Model name: model_name=Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000136196613
cohesive_energy=3.540278378030674
mass=63.546
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: 0.016767772282353318
Energy: 0.41913167778777005
Energy: 0.2357759425129767
Energy: 0.41916045026582865
Energy: 0.01676777228209726
Energy: 0.41913167778751387
Energy: 0.23577594251272063
Energy: 0.43584746298543803
Energy: 0.017226215565516696
Energy: 0.2265811126419275
Energy: 0.01710312077214863
Energy: 0.4358474629851819
Energy: 0.017226215565004574
Energy: 0.2265811126419275
Energy: 0.01676777228158514
Energy: 0.41913167778751387
Energy: 0.23577594251272063
Energy: 0.41916045026582865
Energy: 0.016767772281841196
Energy: 0.41913167778751387
Energy: 0.23577594251272063
Energy: 0.43584746298566557
Energy: 0.017226215564748515
Energy: 0.2265811126419275
Energy: 0.01710312077240469
Energy: 0.43584746298543803
Energy: 0.017226215564748515
Energy: 0.2265811126419275
Energy: 0.016767772282353318
Energy: 0.41913167778725785
Energy: 0.23577594251272063
Energy: 0.4191604502655726
Energy: 0.01676777228209726
Energy: 0.41913167778751387
Energy: 0.2357759425129767
Energy: 0.4358474629851819
Energy: 0.017226215565260636
Energy: 0.2265811126419275
Energy: 0.01710312077214863
Energy: 0.43584746298543803
Energy: 0.017226215565260636
Energy: 0.2265811126419275

minimum gb energy = 0.01676777228158514 eV
minimum distance =  2.53343654220907 Angstroms
sigma value = 5


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

Energy: 1.0065874944934101
Energy: 0.9562811103783816
Energy: 0.9892850206954972
Energy: 0.9554312122307045
Energy: 1.0065874944964688
Energy: 0.9562811103753227
Energy: 0.9892850206954972
Energy: 0.9465552214615288
Energy: 0.9498056695562374
Energy: 0.9446803013644774
Energy: 0.9627303156271048
Energy: 0.9465552214615288
Energy: 0.9498056695562374
Energy: 0.9446803013644774
Energy: 0.9369932317864943
Energy: 0.9375670174919392
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Energy: 0.9673327153562695
Energy: 0.9369932317864943
Energy: 0.9375670174919392
Energy: 0.9526336763446499
Energy: 1.0225665460900084
Energy: 0.9522585960451388
Energy: 0.928160178889636
Energy: 0.960225126059133
Energy: 1.0225665460900084
Energy: 0.9522585960451388
Energy: 0.928160178889636
Energy: 0.9467589808617038
Energy: 0.9321491023503223
Energy: 1.0022938702318505
Energy: 0.9326706490794536
Energy: 0.9467589808617038
Energy: 0.9321491023503223
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Energy: 0.9834650385740593
Energy: 0.9541679780332891
Energy: 0.9746213529906106
Energy: 0.947293228435771
Energy: 0.9834650385740593
Energy: 0.9541679780332891
Energy: 0.9746213529875518
Energy: 0.9333416128628963
Energy: 0.952990483235228
Energy: 1.0035480933385537
Energy: 0.9516026919526894
Energy: 0.9333416128628963
Energy: 0.952990483235228
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Energy: 0.9508852953432718
Energy: 0.9406614099399004
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Energy: 0.9606982358474055
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Energy: 0.9606982358474055
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Energy: 0.9913440672860651
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Energy: 1.0105497432083246
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Energy: 0.9954377148137081
Energy: 0.9459641825517334
Energy: 0.9475249351861468
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Energy: 0.9590356090439656
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Energy: 0.9493461662603726
Energy: 0.9590356090439656
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Energy: 0.999730477966364
Energy: 0.9799932173339105
Energy: 1.011590658862933
Energy: 0.9817327569022988
Energy: 0.999730477966364
Energy: 0.9799932173339105
Energy: 0.946946620052875
Energy: 0.9591190037395493
Energy: 0.9609120703864389
Energy: 0.9665467867973976
Energy: 0.946946620052875
Energy: 0.9591190037395493
Energy: 0.9609120703833801
Energy: 0.934672849268663
Energy: 0.9330136525592879
Energy: 0.957865324093627
Energy: 0.9716837526034793
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Energy: 0.9330136525592879
Energy: 0.9578653240905682
Energy: 0.9604369353804959
Energy: 0.9458625880626869
Energy: 0.9491440310980049
Energy: 0.9605231231549903
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Energy: 0.9458625880626869
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Energy: 0.933309464026254
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Energy: 0.9658889270742579
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Energy: 0.933309464026254
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Energy: 0.9658889270711991
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Energy: 0.9458048227965924
Energy: 0.9505575709293023
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Energy: 0.9542846058299655
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Energy: 0.9501497540425045
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Energy: 0.9488746410170725
Energy: 0.9516436762672619
Energy: 0.944617145160733
Energy: 0.9886194157457486
Energy: 0.9488746410140139
Energy: 0.9516436762672619
Energy: 0.944617145160733
Energy: 0.9970107143151146
Energy: 0.9338242698100434
Energy: 0.9723940385831357
Energy: 0.9433204846048836
Energy: 0.9970107143120559
Energy: 0.9338242698069846
Energy: 0.9723940385831357
Energy: 0.9815498859777878
Energy: 0.9858708923075626
Energy: 0.9774582172495593
Energy: 0.9862225720312258
Energy: 0.9815498859777878
Energy: 0.9858708923075626
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Energy: 0.9898532935245747
Energy: 0.9550140124784787
Energy: 0.9547332368835456
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Energy: 0.9409700721912411
Energy: 1.0382014149730807
Energy: 0.9561941154545128
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Energy: 0.9409700721912411
Energy: 1.0382014149730807
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Energy: 0.988764862552283
Energy: 0.9669713355071836
Energy: 0.9878833554906566
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Energy: 0.9775407130866582
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Energy: 0.943388190912851
Energy: 0.9875350081544548
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Energy: 0.9875350081544548
Energy: 0.9569866687976056
Energy: 0.9418725211439924
Energy: 0.9910131595606698
Energy: 0.940906957743044
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Energy: 0.9418725211439924
Energy: 0.9910131595606698
Energy: 0.9331530592628702
Energy: 0.9378655274903492
Energy: 0.9657412995191016
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Energy: 0.9611549501433465
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Energy: 0.9464065712210292
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Energy: 0.9611549501402877
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Energy: 0.950013244261019
Energy: 0.9917077555817898
Energy: 0.9331504945886057
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Energy: 0.950013244261019
Energy: 0.9917077555848485
Energy: 0.9568280819772874
Energy: 0.9736399783930296
Energy: 0.9721486257646833
Energy: 0.9540418647092893
Energy: 0.9568280819772874
Energy: 0.973639978389971
Energy: 0.9721486257646833
Energy: 0.9764751955044952
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Energy: 0.9536477511371336
Energy: 0.9540835980961236
Energy: 0.9764751955044952
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Energy: 0.9536477511371336
Energy: 0.9952974915677083
Energy: 0.9515126341920819
Energy: 0.9667598985100555
Energy: 0.9963595609832437
Energy: 0.9952974915677083
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Energy: 0.9667598985100555
Energy: 0.9770658209093871
Energy: 0.9395335348198861
Energy: 0.9460591196039743
Energy: 0.9525006177888794
Energy: 0.9770658209093871
Energy: 0.9395335348198861
Energy: 0.9460591196039743
Energy: 1.0187706549509357
Energy: 0.9539666378431748
Energy: 0.9559078653309744
Energy: 0.9815963141529
Energy: 1.0187706549539945
Energy: 0.9539666378431748
Energy: 0.9559078653309744
Energy: 0.9945816297377854
Energy: 0.9424471044591706
Energy: 0.9915813593656736
Energy: 0.9450675360946663
Energy: 0.9945816297377854
Energy: 0.9424471044591706
Energy: 0.9915813593656736
Energy: 0.9222780301524135
Energy: 0.9585055957715951
Energy: 0.9800820900039805
Energy: 0.9569767681378437
Energy: 0.9222780301524135
Energy: 0.9585055957715951
Energy: 0.9800820900039805
Energy: 0.9460399171185727
Energy: 0.9916929783667559
Energy: 0.9998857515208248
Energy: 0.9856668800693614
Energy: 0.9460399171185727
Energy: 0.9916929783667559
Energy: 0.9998857515208248
Energy: 0.9222765252808562
Energy: 0.9488055311986946
Energy: 0.9710596751089715
Energy: 0.9508627269110426
Energy: 0.9222765252808562
Energy: 0.9488055311956357
Energy: 0.9710596751212066

