 0.7014771956938559
Energy: 0.7026197081088292
Energy: 0.672201847470379
Energy: 0.7013132464712076
Energy: 0.7025933848521674
Energy: 0.6722018474729686
Energy: 0.6762922842172578
Energy: 0.6973023178972745
Energy: 0.7007664653101736
Energy: 0.6762922842224373
Energy: 0.6975122732111808
Energy: 0.7007664652998148
Energy: 0.6762922842224373
Energy: 0.6973023179024539
Energy: 0.7007664652998148
Energy: 0.676292284225027
Energy: 0.8007416790668219
Energy: 0.7001438780954601
Energy: 0.7459815942386275
Energy: 0.8007416790616426
Energy: 0.7004321019098013
Energy: 0.745981594243807
Energy: 0.8007416790694117
Energy: 0.7001438780954601
Energy: 0.7459815942489864
Energy: 0.8007416790668219
Energy: 0.7913423369517906
Energy: 0.7292588495855096
Energy: 0.6801228547583076
Energy: 0.7913423369621492
Energy: 0.7292588495932787
Energy: 0.680122854763487
Energy: 0.7913423369517906
Energy: 0.7292588495880993
Energy: 0.6801228547505386
Energy: 0.7913423369388419

minimum gb energy = 0.6517240602317538 eV
minimum distance =  2.14143183817235 Angstroms
sigma value = 185


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

Energy: 0.5303704663669151
Energy: 0.3285138631433974
Energy: 0.32873087020865305
Energy: 0.321649781278866
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Energy: 0.32161384445008384
Energy: 0.28004433000312684
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Energy: 0.5216871637006657
Energy: 0.32320965425942183
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Energy: 0.323209654253581
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Energy: 0.5216871637061992
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Energy: 0.32272018048517914
Energy: 0.32851386314032327
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Energy: 0.23694757959649465
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Energy: 0.32272018049009776
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Energy: 0.32873087021080494
Energy: 0.23694757959864654
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Energy: 0.3659852969790779
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Energy: 0.396576336516808
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Energy: 0.3319366562018837
Energy: 0.43028833045297393
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Energy: 0.5178366924803381
Energy: 0.28064073052499083
Energy: 0.32245383053263815
Energy: 0.5178366924788012
Energy: 0.32365235270033055
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Energy: 0.5178366924760345
Energy: 0.280640730524376
Energy: 0.3224538305314085
Energy: 0.5178366924760345
Energy: 0.38756406456475817
Energy: 0.4359715088261339
Energy: 0.32978586092207673
Energy: 0.3875640645610692
Energy: 0.4359715088242895
Energy: 0.3297858609285044
Energy: 0.3875640645607618
Energy: 0.4359715088252117
Energy: 0.32978586093250073
Energy: 0.3875640645604544
Energy: 0.23713156892759032
Energy: 0.24469027416028633
Energy: 0.32161384445405217
Energy: 0.2800443299975935
Energy: 0.3097867975110143
Energy: 0.3216138444503912
Energy: 0.23713156893312368
Energy: 0.24469027416182337
Energy: 0.3216138444491616
Energy: 0.280044330002512
Energy: 0.4269717415478427
Energy: 0.5216871637000509
Energy: 0.32320965426003667
Energy: 0.4269717415496871
Energy: 0.5216871637022029
Energy: 0.32320965425327364
Energy: 0.4269717415475352
Energy: 0.5216871637061992
Energy: 0.3232096542541959
Energy: 0.4269717415438463

minimum gb energy = 0.23694757959649465 eV
minimum distance =  2.31920057169336 Angstroms
sigma value = 33


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

Energy: 0.6994546406435213
Energy: 0.7397980844548938
Energy: 0.7397940351007535
Energy: 0.6587119428976658
Energy: 0.7397980844532062
Energy: 0.7397940350956906
Energy: 0.6994546406418336
Energy: 0.7397980844515185
Energy: 0.739794035094003
Energy: 0.6587119429027285
Energy: 0.7430305332427514
Energy: 0.6589573259287532
Energy: 0.7311354154418173
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Energy: 0.7430305332393761
Energy: 0.7080984668741949
Energy: 0.6607838743502101
Energy: 0.6899809556346048
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Energy: 0.6830272780336866
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Energy: 0.6622052877596147
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Energy: 0.6589496840632282
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Energy: 0.7665791201255973
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Energy: 0.729089994938351
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Energy: 0.7250514396245508
Energy: 0.7815243330875381
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Energy: 0.6626844432974665
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Energy: 0.7049155629298662
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Energy: 0.7283378137970018
Energy: 0.6786834951169652
Energy: 0.7627655174628319
Energy: 0.7283378137986894
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minimum gb energy = 0.6235468071504221 eV
minimum distance =  2.14206052070874 Angstroms
sigma value = 219


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

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Energy: 1.0041732009728745
Energy: 0.9317264531720546
Energy: 0.9035532266886674
Energy: 1.0041732009728745
Energy: 0.9317264531720546

minimum gb energy = 0.7917907015634721 eV
minimum distance =  2.23648120688543 Angstroms
sigma value = 15


