Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
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=3.589836478233337
cohesive_energy=3.5173113226742925
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: -1.33896697780266e-24 eV

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

Energy: 0.015605277210635211
Energy: 0.34857503088372194
Energy: 0.34857503088372194
Energy: 0.015605277210635211
Energy: 0.34857503088372194
Energy: 0.34857503088372194
Energy: 0.015605277210635211
Energy: 0.34857503088372194
Energy: 0.34857503088372194
Energy: 0.015605277210635211
Energy: 0.34621899362309483
Energy: 0.01879904912252127
Energy: 0.3461850110860472
Energy: 0.34621899362309483
Energy: 0.01879904912252127
Energy: 0.3461850110860472
Energy: 0.34621899362309483
Energy: 0.01879904912252127
Energy: 0.3461850110860472
Energy: 0.34621899362309483
Energy: 0.7154615351437192
Energy: 0.6360122847863133
Energy: 0.5108985222551158
Energy: 0.7154734490817184
Energy: 0.35034343102263393
Energy: 0.20995384726326058
Energy: 0.7154615847318174
Energy: 0.01634336623485872
Energy: 0.20995384726326058
Energy: 0.7154735715604146
Energy: 0.34621899362309483
Energy: 0.34618501108458133
Energy: 0.01879904912252127
Energy: 0.34621899362309483
Energy: 0.3461850110860472
Energy: 0.01879904912252127
Energy: 0.34621899362309483
Energy: 0.34618501108458133
Energy: 0.01879904912252127
Energy: 0.34621899362309483
Energy: 0.015605277210635211
Energy: 0.34857503088372194
Energy: 0.34857503088372194
Energy: 0.015605277210635211
Energy: 0.34857503088372194
Energy: 0.34857503088372194
Energy: 0.015605277210635211
Energy: 0.34857503088372194
Energy: 0.34857503088372194
Energy: 0.015605277210635211
Energy: 0.34621899362309483
Energy: 0.01879904912252127
Energy: 0.3461850110860472
Energy: 0.34621899362309483
Energy: 0.01879904912252127
Energy: 0.3461850110860472
Energy: 0.34621899362309483
Energy: 0.01879904912252127
Energy: 0.3461850110860472
Energy: 0.34621899362309483
Energy: 0.7154678370088812
Energy: 0.20995384726326058
Energy: 0.35034343102120136
Energy: 0.7154622436026369
Energy: 0.6360122847863133
Energy: 0.6360122847863133
Energy: 0.7154619223056752
Energy: 0.35034343102120136
Energy: 0.20995384726326058
Energy: 0.7154798706973692

minimum gb energy = 0.015605277210635211 eV
minimum distance =  2.34376281451316 Angstroms
sigma value = 3


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

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Energy: 0.94968428858021
Energy: 0.9486398076025302
Energy: 0.7298710851451203
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Energy: 0.7297495870111114
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Energy: 0.7299493990542929
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Energy: 0.7301180722239873
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Energy: 1.0251733701067736
Energy: 0.7301162731255102
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Energy: 1.0251733701063817
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Energy: 0.7298710851444021
Energy: 0.94968428858021
Energy: 0.9486398076025302
Energy: 0.7298710851447286
Energy: 0.9496842885798835
Energy: 0.9486398076032484
Energy: 0.7298710851444021
Energy: 0.9496842885798835
Energy: 0.9486398076025302
Energy: 0.7298710851451203
Energy: 0.8194806884513335
Energy: 0.7305356370984665
Energy: 0.9217568934183177
Energy: 0.8194806884517253
Energy: 0.73053563709814
Energy: 0.9217568934183177
Energy: 0.8194806884517253
Energy: 0.7305356370988582
Energy: 0.9217568934187093
Energy: 0.8194806884517253
Energy: 0.7879437844757443
Energy: 0.859188935592463
Energy: 0.9751378246424098
Energy: 0.7878950444004403
Energy: 0.8591889343240755
Energy: 0.9751378246427364
Energy: 0.7879437844754178
Energy: 0.8591889303359893
Energy: 0.9751378246484811
Energy: 0.7878950444011584
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Energy: 1.0284038959589792
Energy: 0.7302510485929005
Energy: 0.950096330477453
Energy: 1.0284038959589792
Energy: 0.7302510485936187
Energy: 0.9500963304771267
Energy: 1.0284038959593707
Energy: 0.7302510485936187
Energy: 0.9500963304771267

minimum gb energy = 0.6978457595707505 eV
minimum distance =  2.37917830104504 Angstroms
sigma value = 75


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

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Energy: 0.8160355990050628
Energy: 0.8161602570017541
Energy: 0.9783739473074329
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minimum gb energy = 0.8152820873115469 eV
minimum distance =  2.26408623121983 Angstroms
sigma value = 105