minimum gb energy = 0.922151191609926 eV
minimum distance =  2.27627079646432 Angstroms
sigma value = 401


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

Energy: 0.9884614314458956
Energy: 0.9790336324407722
Energy: 1.0013414137483831
Energy: 0.9736642611286371
Energy: 0.9884614314458956
Energy: 0.9790336324418455
Energy: 1.0013414137476888
Energy: 0.9413725093075789
Energy: 0.9563433906779637
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Energy: 0.9881634534668118
Energy: 0.9662602912828919
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Energy: 0.9881634534664331
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Energy: 0.974330896627071
Energy: 0.9884535771170484
Energy: 0.9481376165673572
Energy: 0.9515383747733989
Energy: 0.9743308966263764
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Energy: 0.9645776668166696
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Energy: 0.9583210221362594
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Energy: 0.956343390678658
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Energy: 0.9515383747733989
Energy: 0.9743308966274495
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Energy: 0.958321022137648
Energy: 0.9318119459108987
Energy: 0.9687617544507744
Energy: 0.9857611723314705
Energy: 0.9455939314424353
Energy: 0.9318119459102043
Energy: 0.9687617544507744
Energy: 0.9857611723318491
Energy: 0.9293840713663527
Energy: 0.9400007829207646
Energy: 0.9528916999848872
Energy: 0.9636118764938121
Energy: 0.9293840713663527
Energy: 0.9400007829214588
Energy: 0.9528916999831827
Energy: 0.9355251329967933
Energy: 0.9518667450674763
Energy: 1.0051438909696715
Energy: 0.9654687755609099
Energy: 0.9355251329964146
Energy: 0.9518667450674763
Energy: 1.0051438909696715
Energy: 0.951471590148982
Energy: 0.9790358400928977
Energy: 1.0126771342387328
Energy: 0.955392507986091
Energy: 0.9514715901492975
Energy: 0.9790358400925189
Energy: 1.0126771342387328
Energy: 0.9516348648236912
Energy: 0.9922868687927889
Energy: 0.9529401554001022
Energy: 0.9619471280216334
Energy: 0.9516348648229969
Energy: 0.9922868687910212
Energy: 0.9529401554007965
Energy: 0.9336234204775936
Energy: 0.9672902918766408
Energy: 1.0427697769070656
Energy: 0.972053260201724
Energy: 0.9336234204772148
Energy: 0.9672902918763252
Energy: 1.0427697769073812
Energy: 0.948149312843032
Energy: 0.9585328912301426
Energy: 1.0562962217789786
Energy: 0.967004370407614
Energy: 0.948149312842022
Energy: 0.958532891229827
Energy: 1.0562962217793574
Energy: 0.9538996976403239
Energy: 0.9790336324407722
Energy: 0.9778707770924551
Energy: 0.973664261129016
Energy: 0.9538996976406394
Energy: 0.9790336324418455
Energy: 1.0013414137466787
Energy: 0.9413725093068844
Energy: 0.9563433906779637
Energy: 0.9877535486718186
Energy: 0.962213069021786
Energy: 0.9413725093068844
Energy: 0.9563433906772693
Energy: 0.9877535486714399

minimum gb energy = 0.9293840713649639 eV
minimum distance =  2.26813266387566 Angstroms
sigma value = 311