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

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minimum gb energy = 0.8433180886792339 eV
minimum distance =  2.14414767982153 Angstroms
sigma value = 293


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

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Energy: 0.9307534554406997
Energy: 0.930747227901956
Energy: 1.0292370560258008
Energy: 0.9322214731484102
Energy: 0.9511858557239149
Energy: 1.015258187650358
Energy: 0.932221473144878
Energy: 0.9511858557254287
Energy: 1.0152581876450602
Energy: 0.9322214731375622
Energy: 0.9511858557276991
Energy: 1.0152581876480875
Energy: 0.9322214731453826
Energy: 1.0163332984610383
Energy: 0.9702223288933216
Energy: 1.011608274637636
Energy: 1.0163332984570022
Energy: 0.9702223288938262
Energy: 1.0116082746424293
Energy: 1.01633329845347
Energy: 0.9702223288905465
Energy: 1.0116082746411679
Energy: 1.0163332984570022
Energy: 0.9644518555600005
Energy: 0.9222640690128501
Energy: 0.9334727552865802
Energy: 0.9644518555627754
Energy: 0.9222640690236978
Energy: 0.9334727552873141
Energy: 0.964451855567041
Energy: 0.9222640690221844
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Energy: 0.964451855570573
Energy: 0.9781202549065339
Energy: 1.1375310069090498
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Energy: 0.9781202549070385
Energy: 1.1375310069062978
Energy: 0.9312249801765361
Energy: 0.9781202549108228
Energy: 1.1375310069133386
Energy: 0.931224980177293
Energy: 0.9781202549062817
Energy: 0.923427004890705
Energy: 0.9744211069870263
Energy: 0.9310061801569415
Energy: 0.9234270048876775
Energy: 0.9744211069850082
Energy: 0.9310061801624917
Energy: 0.9234270048871732
Energy: 0.9744211069842512
Energy: 0.9310061801622391
Energy: 0.9234270048896959
Energy: 0.9883227911049067
Energy: 0.9785311777638844
Energy: 0.9351199098601217
Energy: 0.9883227911081862
Energy: 0.9785311777601003
Energy: 0.9351199098608786
Energy: 0.9883227911059157
Energy: 0.9785311777631277
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Energy: 0.9883227911086908
Energy: 0.9700507390767508
Energy: 1.0325103632192667
Energy: 1.0322897813198515
Energy: 0.9700507390795257
Energy: 1.0325103632164918
Energy: 1.0322897813183378
Energy: 0.9700507390878509
Energy: 1.0325103632106896
Energy: 1.032289781320861
Energy: 0.9700507390777596
Energy: 0.9883024127779558
Energy: 0.9351203093639018
Energy: 0.9790834080266131
Energy: 0.9883024127792172
Energy: 0.9351203093659202
Energy: 0.9790834080273698
Energy: 0.9883024127777035
Energy: 0.9351203093628927
Energy: 0.9790834080268653
Energy: 0.9883024127761896
Energy: 0.92344384528324
Energy: 0.9309758524923828
Energy: 0.9745213271827179
Energy: 0.9234438452794558
Energy: 0.9309758524878418
Energy: 0.974521327180952
Energy: 0.9234438452794558
Energy: 0.9309758524875894
Energy: 0.97452132718297
Energy: 0.9234438452781943
Energy: 0.9781053082585667
Energy: 0.9312341932553949
Energy: 1.1374782751536638
Energy: 0.9781053082590713
Energy: 0.9312341932538813
Energy: 1.137478275150889
Energy: 0.97810530826336
Energy: 0.9312341932488357
Energy: 1.137478275151898
Energy: 0.9781053082560438
Energy: 0.9643694010822483
Energy: 0.9334626007606354
Energy: 0.9222318714396056
Energy: 0.9643694010802301
Energy: 0.933462600754833
Energy: 0.9222318714358444
Energy: 0.9643694010893121
Energy: 0.9334626007573557
Energy: 0.9222318714368536
Energy: 0.9643694010860326
Energy: 1.016369489503539
Energy: 1.0116117711327273
Energy: 0.9701964119948165
Energy: 1.0163694895040436
Energy: 1.0116117711332318
Energy: 0.9701964119953211
Energy: 1.0163694895048
Energy: 1.011611771134493
Energy: 0.9701964119948165
Energy: 1.0163694895037911
Energy: 0.9322279891767278
Energy: 1.0153267256772396
Energy: 0.9511403502424929
Energy: 0.9322279891752141
Energy: 1.0153267256666667
Energy: 0.9511403502417362
Energy: 0.9322279891754665
Energy: 1.0153267256656577
Energy: 0.9511403502467816
Energy: 0.9322279891749617
Energy: 1.0292370560242872
Energy: 0.9307534554364109
Energy: 0.9307472278906034
Energy: 1.0292370560227735
Energy: 0.9307534554409518
Energy: 0.9307472278974148
Energy: 1.029237056023026
Energy: 0.9307534554399427
Energy: 0.9307472279014513
Energy: 1.029237056026053
Energy: 0.932221473150176
Energy: 0.9511858557229058
Energy: 1.015258187649601
Energy: 0.9322214731446259
Energy: 0.9511858557259333
Energy: 1.0152581876460691
Energy: 0.9322214731360484
Energy: 0.9511858557264379
Energy: 1.015258187648592
Energy: 0.9322214731458872
Energy: 1.0163332984592726
Energy: 0.9702223288933216
Energy: 1.0116082746373838
Energy: 1.0163332984597773
Energy: 0.9702223288910511
Energy: 1.0116082746409154
Energy: 1.0163332984554885
Energy: 0.9702223288900419
Energy: 1.011608274640411
Energy: 1.0163332984628044
Energy: 0.9644518555582343
Energy: 0.9222640690123455
Energy: 0.9334727552880708
Energy: 0.9644518555617664
Energy: 0.9222640690216798
Energy: 0.9334727552860755
Energy: 0.9644518555683027
Energy: 0.9222640690211751
Energy: 0.9334727552885754
Energy: 0.964451855565023
Energy: 0.9781202549072908
Energy: 1.1375310069087976
Energy: 0.9312249801714907
Energy: 0.9781202549065339
Energy: 1.13753100690655
Energy: 0.9312249801760317
Energy: 0.97812025491385
Energy: 1.137531006912582
Energy: 0.9312249801780499
Energy: 0.9781202549052725

minimum gb energy = 0.9222318714348352 eV
minimum distance =  2.15020288985224 Angstroms
sigma value = 293


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

Energy: 0.9271591893462708
Energy: 0.9271697464989173
Energy: 0.9271619325767467
Energy: 0.927159189342623
Energy: 0.9271697464970934
Energy: 0.927161932574467
Energy: 0.9271591893430791
Energy: 0.9271697464930104
Energy: 0.927161932574467
Energy: 0.9271591893430791
Energy: 0.9249960233442936
Energy: 0.9274659772451493
Energy: 0.927869025414513
Energy: 0.9249960233534129
Energy: 0.927465977249253
Energy: 0.9278690254058496
Energy: 0.9249960233479414
Energy: 0.9274659772506209
Energy: 0.9278690254081295
Energy: 0.9249960233511331
Energy: 0.924494004232189
Energy: 0.9244457574621383
Energy: 1.0762680585043451
Energy: 0.9244940042285412
Energy: 0.9244457574653299
Energy: 1.0762680586501705
Energy: 0.9244940042244583
Energy: 0.9244457574603144
Energy: 1.0762680584701478
Energy: 0.9244940042294533
Energy: 1.0762171301241157
Energy: 0.9244840749455285
Energy: 0.9244902634553751
Energy: 1.0762171308401445
Energy: 0.9244840749405131
Energy: 0.9244902634540072
Energy: 1.07621713000656
Energy: 0.9244840749405131
Energy: 0.924490263457199
Energy: 1.0762171311969984
Energy: 0.9278523490587272
Energy: 0.9274357669914408
Energy: 0.9249789551112156
Energy: 0.9278523490637428
Energy: 0.9274357669877931
Energy: 0.9249789551116717
Energy: 0.927852349060551
Energy: 0.9274357669909848
Energy: 0.9249789551057441
Energy: 0.9278523490573592
Energy: 0.9271697464961814
Energy: 0.9271619325749227
Energy: 0.9271591893417112
Energy: 0.9271697464925546
Energy: 0.9271619325740109
Energy: 0.9271591893403432
Energy: 0.9271697464943576
Energy: 0.9271619325767467
Energy: 0.9271591893453588
Energy: 0.9271697464957255
Energy: 0.9274659772446933
Energy: 0.9278690254081295
Energy: 0.9249960233497652
Energy: 0.9274659772483409
Energy: 0.9278690254108654
Energy: 0.9249960233497652
Energy: 0.9274659772519886
Energy: 0.9278690254081295
Energy: 0.9249960233506772
Energy: 0.9274659772501648
Energy: 0.9244457574639621
Energy: 1.0762680587782552
Energy: 0.9244940042267175
Energy: 0.924445757466698
Energy: 1.076268058603704
Energy: 0.9244940042312769
Energy: 0.9244457574594026
Energy: 1.0762680587263167
Energy: 0.9244940042312769
Energy: 0.9244457574676098
Energy: 0.9244840749437049
Energy: 0.9244902634553751
Energy: 1.0762171308473987
Energy: 0.924484074938254
Energy: 0.9244902634544633
Energy: 1.0762171312261388
Energy: 0.9244840749414249
Energy: 0.9244902634526393
Energy: 1.076217130010166
Energy: 0.9244840749446167
Energy: 0.9274357669873371
Energy: 0.9249789551098478
Energy: 0.9278523490587272
Energy: 0.9274357669896169
Energy: 0.9249789551084799
Energy: 0.9278523490632868
Energy: 0.927435766988705
Energy: 0.9249789551144075
Energy: 0.9278523490559913
Energy: 0.9274357669868812
Energy: 0.9271619325749227
Energy: 0.9271591893490065
Energy: 0.9271697464975494
Energy: 0.9271619325740109
Energy: 0.9271591893403432
Energy: 0.9271697464939225
Energy: 0.9271619325767467
Energy: 0.9271591893449029
Energy: 0.9271697464916425