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

Energy: 1.011814430406553
Energy: 0.976267750396154
Energy: 1.0418521513395298
Energy: 0.9616427818830572
Energy: 1.011814430406152
Energy: 0.9762677503969558
Energy: 1.0418521513395298
Energy: 1.0205324348291531
Energy: 1.001388429651522
Energy: 1.0132635134844736
Energy: 0.9856188895565728
Energy: 1.0205324348291531
Energy: 1.001388429651522
Energy: 1.0132635134848744
Energy: 0.9787262508394278
Energy: 0.9682873586973721
Energy: 1.0743218446291263
Energy: 0.9749488139571518
Energy: 0.9787262508398286
Energy: 0.9682873586973721
Energy: 1.0743218446291263
Energy: 0.9695584496903039
Energy: 0.9579057453644931
Energy: 1.03605760034196
Energy: 0.9475477272290128
Energy: 0.9695584496899029
Energy: 0.9579057453640921
Energy: 1.03605760034196
Energy: 0.9969214349158003
Energy: 0.9654954698204178
Energy: 1.0593530466937764
Energy: 0.98510984746131
Energy: 0.9969214349158003
Energy: 0.9654954698200169
Energy: 1.0593530466945784
Energy: 0.9608730945571416
Energy: 0.9794653111445205
Energy: 0.9738950737505289
Energy: 0.9729882777644551
Energy: 0.9608730945571416
Energy: 0.9794653111441197
Energy: 0.9738950737505289
Energy: 0.9585897918088363
Energy: 0.9678068661894851
Energy: 0.989155532164151
Energy: 0.9824766870787854
Energy: 0.958589791810039
Energy: 0.9678068661898861
Energy: 0.989155532164151
Energy: 0.9606919605213856
Energy: 0.9676086992583975
Energy: 0.9880302024529122
Energy: 0.9656103647437745
Energy: 0.9606919605209848
Energy: 0.9676086992587984
Energy: 0.9880302024525113
Energy: 0.9961872405930254
Energy: 0.9739326470376044
Energy: 0.9781498369845038
Energy: 0.9692346636186376
Energy: 0.9961872405926246
Energy: 0.9739326470372036
Energy: 0.9781498369849047
Energy: 0.962319412184109
Energy: 0.9817121374308599
Energy: 1.0407344965730339
Energy: 0.965863186845789
Energy: 0.9623194121837082
Energy: 0.9817121374308599
Energy: 1.040734496572232
Energy: 1.0210939777472685
Energy: 0.9757954632033721
Energy: 1.0030811652341924
Energy: 0.9513282978953223
Energy: 1.0210939777472685
Energy: 0.9757954632025702
Energy: 1.0030811652341924
Energy: 1.0088403654263836
Energy: 0.9865207332619068
Energy: 1.0091420724370168
Energy: 1.0474772475939884
Energy: 1.0088403654263836
Energy: 0.9865207332623078
Energy: 1.0091420724366158
Energy: 0.9916631562090717
Energy: 1.0006944053128248
Energy: 1.0217602883991617
Energy: 0.9807777098588862
Energy: 0.9916631562090717
Energy: 1.0006944053124238
Energy: 1.0217602883991617
Energy: 0.9847437339619738
Energy: 0.98277268621347
Energy: 1.007294283022776
Energy: 0.9818496375526319
Energy: 0.9847437339619738
Energy: 0.982772686213069
Energy: 1.0072942830231768
Energy: 1.012067928150342
Energy: 0.9619168796358472
Energy: 1.045896596584546
Energy: 0.9571793649739704
Energy: 1.0120679281507425
Energy: 0.9619168796358472
Energy: 1.0458965965837441
Energy: 1.0319425594883638
Energy: 0.9836458021121153
Energy: 1.0196026158949254
Energy: 0.9870849766502017
Energy: 1.031942559487963
Energy: 0.9836458021121153
Energy: 1.0196026158949254
Energy: 1.0113138535744564
Energy: 0.9795594966475569
Energy: 0.9872004893065462
Energy: 1.0066199448938962
Energy: 1.0113138535740553
Energy: 0.9795594966475569
Energy: 0.987200489306947
Energy: 0.9699721516452537
Energy: 0.967131296540629
Energy: 0.9888439173805107
Energy: 0.980228559906187
Energy: 0.9699721516452537
Energy: 0.9671312965410298
Energy: 0.9888439173805107
Energy: 0.9769352783429187
Energy: 0.9635170201325518
Energy: 0.9775121234390522
Energy: 0.9709568056248702
Energy: 0.9769352783429187
Energy: 0.9635170201329527
Energy: 0.9775121234390522
Energy: 0.9953066900275823
Energy: 0.96593122793657
Energy: 0.9732489979977468
Energy: 0.9768580694072981
Energy: 0.9953066900275823
Energy: 0.965931227936971
Energy: 0.973248997996544
Energy: 0.972207724279994
Energy: 0.9843001450183146
Energy: 0.9965308576152587
Energy: 0.9616893824863187
Energy: 0.9722077242803949
Energy: 0.9843001450179136
Energy: 0.9965308576152587
Energy: 0.9706677470198907
Energy: 0.969456181580656
Energy: 0.9911607188739687
Energy: 0.945950709225443
Energy: 0.9706677470202917
Energy: 0.969456181580656
Energy: 0.9911607188739687
Energy: 0.9967181414690015
Energy: 0.9746598782571133
Energy: 0.951832358551734
Energy: 0.9655705502903655
Energy: 0.9967181414677988
Energy: 0.9746598782571133
Energy: 0.951832358551734
Energy: 0.9698363767580618
Energy: 0.9834094440718159
Energy: 1.032377614100197
Energy: 0.9615445168695893
Energy: 0.9698363767580618
Energy: 0.9834094440726178
Energy: 1.032377614100598
Energy: 0.9766832320283266
Energy: 0.9762561780294994
Energy: 1.0342494207619817
Energy: 0.9932000190735982
Energy: 0.976683232027124
Energy: 0.9762561780290985
Energy: 1.0342494207643869
Energy: 0.995981178141658
Energy: 0.9557178855159159
Energy: 0.998589067631322
Energy: 0.9636414844978672
Energy: 0.995981178141658
Energy: 0.955717885515515
Energy: 0.998589067631723
Energy: 1.0180127154599419
Energy: 0.973562144718954
Energy: 1.0344853463627437
Energy: 0.9612593210298588
Energy: 1.0180127154595406
Energy: 0.973562144719355
Energy: 1.0344853463631447
Energy: 1.0090197424337037
Energy: 1.0009543878189584
Energy: 0.9877054149609938
Energy: 1.0095270196821535
Energy: 1.0090197424345055
Energy: 1.0009543878189584
Energy: 0.9877054149605929
Energy: 0.9730186425362706
Energy: 0.9632345163308264
Energy: 1.0458611759965182
Energy: 0.9715730846379563
Energy: 0.9730186425370724
Energy: 0.9632345163320293
Energy: 1.045861175996919
Energy: 0.9596296430004871
Energy: 0.9633694604638149
Energy: 1.0352175849271223
Energy: 0.9575758104765018
Energy: 0.9596296429996852
Energy: 0.9633694604638149
Energy: 1.0352175849271223
Energy: 0.9770556237259617
Energy: 0.9654521762783089
Energy: 1.0316499201556373
Energy: 0.9767756473091153
Energy: 0.9770556237263627
Energy: 0.9654521762783089
Energy: 1.031649920156439
Energy: 0.9687623047638385
Energy: 0.9458825108212958
Energy: 0.9760118098802533
Energy: 0.9609241371154582
Energy: 0.9687623047634376
Energy: 0.9458825108216967
Energy: 0.9760118098798523
Energy: 0.9728016219103406
Energy: 0.9845141927270831
Energy: 0.9849628866477209
Energy: 0.9839013299301033
Energy: 0.9728016219107414
Energy: 0.984514192727484
Energy: 0.9849628866473199
Energy: 0.9600266004618383
Energy: 0.9675008503747492
Energy: 1.016032964384348
Energy: 0.9668532562487281
Energy: 0.9600266004618383
Energy: 0.9675008503751501
Energy: 1.016032964384348
Energy: 0.9727130939246326
Energy: 0.9697811336940286
Energy: 1.0705522573331998
Energy: 0.9684955700190366
Energy: 0.9727130939250336
Energy: 0.9697811336940286
Energy: 1.0705522573331998
Energy: 0.9631301043243833
Energy: 0.9832323264568219
Energy: 1.0297800065155653
Energy: 0.9659240848665591
Energy: 0.9631301043243833
Energy: 0.9832323264568219
Energy: 1.0297800065159661