Energy: 0.927161932572643
Energy: 0.9278690254081295
Energy: 0.9249960233488533
Energy: 0.9274659772483409
Energy: 0.9278690254085856
Energy: 0.9249960233497652
Energy: 0.9274659772515327
Energy: 0.9278690254104093
Energy: 0.9249960233547808
Energy: 0.9274659772501648
Energy: 0.9278690254104093
Energy: 1.0762680585485322
Energy: 0.924494004229909
Energy: 0.9244457574621383
Energy: 1.0762680584824589
Energy: 0.9244940042326448
Energy: 0.9244457574603144
Energy: 1.0762680585148323
Energy: 0.9244940042271733
Energy: 0.9244457574621383
Energy: 1.0762680584623965
Energy: 0.9244902634562869
Energy: 1.0762171322871665
Energy: 0.9244840749437049
Energy: 0.9244902634562869
Energy: 1.0762171296091252
Energy: 0.9244840749414249
Energy: 0.9244902634553751
Energy: 1.0762171303611339
Energy: 0.924484074937798
Energy: 0.924490263454919
Energy: 0.9249789551103038
Energy: 0.9278523490632868
Energy: 0.9274357669850573
Energy: 0.9249789551084799
Energy: 0.9278523490600951
Energy: 0.927435766988249
Energy: 0.9249789551098478
Energy: 0.927852349062375
Energy: 0.927435766990073
Energy: 0.9249789551112156
Energy: 0.9271591893444469
Energy: 0.9271697464961814
Energy: 0.9271619325776586
Energy: 0.9271591893417112
Energy: 0.9271697464961814
Energy: 0.9271619325699073
Energy: 0.9271591893412551
Energy: 0.9271697464943576
Energy: 0.927161932574467
Energy: 0.9271591893449029
Energy: 0.9249960233452055
Energy: 0.9274659772460612
Energy: 0.9278690254099535
Energy: 0.9249960233506772
Energy: 0.9274659772487969
Energy: 0.927869025415425
Energy: 0.9249960233525009
Energy: 0.927465977249253
Energy: 0.9278690254085856
Energy: 0.9249960233520451
Energy: 0.924494004231733
Energy: 0.9244457574630501
Energy: 1.076268058668409
Energy: 0.924494004229909
Energy: 0.9244457574621383
Energy: 1.0762680585408222
Energy: 0.9244940042285412
Energy: 0.9244457574589465
Energy: 1.0762680586087194
Energy: 0.9244940042312769
Energy: 1.0762171300698973
Energy: 0.9244840749482643
Energy: 0.924490263456743
Energy: 1.076217130798196
Energy: 0.924484074939601
Energy: 0.9244902634526393
Energy: 1.0762171298305994
Energy: 0.9244840749464406
Energy: 0.9244902634562869
Energy: 1.0762171296651672
Energy: 0.9278523490587272
Energy: 0.9274357669855132
Energy: 0.9249789551144075
Energy: 0.9278523490600951
Energy: 0.9274357669896169
Energy: 0.924978955108936
Energy: 0.9278523490596391
Energy: 0.9274357669918967
Energy: 0.9249789551103038
Energy: 0.9278523490555354
Energy: 0.9271697464975494
Energy: 0.9271619325758348
Energy: 0.9271591893412551
Energy: 0.9271697464930104
Energy: 0.927161932572643
Energy: 0.9271591893412551
Energy: 0.9271697464898188
Energy: 0.9271619325767467
Energy: 0.9271591893430791
Energy: 0.9271697464952694
Energy: 0.927465977246973
Energy: 0.9278690254099535
Energy: 0.9249960233479414
Energy: 0.9274659772497087
Energy: 0.9278690254104093
Energy: 0.9249960233465736
Energy: 0.9274659772510768
Energy: 0.9278690254117772
Energy: 0.9249960233488533
Energy: 0.9274659772497087

minimum gb energy = 0.9244457574589465 eV
minimum distance =  2.21878779597278 Angstroms
sigma value = 15