minimum gb energy = 0.9458825108212958 eV
minimum distance =  2.29653359525328 Angstroms
sigma value = 39


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

Energy: 1.0050777199945948
Energy: 0.9876356378097046
Energy: 1.0353316766975174
Energy: 0.9883044922271176
Energy: 1.005077719995068
Energy: 0.9876356378101778
Energy: 1.0353316766970442
Energy: 0.9458484180818296
Energy: 0.9729153069239753
Energy: 0.9093469354964656
Energy: 1.0239248857452428
Energy: 0.9458484180818296
Energy: 0.9729153069235021
Energy: 0.9093469354964656
Energy: 0.9574666672436943
Energy: 0.9555072146292864
Energy: 0.9744882338698538
Energy: 0.9681044847713346
Energy: 0.9574666672436943
Energy: 0.9555072146288133
Energy: 0.9744882338698538
Energy: 0.9541487887160169
Energy: 1.012621413304936
Energy: 0.9603276106411228
Energy: 0.9864725212067336
Energy: 0.9541487887160169
Energy: 1.012621413304936
Energy: 0.9603276106411228
Energy: 1.0450380515929716
Energy: 0.960215671211974
Energy: 0.9752424326966123
Energy: 1.007293838101319
Energy: 1.0450380515934448
Energy: 0.960215671211974
Energy: 0.9752424326961392
Energy: 0.9727251493421634
Energy: 0.9663491720855374
Energy: 1.0363186805849585
Energy: 0.9783028118340599
Energy: 0.9727251493421634
Energy: 0.9663491720855374
Energy: 1.0363186805854316
Energy: 1.0939123139102693
Energy: 0.9607100703328488
Energy: 0.992673739395539
Energy: 1.0076818582379026
Energy: 1.0939123139102693
Energy: 0.960710070333322
Energy: 0.992673739395539
Energy: 0.9539026296407305
Energy: 0.9855683935065283
Energy: 1.065070748313737
Energy: 0.9068095822979855
Energy: 0.9539026296412036
Energy: 0.9855683935065283
Energy: 1.0650707483132638
Energy: 1.0932205992456836
Energy: 0.9599479124195334
Energy: 1.0244195679489383
Energy: 1.006986970043027
Energy: 1.0932205992461568
Energy: 0.9599479124200065
Energy: 1.0244195679484651
Energy: 0.954167015148144
Energy: 0.9779378813377786
Energy: 1.0362210661597844
Energy: 0.9662307670450786
Energy: 0.954167015148144
Energy: 0.9779378813382518
Energy: 1.0362210661593114
Energy: 0.973923679178948
Energy: 0.9600490878843299
Energy: 1.0056721175296974
Energy: 1.0074628730224913
Energy: 0.9739236791794211
Energy: 0.9600490878848028
Energy: 1.005672117527805
Energy: 0.9540980034026173
Energy: 0.9677487659702497
Energy: 0.9606489062259711
Energy: 0.973186437808621
Energy: 0.9540980034026173
Energy: 0.9677487659707229
Energy: 0.960648906225498
Energy: 0.9578085827568151
Energy: 0.977566616646416
Energy: 1.0015503779543746
Energy: 0.8954243705173824
Energy: 0.9578085827572883
Energy: 0.9775666166459428
Energy: 1.0015503779543746
Energy: 0.9460656406686668
Energy: 0.9984244645346626
Energy: 0.9090250920424698
Energy: 1.0254929949787643
Energy: 0.9460656406686668
Energy: 0.9984244645351358
Energy: 0.9090250920419967
Energy: 0.9870527943624285
Energy: 0.9876356378097046
Energy: 1.0353316766970442
Energy: 0.9883044922266446
Energy: 0.9870527943624285
Energy: 0.9876356378101778
Energy: 1.0353316766975174
Energy: 0.945848418082776
Energy: 0.9729153069244485
Energy: 0.9093469354959924
Energy: 1.024750810881244
Energy: 0.945848418082776
Energy: 0.9729153069249217
Energy: 0.9093469354964656
Energy: 0.9574666672432212
Energy: 0.9624751815399002
Energy: 0.9744882338693807
Energy: 0.9681044847718078
Energy: 0.9574666672432212
Energy: 0.9624751815399002
Energy: 0.9744882338698538
Energy: 0.9541487887150706
Energy: 1.012621413304936
Energy: 0.9603276106420691
Energy: 0.9864725212076799
Energy: 0.9541487887150706
Energy: 1.012621413304936
Energy: 0.9603276106415959
Energy: 1.017943707463095
Energy: 0.9602156712115009
Energy: 0.9752424326961392
Energy: 1.0072938381008458
Energy: 1.017943707463095
Energy: 0.9602156712110277
Energy: 0.9752424326961392
Energy: 0.9964606083543609
Energy: 0.9663491720855374
Energy: 1.0363186805844853
Energy: 0.9783028118340599
Energy: 0.9964606083543609
Energy: 0.9663491720860105
Energy: 1.0363186805849585
Energy: 1.09391231390885
Energy: 0.9607100703319025
Energy: 0.9926737393950659
Energy: 1.0075393174742941
Energy: 1.093912313909323
Energy: 0.9607100703319025
Energy: 0.992673739395539
Energy: 0.9539026296412036
Energy: 0.9657437802583868
Energy: 1.0650707483146833
Energy: 0.9068095822975123
Energy: 0.9539026296412036
Energy: 0.96574378025886
Energy: 1.0650707483146833
Energy: 1.0932205992452104
Energy: 0.9599479124200065
Energy: 1.0244195679484651
Energy: 1.0069869700435001
Energy: 1.0932205992456836
Energy: 0.9599479124195334
Energy: 1.024419567947992
Energy: 0.9784258402382715
Energy: 0.9779378813382518
Energy: 1.0362210661593114
Energy: 0.9662307670441322
Energy: 0.9784258402387447
Energy: 0.9779378813382518
Energy: 1.036221066158365
Energy: 0.9739236791798943
Energy: 0.9600490878848028
Energy: 1.0056721175273318
Energy: 1.0072349640146852
Energy: 0.9739236791794211
Energy: 0.9600490878848028
Energy: 1.0056721175273318
Energy: 0.9540980034021441
Energy: 0.9677487659707229
Energy: 0.9602249951279547
Energy: 0.9731864378090942
Energy: 0.9540980034021441
Energy: 0.9677487659702497
Energy: 0.9602249951274816
Energy: 0.9578085827568151
Energy: 0.9775666166459428
Energy: 1.0015503779548478
Energy: 0.8954243705173824
Energy: 0.9578085827572883
Energy: 0.9775666166459428
Energy: 1.0015503779548478
Energy: 0.94606564066914
Energy: 0.998424464533716
Energy: 0.909025092042943
Energy: 1.0254929949782912
Energy: 0.94606564066914
Energy: 0.998424464533716
Energy: 0.9090250920424698
Energy: 0.9575617629962396
Energy: 0.9876356378092316
Energy: 1.0353316766970442
Energy: 0.9883044922266446
Energy: 0.9575617629952934
Energy: 0.9876356378097046
Energy: 1.0353316766975174
Energy: 0.9458484180818296
Energy: 0.9729153069244485
Energy: 0.9093469354964656
Energy: 1.0246527227592959
Energy: 0.945848418082776
Energy: 0.9729153069239753
Energy: 0.9093469354969388

minimum gb energy = 0.8954243705173824 eV
minimum distance =  2.33451051495515 Angstroms
sigma value = 21