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

Energy: 0.9362099249049785
Energy: 0.9162708485282345
Energy: 0.9850411963448248
Energy: 0.889046178804222
Energy: 0.9162708485261677
Energy: 0.985041196340691
Energy: 0.936209924894644
Energy: 0.9162708485282345
Energy: 0.9850411963448248
Energy: 0.8890461787980214
Energy: 0.8926994161577733
Energy: 0.881137980159728
Energy: 0.8656296070607574
Energy: 0.8926994161681077
Energy: 0.8811379801617949
Energy: 0.8656296070566236
Energy: 0.8926994161722414
Energy: 0.8811379801679955
Energy: 0.8656296070628242
Energy: 0.892699416163974
Energy: 1.0018824003174465
Energy: 0.9088220099355212
Energy: 1.0590513180542114
Energy: 1.0018824003174465
Energy: 0.9088220099251868
Energy: 1.059051318058345
Energy: 1.0018824003133127
Energy: 0.9088220099272537
Energy: 1.0590513180542114
Energy: 1.0018824003133127
Energy: 0.8701948748773924
Energy: 0.9090774582992488
Energy: 0.8710489615014748
Energy: 0.8701948748794593
Energy: 0.9090774582992488
Energy: 0.8710489615035416
Energy: 0.8701948748753257
Energy: 0.9090774582909813
Energy: 0.8710489614932073
Energy: 0.8701948748794593
Energy: 0.9455587965604219
Energy: 0.8807405855103957
Energy: 0.950964895067893
Energy: 0.9455587965624888
Energy: 0.8807405855165963
Energy: 0.9509648950575587
Energy: 0.9455587965666226
Energy: 0.8807405855186633
Energy: 0.9509648950658262
Energy: 0.9455587965604219
Energy: 0.9351255374964611
Energy: 1.0922393111916093
Energy: 0.8728676223313673
Energy: 0.9351255374964611
Energy: 1.0922393111874755
Energy: 0.8728676223251667
Energy: 0.9351255374943942
Energy: 1.0922393111895423
Energy: 0.8728676223272335
Energy: 0.9351255374943942
Energy: 0.9081263767837703
Energy: 0.9824286558585665
Energy: 0.9758597902514327
Energy: 0.9081698236784077
Energy: 0.982428655854433
Energy: 0.975859790247299
Energy: 0.9081263767796365
Energy: 0.982428655854433
Energy: 0.9758597902514327
Energy: 0.9081698236701778
Energy: 0.8873180700118342
Energy: 1.0077321730638567
Energy: 1.021457685976563
Energy: 0.8873180700056336
Energy: 1.007732173057656
Energy: 1.0214576859662285
Energy: 0.887318069997366
Energy: 1.0077321730555893
Energy: 1.0214576859682953
Energy: 0.8873180700014998
Energy: 1.120205799940241
Energy: 0.9023647564345402
Energy: 0.8992038531659752
Energy: 1.120205799942308
Energy: 0.9023858014735748
Energy: 0.8991801827970168
Energy: 1.1202057999443749
Energy: 0.9023647564386739
Energy: 0.8992038531721759
Energy: 1.120205799938174
Energy: 0.8866226473482924
Energy: 1.091021060601385
Energy: 0.9013019647152934
Energy: 0.8866387985847224
Energy: 1.0910210605993182
Energy: 0.8998361897353843
Energy: 0.8866226473503593
Energy: 1.0910210606034518
Energy: 0.9013019647132265
Energy: 0.8866387986053913
Energy: 0.9463068042583022
Energy: 0.8611801666169006
Energy: 0.9578118623358879
Energy: 0.9463068042541685
Energy: 0.8611801666293017
Energy: 0.9578118623317542
Energy: 0.9463068042541685
Energy: 0.8611801666231012
Energy: 0.9578118623338211
Energy: 0.9463068042562354
Energy: 0.9732010843845248
Energy: 0.8713446095786327
Energy: 1.0275343447516891
Energy: 0.9732010843845248
Energy: 0.871338507605214
Energy: 1.0275343447454883
Energy: 0.9732010843845248
Energy: 0.8713446095724321
Energy: 1.0275343447475553
Energy: 0.9732010843865916
Energy: 0.9925073919242062
Energy: 0.8698453256797645
Energy: 0.9569063669309688
Energy: 0.9925073919242062
Energy: 0.8698453256776977
Energy: 0.9569063669371319
Energy: 0.9925073919242062
Energy: 0.8698453256776977
Energy: 0.9569063669412657
Energy: 0.992507391926273
Energy: 0.8712117521288503
Energy: 0.8706402761607676
Energy: 1.1381492921048217
Energy: 0.8712117521329842
Energy: 0.8706402761814365
Energy: 1.13814929211929
Energy: 0.8712117521329842
Energy: 0.8706402761876371
Energy: 1.1381492921234235
Energy: 0.8712117521309173
Energy: 0.9705048799005127
Energy: 1.01579354900791
Energy: 0.8971175743883957
Energy: 0.9705048798839777
Energy: 1.015793549009977
Energy: 0.8970952432009622
Energy: 0.9705048798839777
Energy: 1.0157935489955088
Energy: 0.8971175743801282
Energy: 0.9705048799005127
Energy: 0.8818685671245908
Energy: 1.0482887187603245
Energy: 0.9983091965087785
Energy: 0.8818685671245908
Energy: 1.0482887187541239
Energy: 0.9983091965108454
Energy: 0.8818685671204571
Energy: 1.0482887187603245
Energy: 0.9983091965129123
Energy: 0.8818685671225239
Energy: 0.9170681722357039
Energy: 1.096582050235738
Energy: 0.9970277342909342
Energy: 0.8858134340681925
Energy: 1.0965820502398718
Energy: 0.9970277342805998
Energy: 0.9170681722460009
Energy: 1.096582050235738
Energy: 0.9970277342909342
Energy: 0.88581343407646
Energy: 1.0215048838739056
Energy: 0.8815423529723025
Energy: 0.8641950263526113
Energy: 1.0215048838739056
Energy: 0.8815423529784656
Energy: 0.8641950263484774
Energy: 1.0215048838656382
Energy: 0.8815423529784656
Energy: 0.8641950263464105
Energy: 1.0215048838656382
Energy: 0.8868745214165282
Energy: 1.0350743373729852
Energy: 0.9255308257632427
Energy: 0.8868745214144613
Energy: 1.035074337360584
Energy: 0.9255308257570419
Energy: 0.8868745214185951
Energy: 1.0350743373688513
Energy: 0.9255308257529082
Energy: 0.8868745214227288
Energy: 0.9899250460869106
Energy: 0.8969820596379772
Energy: 0.9300319885239305
Energy: 0.9899250460910066
Energy: 0.8969820596400441
Energy: 0.93003198851773
Energy: 0.9899250460889397
Energy: 0.8969820596379772
Energy: 0.9300319885218636
Energy: 0.9899250460848437
Energy: 0.9276588098479153
Energy: 0.881635587836709
Energy: 1.012437488024597
Energy: 0.9276588098417147
Energy: 0.8816355878408427
Energy: 1.0124374880204632
Energy: 0.9276588098396479
Energy: 0.8816355878387759
Energy: 1.012437488024597
Energy: 0.9276588098458485
Energy: 0.9834798287560393
Energy: 1.1430056225566578
Energy: 0.8737136110651533
Energy: 0.9834798287519055
Energy: 1.1430056225504572
Energy: 0.8737136110610196
Energy: 0.9834798287663737
Energy: 1.1430056225483902
Energy: 0.8737136110672203
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Energy: 0.9072186323861451
Energy: 0.9100117990423685
Energy: 0.9013301135519968
Energy: 0.9072465609654147
Energy: 0.9102285196971013
Energy: 0.9013301135540637
Energy: 0.907218632388212
Energy: 0.9100117990485691
Energy: 0.9013301135478631
Energy: 0.9072465609612809
Energy: 0.8654124211419617
Energy: 0.9081314409907418
Energy: 0.8610939623166611
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Energy: 0.9081314409886748
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Energy: 0.8654124211398949
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Energy: 0.9345131048726759
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Energy: 0.9345131048623416
Energy: 0.9314200611151616
Energy: 0.9094468687411278
Energy: 0.886820211475806
Energy: 0.9949643357816634
Energy: 1.0031322599375598
Energy: 0.8867884093368716
Energy: 0.994964335765166
Energy: 0.9060504501003906
Energy: 0.8868202114696053
Energy: 0.9949643357630991
Energy: 1.0031322599334263
Energy: 0.8867884093430722
Energy: 0.9266942688875921
Energy: 0.8646914463241275
Energy: 1.1946798241061063
Energy: 0.9266942688958596
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Energy: 1.1946798241019725
Energy: 0.926694268906194
Energy: 0.8646914463179269
Energy: 1.1946798240937053
Energy: 0.9266942689020602
Energy: 1.0281363268453678
Energy: 0.8859020749192663
Energy: 1.024983337861177
Energy: 1.0281363268391672
Energy: 0.8859020749275338
Energy: 1.0249833378715116
Energy: 1.0281363268371002
Energy: 0.885902074925467
Energy: 1.0249833378715116
Energy: 1.028136326841234
Energy: 0.9594390525248642
Energy: 0.8720115897804145
Energy: 0.9377530447139236
Energy: 0.9585268203207435
Energy: 0.8718940113232818
Energy: 0.9377530447159904
Energy: 0.9594390525289979
Energy: 0.8720115897866151
Energy: 0.9377530447159904
Energy: 0.958526820314543
Energy: 0.8877790294085517
Energy: 0.8686038465100359
Energy: 0.8955187406843307
Energy: 0.8877790294106187
Energy: 0.8686038465162365
Energy: 0.8955187406863975
Energy: 0.8877790294147524
Energy: 0.8686038465183034
Energy: 0.8955187406884643
Energy: 0.8877790294126855
Energy: 0.9165680250885127
Energy: 0.941556355162664
Energy: 0.8979435433773083
Energy: 0.9165680250947132
Energy: 0.9415563551667976
Energy: 0.8997825049531739
Energy: 0.9165680250967801
Energy: 0.9415563551667976
Energy: 0.8979435433731746
Energy: 0.9165680250905796
Energy: 0.8606604319705428
Energy: 0.9804618846630112
Energy: 0.9573989575175758
Energy: 0.8606604319643422
Energy: 0.980461884667145
Energy: 0.9573989575113752
Energy: 0.8606604319622752
Energy: 0.980461884667145
Energy: 0.9573989575113752
Energy: 0.8606604319726097
Energy: 0.9329719565814291
Energy: 0.9827947615018928
Energy: 0.982870002618688
Energy: 0.8859166300742075
Energy: 0.9827947615018928
Energy: 0.9828700026207547