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

Energy: 1.0053400532715775
Energy: 1.0256589277256063
Energy: 1.0360344559869863
Energy: 1.0257397207825782
Energy: 1.0053400532715775
Energy: 1.0256589277250319
Energy: 1.0360344559869863
Energy: 1.0133750152601793
Energy: 0.9589438971726866
Energy: 0.9008831342841869
Energy: 0.9582573216381827
Energy: 1.0133750152601793
Energy: 0.9589438971726866
Energy: 0.9008831342841869
Energy: 0.997319866296603
Energy: 0.9418176131449018
Energy: 0.9816849223939025
Energy: 0.9532031578608018
Energy: 0.997319866296603
Energy: 0.9418176131449018
Energy: 0.9816849223939025
Energy: 1.0118012493909143
Energy: 0.957597044895799
Energy: 0.9374520867841534
Energy: 0.9588070957465364
Energy: 1.0118012493909143
Energy: 0.957597044895799
Energy: 0.937452086783579
Energy: 0.9608350728292067
Energy: 0.924072875933195
Energy: 0.9888867031976677
Energy: 0.925493769597364
Energy: 0.9608350728286325
Energy: 0.924072875933195
Energy: 0.9888867031976677
Energy: 1.0118404423372716
Energy: 0.9889284979144276
Energy: 0.9888973356749
Energy: 0.9581297228695144
Energy: 1.0118404423372716
Energy: 0.9889284979150018
Energy: 0.9888973356749
Energy: 0.997114614983475
Energy: 0.9244785108521235
Energy: 0.9887796044710144
Energy: 0.9743630840372944
Energy: 0.9971146149840493
Energy: 0.924478510851549
Energy: 0.9887796044710144
Energy: 1.0050393265794253
Energy: 0.9549964153559998
Energy: 0.9872730727549571
Energy: 0.9587028358578041
Energy: 1.0050393265805742
Energy: 0.9549964153559998
Energy: 0.9872730727555316
Energy: 0.9971259270835591
Energy: 0.9584076316134098
Energy: 0.9737767152835541
Energy: 0.9680953025538139
Energy: 0.9971259270829846
Energy: 0.9584076316134098
Energy: 0.9737767152835541
Energy: 0.9979142159913635
Energy: 0.952692134498391
Energy: 0.9279875675192607
Energy: 0.9588168292895749
Energy: 0.9979142159913635
Energy: 0.952692134498391
Energy: 0.9279875675192607
Energy: 1.0106953688304898
Energy: 0.9683985624909538
Energy: 0.9748886434302573
Energy: 0.9659931039257599
Energy: 1.0106953688304898
Energy: 0.9683985624909538
Energy: 0.9748886434302573
Energy: 0.9052416887965256
Energy: 0.9222791693271509
Energy: 0.9227593543390163
Energy: 0.9227771372890412
Energy: 0.9052416887965256
Energy: 0.9222791693277254
Energy: 0.9227593543395907
Energy: 1.0143355205458353
Energy: 0.9658320427877854
Energy: 0.984190874074854
Energy: 0.9586590462859883
Energy: 1.0143355205458353
Energy: 0.9658320427877854
Energy: 0.984190874074854
Energy: 0.905178775566403
Energy: 0.9214175136132552
Energy: 0.9876521043881841
Energy: 0.9230787128793022
Energy: 0.905178775566403
Energy: 0.9214175136138296
Energy: 0.9876521043881841
Energy: 1.0181419146098047
Energy: 0.9215836013976559
Energy: 0.9611300203381352
Energy: 0.9588443130840537
Energy: 1.0181419146098047
Energy: 0.9215836013982304
Energy: 0.9611300203381352
Energy: 0.9054678138597733
Energy: 1.005698906289737
Energy: 0.9698274999543361
Energy: 0.9737088783972992
Energy: 0.9054678138597733
Energy: 1.005698906289737
Energy: 0.9698274999537617
Energy: 1.0183293834867497
Energy: 0.9195799771511078
Energy: 1.0527152376260995
Energy: 0.95865840782407
Energy: 1.0183293834867497
Energy: 0.9195799771516823
Energy: 1.052715237625525
Energy: 0.905216379702268
Energy: 0.9637210587023362
Energy: 0.9698937640155167
Energy: 1.0056917383365527
Energy: 0.905216379702268
Energy: 0.9637210587029106
Energy: 0.9698937640155167
Energy: 0.9897369166233029
Energy: 0.9195396685427064
Energy: 1.035331272466948
Energy: 0.9615941869541917
Energy: 0.9897369166238772
Energy: 0.9195396685427064
Energy: 1.0353312724675223
Energy: 0.9054003234914163
Energy: 0.9989121940676825
Energy: 0.9735272461467308
Energy: 0.9987728586456109
Energy: 0.9054003234914163
Energy: 0.9989121940682569
Energy: 0.9735272461467308
Energy: 0.9897262823843973
Energy: 0.9614073272555239
Energy: 1.0353360024174971
Energy: 0.9204096180977068
Energy: 0.9897262823849717
Energy: 0.9614073272555239
Energy: 1.0353360024174971
Energy: 0.9052100479727282
Energy: 1.0057024073328567
Energy: 0.9698569137514305
Energy: 0.9636360722677236
Energy: 0.9052100479727282
Energy: 1.0057024073322824
Energy: 0.9698569137514305
Energy: 1.018320954572902
Energy: 0.9588246125653922
Energy: 1.0069611649702812
Energy: 0.9197389297501745
Energy: 1.018320954572902
Energy: 0.9588246125653922
Energy: 1.0069611649702812
Energy: 0.9052709324447972
Energy: 0.9737881426957748
Energy: 0.9697916624987309
Energy: 1.0057025643036075
Energy: 0.9052709324447972
Energy: 0.9737881426957748
Energy: 0.9697916624993054
Energy: 1.0182283440045652
Energy: 0.9588313722735335
Energy: 0.9620916255927551
Energy: 0.9195719488061864
Energy: 1.0182283440045652
Energy: 0.9588313722735335
Energy: 0.9620916255933295

minimum gb energy = 0.9008831342841869 eV
minimum distance =  2.32808510591307 Angstroms
sigma value = 113


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

Energy: 0.9450336857973541
Energy: 1.0386336011353758
Energy: 0.9916735636796283
Energy: 1.0386822259783552
Energy: 0.9450336858005599
Energy: 1.0386336011353758
Energy: 0.9916735636796283
Energy: 1.0080069494887427
Energy: 0.9859155988104525
Energy: 0.9174337967842172
Energy: 0.9868297265484423
Energy: 1.0080069494919481
Energy: 0.9859155988104525
Energy: 0.9174337967810116
Energy: 0.9450376737316676
Energy: 0.9865778486552542
Energy: 0.9886864761044901
Energy: 0.9630754793519899
Energy: 0.9450376737348732
Energy: 0.9865778486552542
Energy: 0.9886864761044901
Energy: 0.9121072786593991
Energy: 0.9922905891267455
Energy: 0.9219107677827125
Energy: 0.993182821534248
Energy: 0.9121072786561936
Energy: 0.9922905891267455
Energy: 0.9219107677859181
Energy: 0.926850252051933
Energy: 0.9356241719128474
Energy: 1.0047281101890297
Energy: 0.9183465057638978
Energy: 0.9268502520583445
Energy: 0.9356241719128474
Energy: 1.0047281101890297
Energy: 0.9120855241389495
Energy: 0.9420133045358875
Energy: 0.9767352578742071
Energy: 0.9363161809200578
Energy: 0.9120855241389495
Energy: 0.9420133045326818
Energy: 0.9767352578742071
Energy: 0.9164882301648422
Energy: 0.9352883858749025
Energy: 0.9547046675990494
Energy: 0.9303823499402264
Energy: 0.9164882301648422
Energy: 0.9352883858749025
Energy: 0.9547046675990494
Energy: 0.9141235877402129
Energy: 0.9529189024401822
Energy: 0.9343703062213564
Energy: 0.9312040378528876
Energy: 0.9141235877402129
Energy: 0.9529189024401822
Energy: 0.9343703062213564
Energy: 0.91630196639352
Energy: 0.9165936513110469
Energy: 1.0019364539514164
Energy: 0.909983709103881
Energy: 0.91630196639352
Energy: 0.9165936513110469
Energy: 1.0019364539514164
Energy: 0.9058279670255005
Energy: 0.9549556182800943
Energy: 0.9453401086572106
Energy: 0.9288294641606613
Energy: 0.905827967028706
Energy: 0.9549556182800943
Energy: 0.9453401086572106
Energy: 0.9164106874782448
Energy: 0.944884618686401
Energy: 0.998539880142498
Energy: 0.9099871508189733
Energy: 0.9164106874782448
Energy: 0.944884618686401
Energy: 0.9985398801457035
Energy: 0.905671754345354
Energy: 0.937233163718466
Energy: 0.9783662514061703
Energy: 0.9490539938118954
Energy: 0.905671754345354
Energy: 0.937233163718466
Energy: 0.9783662514061703
Energy: 0.9170026230933128
Energy: 0.9509060454073408
Energy: 0.9983457373408868
Energy: 0.9320324934022899
Energy: 0.9170026230933128
Energy: 0.9509060454073408
Energy: 0.9983457373408868
Energy: 0.9393345058995519
Energy: 0.9685638325070904
Energy: 0.9785231198070353
Energy: 0.9557671572475568
Energy: 0.9393345058995519
Energy: 0.9685638325070904
Energy: 0.9785231198070353
Energy: 0.9170419309486092
Energy: 0.9607616150424825
Energy: 1.0165656732744663
Energy: 0.968413799091537
Energy: 0.9170419309486092
Energy: 0.9607616150424825
Energy: 1.0165656732744663
Energy: 0.9393673356698511
Energy: 0.9329382413459884
Energy: 0.9863828514736673
Energy: 0.9492733624658177
Energy: 0.9393673356698511
Energy: 0.9329382413427827
Energy: 0.9863828514736673
Energy: 0.9411956261616832
Energy: 0.9506266836815911
Energy: 1.0179515873306386
Energy: 0.9350915594830337
Energy: 0.9411956261584774
Energy: 0.9506266836815911
Energy: 1.0179515873306386
Energy: 0.9059554559552074
Energy: 0.9126350069244361
Energy: 0.9875470443086317
Energy: 0.9510823168751903
Energy: 0.9059554559552074
Energy: 0.9126350069244361
Energy: 0.9875470443054262
Energy: 0.9411631080383193
Energy: 0.9298639175161469
Energy: 1.0109076777239863
Energy: 0.94469090680488
Energy: 0.9411631080415248
Energy: 0.9298639175161469
Energy: 1.0109076777239863
Energy: 0.9060470694428272
Energy: 0.9323872690649514
Energy: 0.9743869649191673
Energy: 0.9324517998598997
Energy: 0.9060470694460327
Energy: 0.9323872690649514
Energy: 0.974386964912756
Energy: 0.9285410286337547
Energy: 0.9324300616001718
Energy: 0.9396268869182289
Energy: 0.9553348130657185
Energy: 0.9285410286337547
Energy: 0.9324300616001718
Energy: 0.9396268869214345
Energy: 0.9061302470781405
Energy: 0.9311635610271876
Energy: 0.9388426671387682
Energy: 0.9402003396528804
Energy: 0.9061302470813462
Energy: 0.9311635610271876
Energy: 0.9388426671387682
Energy: 0.9355319599441876
Energy: 0.9275115263494109