Energy: 0.9329719565752284
Energy: 0.982794761497759
Energy: 0.9828700026124871
Energy: 0.8859166300742075
Energy: 0.932168780393683
Energy: 0.9827772271344347
Energy: 0.9824554691771528
Energy: 0.8853894476452969
Energy: 0.9827772271385685
Energy: 0.9700983462336579
Energy: 0.9321687804060844
Energy: 0.9827772271447691
Energy: 0.9824554691771528
Energy: 0.8853894476535644
Energy: 0.8704086706217213
Energy: 1.072678060561285
Energy: 0.9791999710667199
Energy: 0.8704086706299891
Energy: 1.0726780606211865
Energy: 0.9791999710687868
Energy: 0.870408670627922
Energy: 1.072678060778194
Energy: 0.9791999710729206
Energy: 0.870408670627922
Energy: 1.1012218579167479
Energy: 0.8973182407889894
Energy: 0.9468490398127752
Energy: 1.101221857910547
Energy: 0.8973182407848933
Energy: 0.9468490398251765
Energy: 1.1012218579188149
Energy: 0.8973182407910563
Energy: 0.9468490398148421
Energy: 1.1012218579188149
Energy: 0.8878065006815344
Energy: 0.9871840681255899
Energy: 0.8693177958787344
Energy: 0.8878065006774384
Energy: 0.9871840681297237
Energy: 0.8694228806940452
Energy: 0.8878065006794675
Energy: 0.9871840681338575
Energy: 0.8693177958849351
Energy: 0.8878065006753714
Energy: 1.0482780209909108
Energy: 1.0423528084816853
Energy: 0.8713363332700498
Energy: 1.0482780209929776
Energy: 1.042352808487886
Energy: 0.871336333267983
Energy: 1.0482780209971116
Energy: 1.0423528084816853
Energy: 0.871336333267983
Energy: 1.0482780209991784
Energy: 0.9822818119255906
Energy: 0.9802860588113042
Energy: 0.8855711225537058
Energy: 0.9822818119235237
Energy: 0.9802860588216386
Energy: 0.8855711225454383
Energy: 0.9822818119235237
Energy: 0.9802860588175047
Energy: 0.8855711225495722
Energy: 0.9822818119152562
Energy: 1.0308700575582663
Energy: 0.9515615918864245
Energy: 0.8639041570044325
Energy: 1.0308700575499987
Energy: 0.9515615918864245
Energy: 0.8639041570147669
Energy: 1.0308700575520657
Energy: 0.9515615918988258
Energy: 0.8639041570168338
Energy: 1.0308700575499987
Energy: 0.8871067262139785
Energy: 0.9754264956004759
Energy: 0.9464394129976125
Energy: 0.8871067262119117
Energy: 0.9754264956004759
Energy: 0.9464394130079092
Energy: 0.8871067261995105
Energy: 0.9754264955901416
Energy: 0.9464394130079092
Energy: 0.8871067262077779
Energy: 1.0005276638750982
Energy: 0.9022674559630091
Energy: 0.9026675655904504
Energy: 1.0005276638833656
Energy: 0.9024934401696986
Energy: 0.9026515468811422
Energy: 1.000527663879232
Energy: 0.9022674559836779
Energy: 0.9026675655925173
Energy: 1.000527663879232
Energy: 0.9887045661969561
Energy: 0.8614958056928478
Energy: 0.972347043308393
Energy: 0.9887045661907555
Energy: 0.8614958056969815
Energy: 0.9723470433063263
Energy: 0.9887045661886886
Energy: 0.8614958056969815
Energy: 0.9723470433063263
Energy: 0.9887045661886886
Energy: 0.9090403100593524
Energy: 1.0498613429547186
Energy: 0.9090200734094818
Energy: 0.9090403100676199
Energy: 1.0498613429567856
Energy: 0.9090200734136155
Energy: 0.9090403100634861
Energy: 1.049861342948518
Energy: 0.9090200734156824
Energy: 0.9090403100593524
Energy: 0.9089920636230008
Energy: 0.8716957060701013
Energy: 1.0393223644064464
Energy: 0.9089920636250678
Energy: 0.8717012895890229
Energy: 1.0393223644085132
Energy: 0.9089920636312308
Energy: 0.8716957060556707
Energy: 1.0393223644105802
Energy: 0.9089920636353646
Energy: 0.9578884643599384
Energy: 0.8856573264369246
Energy: 1.0002645239229313
Energy: 0.9578884643454703
Energy: 0.885657326430724
Energy: 1.000264523931199
Energy: 0.9578884643351356
Energy: 0.8856573264451922
Energy: 1.0002645239353327
Energy: 0.957888464347537
Energy: 0.991994458041549
Energy: 0.9226422937121952
Energy: 0.898005452215466
Energy: 0.991994458039482
Energy: 0.9226422937059945
Energy: 0.8979996262934657
Energy: 0.9919944580477497
Energy: 0.9226422937080615
Energy: 0.8980054522031022
Energy: 0.9919944580436159
Energy: 0.8612801913922509
Energy: 0.9210700558373941
Energy: 0.9532001451310618
Energy: 0.8612801913984516
Energy: 0.9210700558353272
Energy: 0.9532001451227943
Energy: 0.8612801914005184
Energy: 0.9210700558311935
Energy: 0.9532001451165937
Energy: 0.8612801913943178
Energy: 0.9169479950664501
Energy: 0.9826385183681778
Energy: 0.9823720425115265
Energy: 0.8855599901909514
Energy: 0.9826385183640438
Energy: 0.9823720425094595
Energy: 0.9169479950664501
Energy: 0.982638518361977
Energy: 0.9823720425073927
Energy: 0.8855599901971146