Energy: 0.9768940928624248
Energy: 0.9855543694348758
Energy: 0.9355319599441876
Energy: 0.9275115263462052
Energy: 0.9768940928624248
Energy: 0.9140006460237107
Energy: 0.9367141674986672
Energy: 1.0089740717263211
Energy: 0.940398968474044
Energy: 0.9140006460237107
Energy: 0.9367141674986672
Energy: 1.008974071729527
Energy: 0.9350012355319006
Energy: 0.9827712778091943
Energy: 0.9863062608648496
Energy: 1.045208888428831
Energy: 0.9350012355319006
Energy: 0.9827712778123999
Energy: 0.9863062608680553
Energy: 0.9291578496878025
Energy: 0.9780919097309966
Energy: 1.0830220598703597
Energy: 0.9250936360829718
Energy: 0.9291578496878025
Energy: 0.9780919097309966
Energy: 1.0830220598703597
Energy: 1.0485418960625086
Energy: 0.9786978398811955
Energy: 0.9524523713357517
Energy: 1.0376335515894524
Energy: 1.0485418960625086
Energy: 0.9786978398811955
Energy: 0.9524523713357517
Energy: 0.9362327669494057
Energy: 1.0362749098011947
Energy: 1.0833509690756526
Energy: 0.987858930998092
Energy: 0.9362327669494057
Energy: 1.0362749098011947
Energy: 1.0833509690724472
Energy: 1.0483163047138164
Energy: 0.9787778778900751
Energy: 0.9528219090364393
Energy: 1.0374781639064672
Energy: 1.0483163047138164
Energy: 0.9787778778900751
Energy: 0.9528219090364393
Energy: 0.9364266095080005
Energy: 0.976748064108534
Energy: 1.012092026307215
Energy: 0.9268771797192872
Energy: 0.9364266095080005
Energy: 0.9767480641053284
Energy: 1.0120920263136262
Energy: 0.9278075129217801
Energy: 0.978666517962211
Energy: 0.9696494960623736
Energy: 1.045926494766711
Energy: 0.9278075129185744
Energy: 0.978666517962211
Energy: 0.969649496059168
Energy: 0.9366308996006333
Energy: 0.9352747621317115
Energy: 0.9936453649005511
Energy: 0.9415565231052553
Energy: 0.9366308996006333
Energy: 0.9352747621317115
Energy: 0.9936453649005511
Energy: 0.9277880552886929
Energy: 0.9298156138790793
Energy: 0.9694163267787639
Energy: 0.9726657731670499
Energy: 0.9277880552854872
Energy: 0.9298156138790793
Energy: 0.9694163267819695
Energy: 0.9485753390971251
Energy: 0.9351953980659597
Energy: 0.9960211629147863
Energy: 0.9448592143262887
Energy: 0.9485753391003309
Energy: 0.9351953980659597
Energy: 0.9960211629147863
Energy: 0.9295437859779467
Energy: 0.927734958162166
Energy: 0.9962142245691514
Energy: 0.9741216642747728
Energy: 0.9295437859779467
Energy: 0.927734958162166
Energy: 0.9962142245659458
Energy: 0.9486507120659211
Energy: 0.9332316989804534
Energy: 1.018460809159745
Energy: 0.9278363695493064
Energy: 0.9486507120659211
Energy: 0.9332316989804534
Energy: 1.018460809159745
Energy: 0.9295423371678315
Energy: 0.9181704779415661
Energy: 0.9748913069099094
Energy: 0.9926332500395019
Energy: 0.929542337164626
Energy: 0.9181704779415661
Energy: 0.9748913069099094
Energy: 0.9496380514430008
Energy: 0.9319417904993639
Energy: 1.0029765346026667
Energy: 0.9241844186698398
Energy: 0.9496380514430008
Energy: 0.9319417904961582
Energy: 1.0029765346026667
Energy: 0.9296021416930242
Energy: 0.9704974715884715
Energy: 1.0079636258972313
Energy: 0.9744297376293256
Energy: 0.9296021416930242
Energy: 0.9704974715884715
Energy: 1.0079636258972313
Energy: 0.949531025548276
Energy: 0.9722012422597658
Energy: 1.0052983162034894
Energy: 0.946710903499997
Energy: 0.949531025548276
Energy: 0.9722012422597658
Energy: 1.0052983162034894
Energy: 0.9776199818331276
Energy: 0.9692340438110928
Energy: 0.9586788182292683
Energy: 0.9743687184689771
Energy: 0.9776199818331276
Energy: 0.9692340438110928
Energy: 0.9586788182292683
Energy: 0.9495836125955706
Energy: 0.9593574278332925
Energy: 1.0660025192704166
Energy: 0.9735249833804057
Energy: 0.9495836125955706
Energy: 0.9593574278300868
Energy: 1.0660025192704166
Energy: 0.928631373027068
Energy: 0.9689422196043502
Energy: 0.9475093227009211
Energy: 0.9741470370635393
Energy: 0.928631373027068
Energy: 0.9689422196043502
Energy: 0.9475093227009211
Energy: 0.9504099577984951
Energy: 0.9348288434441678
Energy: 0.9855964163257575
Energy: 0.9315677935504942
Energy: 0.9504099577984951
Energy: 0.9348288434441678
Energy: 0.9855964163257575
Energy: 0.9056100161550763
Energy: 0.9744223278077216
Energy: 0.9469252971715518
Energy: 0.9914881162374887
Energy: 0.9056100161550763
Energy: 0.9744223278077216
Energy: 0.9469252971683462

minimum gb energy = 0.9056100161550763 eV
minimum distance =  2.31701664445343 Angstroms
sigma value = 365


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

Energy: 0.8992088608998752
Energy: 0.8255775334574592
Energy: 0.9186894956341075
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.825577533458182
Energy: 0.9186894956716909
Energy: 0.8992088608984296
Energy: 0.8255775334574592
Energy: 1.1490918486668287
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 1.1490918486668287
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.9186894954780911
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.9186894954556857
Energy: 0.8992088608984296
Energy: 0.8255775334574592
Energy: 0.9958529204597975
Energy: 0.8255775334574592
Energy: 0.8992088608984296
Energy: 0.825577533458182
Energy: 0.9958529204605202
Energy: 0.8992088608998752
Energy: 0.8255775334574592
Energy: 0.918689495397898
Energy: 0.8255775334574592
Energy: 0.8992088608998752
Energy: 0.8255775334574592
Energy: 0.9186894953726016
Energy: 0.8992088608998752
Energy: 0.8255775334574592
Energy: 0.9958529204605202
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.9958529204597975
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.9336336679822561
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.825577533458182
Energy: 0.9336336679822561
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.9958529204597975
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.825577533458182
Energy: 0.9958529204597975
Energy: 0.8992088608984296
Energy: 0.8255775334574592
Energy: 0.9336336679822561
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.9336336679822561
Energy: 0.8992088608977068
Energy: 0.8255775334574592
Energy: 0.866614847502187
Energy: 0.8255775334574592
Energy: 0.8992088608977068
Energy: 0.825577533458182
Energy: 0.8666148475014642
Energy: 0.8992088608998752
Energy: 0.825577533458182
Energy: 0.9336336679829788
Energy: 0.8255775334574592
Energy: 0.8992088608998752
Energy: 0.825577533458182
Energy: 0.9336336679829788
Energy: 0.8992088608998752
Energy: 0.8255775334574592
Energy: 0.8666148475014642
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.866614847502187
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.8666148475029098
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.825577533458182
Energy: 0.8666148475007415
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.8666148475014642
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.8666148475007415
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.866614847502187
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.8666148475029098
Energy: 0.899208860896984
Energy: 0.8255775334574592
Energy: 0.8666148475036325
Energy: 0.8255775334574592
Energy: 0.899208860896984
Energy: 0.825577533458182
Energy: 0.8666148475007415
Energy: 0.8992088608998752
Energy: 0.825577533458182
Energy: 0.866614847502187
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.8666148475029098
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.8666148475014642
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.825577533458182
Energy: 0.866614847502187
Energy: 0.8992088608991523
Energy: 0.8255775334574592
Energy: 0.8666148475014642
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.825577533458182
Energy: 0.8666148475014642
Energy: 0.8992088608991523
Energy: 0.825577533458182
Energy: 0.866614847502187
Energy: 0.8255775334574592
Energy: 0.8992088608991523
Energy: 0.825577533458182
Energy: 0.8666148475007415

minimum gb energy = 0.8255775334574592 eV
minimum distance =  2.41619512857777 Angstroms
sigma value = 23