minimum gb energy = 0.8606604319622752 eV
minimum distance =  2.18629120613749 Angstroms
sigma value = 437


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

Energy: 0.8455746587684291
Energy: 0.8523011980153389
Energy: 0.8421874187042835
Energy: 0.8455746587661699
Energy: 0.8523011980213628
Energy: 0.8421874187072955
Energy: 0.8455746587684291
Energy: 0.8523011980191039
Energy: 0.8421874187065425
Energy: 0.845574658765417
Energy: 0.8920810454544424
Energy: 0.8034385336834359
Energy: 0.8128109318801374
Energy: 0.8920810454589604
Energy: 0.8034385336826828
Energy: 0.8128109318786314
Energy: 0.8920810454627254
Energy: 0.8034385336834359
Energy: 0.8128109318801374
Energy: 0.8920810454589604
Energy: 0.9826598838989847
Energy: 0.7885972733346291
Energy: 1.0398543377719112
Energy: 0.9826598838982318
Energy: 0.7885972733346291
Energy: 1.039854177564123
Energy: 0.9826598839042558
Energy: 0.7885972733353821
Energy: 1.03985417921018
Energy: 0.9826598839004909
Energy: 0.9020495782228609
Energy: 0.9986011175422149
Energy: 0.9037476613914042
Energy: 0.9020495782206018
Energy: 0.99860111753845
Energy: 0.9037476613883921
Energy: 0.9020495782175898
Energy: 0.9986011175377312
Energy: 0.9037476613944162
Energy: 0.9020495782206018
Energy: 0.9225072954341896
Energy: 0.826893851850629
Energy: 0.9050491331298286
Energy: 0.9225072954311776
Energy: 0.8268938518476511
Energy: 0.9050491331328406
Energy: 0.9225072954296716
Energy: 0.8268938518476511
Energy: 0.9050491331350994
Energy: 0.9225072954334365
Energy: 0.9372283165955807
Energy: 0.9559788117902216
Energy: 0.8057990955369183
Energy: 0.9372283165940749
Energy: 0.9559788117902216
Energy: 0.8057990955414365
Energy: 0.9372283165903098
Energy: 0.9559788117917275
Energy: 0.8057990955376714
Energy: 0.9372283165903098
Energy: 0.8620681923460041
Energy: 0.8415951511681234
Energy: 0.7885770874342466
Energy: 0.8620681923475102
Energy: 0.8415951511711355
Energy: 0.7885770874327405
Energy: 0.8620681923452512
Energy: 0.8415951511718884
Energy: 0.7885770874327405
Energy: 0.8620681923444983
Energy: 0.8957770027200986
Energy: 0.9741344692914459
Energy: 0.8921938035850644
Energy: 0.8957770027223576
Energy: 0.974134469292952
Energy: 0.8921938035828054
Energy: 0.8957770027208517
Energy: 0.9741344692921989
Energy: 0.8921938035782875
Energy: 0.8957770027208517
Energy: 0.9023229211977962
Energy: 0.8088486567822417
Energy: 0.8270606371523592
Energy: 0.9023229225518262
Energy: 0.8088486567814885
Energy: 0.8270606371523592
Energy: 0.9023229211744532
Energy: 0.8088486567814885
Energy: 0.8270606371501343
Energy: 0.9023229211300605
Energy: 0.9054447184590878
Energy: 0.9195214505978413
Energy: 0.9999468166680499
Energy: 0.9054447184575817
Energy: 0.9195214505985942
Energy: 0.9999468172446078
Energy: 0.9054447184553227
Energy: 0.9195214505978413
Energy: 0.9999468430542461
Energy: 0.9054447184575817
Energy: 0.8762171204424213
Energy: 0.8764008094637238
Energy: 1.1110264071743516
Energy: 0.8762171204431402
Energy: 0.8764008094659829
Energy: 1.1110264071773635
Energy: 0.8762171204416683
Energy: 0.8764008094667358
Energy: 1.1110264071751044
Energy: 0.876217120443893
Energy: 0.8913905033864874
Energy: 0.8032477639662522
Energy: 0.8220167023309009
Energy: 0.8913905033902182
Energy: 0.8032477639639932
Energy: 0.8220167023309009
Energy: 0.8913905033887121
Energy: 0.8032477639654991
Energy: 0.8220167023309009
Energy: 0.8913905033864874
Energy: 0.8080971700872428
Energy: 1.0568194840244582
Energy: 0.8268906264772956
Energy: 0.8080971700834777
Energy: 1.0568194840214467
Energy: 0.8268906264788015
Energy: 0.8080971700842308
Energy: 1.0568194840221996
Energy: 0.8268906264795546
Energy: 0.8080971700842308
Energy: 0.81790388486254
Energy: 0.8059725344068144
Energy: 0.8923294124021168
Energy: 0.8179038848647989
Energy: 0.8059725344015435
Energy: 0.8923294123998579
Energy: 0.817903884865552
Energy: 0.8059725344000375
Energy: 0.8923294124006108
Energy: 0.8179038848647989

minimum gb energy = 0.7885770874327405 eV
minimum distance =  2.19307481808176 Angstroms
sigma value = 33