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

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Energy: 0.9641890672189786
Energy: 0.969154327496508
Energy: 1.0292715110575643
Energy: 0.9641890672189786
Energy: 0.9612562368429984
Energy: 0.9338702311962295
Energy: 0.992131898763046
Energy: 0.9612562368429984
Energy: 0.9338702311966248
Energy: 0.9920879722555512
Energy: 0.9612562368433939
Energy: 0.9338702311970201
Energy: 0.9921318987632257
Energy: 0.9612562368431783
Energy: 1.0047612176718925
Energy: 0.9894959526345917
Energy: 0.9457428143581912
Energy: 1.004761217671677
Energy: 0.9894959526344118
Energy: 0.9457757513236381
Energy: 1.0066272373004816
Energy: 0.9894959526348073
Energy: 0.9457428143581912
Energy: 1.0066272373004816
Energy: 1.0054524039061234
Energy: 0.9787319062738162
Energy: 0.987453073468697
Energy: 1.0373735945838185
Energy: 0.9787319062738162
Energy: 0.9874530734685173
Energy: 1.0054524039296264
Energy: 0.978731906274032
Energy: 0.9874530734683018
Energy: 1.037373594583423
Energy: 0.955392690280985
Energy: 0.929355994170138
Energy: 1.0049338244303367
Energy: 0.9717568818652249
Energy: 0.9293559941705334
Energy: 0.9916980412946936
Energy: 0.9553926902808053
Energy: 0.9293559941703177
Energy: 1.0049338244301569
Energy: 0.9717568818654404
Energy: 0.9603179190316729
Energy: 0.9122820282954393
Energy: 0.937833827670541
Energy: 0.9603179190320682
Energy: 0.9122820282956189
Energy: 0.9378338276707567
Energy: 0.9603179190318885
Energy: 0.9122820282958346
Energy: 0.937833827670541
Energy: 0.9603179190316729
Energy: 1.0168527914525844
Energy: 1.0358567436102855
Energy: 1.00232603362892
Energy: 1.0168527914528003
Energy: 1.03585674360989
Energy: 1.0023260336293154
Energy: 1.0168527914528003
Energy: 1.0358567436092794
Energy: 1.00232603362892
Energy: 1.0168527914528003
Energy: 0.9419793844451099
Energy: 0.9976796531596906
Energy: 0.9118238203837047
Energy: 0.9419793844449301
Energy: 0.9976796531590797
Energy: 0.9118238203839204
Energy: 0.9419793844447146
Energy: 0.9976796531590797
Energy: 0.9118238203837047
Energy: 0.9419793844449301
Energy: 0.943626848419529
Energy: 1.0074151760012346
Energy: 1.0637018670997078
Energy: 0.9436245006270846
Energy: 1.0074151760008392
Energy: 1.0637018670994924
Energy: 0.9436268484197445
Energy: 1.0074151760008392
Energy: 1.0637018670990972
Energy: 0.9436245006270846
Energy: 1.0376836913895597
Energy: 0.9460182352650518
Energy: 0.9796719365596853
Energy: 1.0376836913897756
Energy: 0.946018235265447
Energy: 0.97967193655929
Energy: 1.0376836913899552
Energy: 0.946018235265447
Energy: 0.9796719365596853
Energy: 1.0376836913895597
Energy: 0.9936245818655532
Energy: 0.9768706298476594
Energy: 0.9893226584060004
Energy: 0.9927057315130249
Energy: 0.9768706298470484
Energy: 0.9893226584060004
Energy: 0.9936245818653736
Energy: 0.9768706298468688
Energy: 0.9893226584065755
Energy: 0.9927057315128093
Energy: 0.952261663685523
Energy: 0.952501623773279
Energy: 0.9124638327532335
Energy: 0.9521839297041881
Energy: 0.9524197018234256
Energy: 0.9124638327528383
Energy: 0.9522616636853433
Energy: 0.9525016237736742
Energy: 0.9124638327530538
Energy: 0.9521839297040083
Energy: 1.0006868011471053
Energy: 1.0031537881973658
Energy: 0.9674336500309971
Energy: 1.0006868011468897
Energy: 1.0031537881971864
Energy: 0.9674336500313925
Energy: 1.0006868011464944
Energy: 1.0031537881973658
Energy: 0.9674336500317878
Energy: 1.0006868011467098
Energy: 1.0293025473941266
Energy: 0.9744532185537179
Energy: 0.9847658813751516
Energy: 1.0293025473943063
Energy: 0.9744532185538977
Energy: 0.9847658813751516
Energy: 1.0293025473943063
Energy: 0.9744532185542929
Energy: 0.9847658813753672
Energy: 1.0293025473943063
Energy: 0.9835787120330043
Energy: 1.0574754884022606
Energy: 0.9731545632770374
Energy: 0.9845490006565771
Energy: 1.0574757236857584
Energy: 0.9731545632770374
Energy: 0.9845441232142317
Energy: 1.0574754884022606
Energy: 0.9731545632768578
Energy: 0.9834064265844095
Energy: 1.017771407537992
Energy: 1.00564202953825
Energy: 0.9450207809283244
Energy: 1.0177714075382076
Energy: 1.005642029538861
Energy: 0.9450207809285399
Energy: 1.017771407537992
Energy: 1.0056420295390407
Energy: 0.9450207809287196
Energy: 1.0177714075375965
Energy: 0.990487584120897
Energy: 0.9504045161273198
Energy: 0.9745469296715357
Energy: 0.9904875841206813
Energy: 0.950404516127715
Energy: 0.9745469296711403
Energy: 0.9904875841205016
Energy: 0.9504045161273198
Energy: 0.9745469296711403
Energy: 0.9904875841206813
Energy: 0.9575618157173511
Energy: 0.9523483198141866
Energy: 0.9786887749353755
Energy: 0.9575618157173511
Energy: 0.9523483198145817
Energy: 0.978688774935591
Energy: 0.9575618157175307
Energy: 0.952348319814402
Energy: 0.9786887749357708
Energy: 0.9575618157175307
Energy: 0.9375175727300143
Energy: 0.9620198894924754
Energy: 0.9765256684739311
Energy: 0.9375175727297986
Energy: 0.9620265283516253
Energy: 0.9765256684737514
Energy: 0.937517572729619
Energy: 0.9620198894924754
Energy: 0.9765256684733562
Energy: 0.9375175727297986
Energy: 1.0201896959079624
Energy: 0.9877995928119457
Energy: 0.9379335852115226
Energy: 1.0201896959081782
Energy: 0.9877966656171563
Energy: 0.9379335852109477
Energy: 1.0201896959079624
Energy: 0.9877995928121611
Energy: 0.937933585210157
Energy: 1.0201896959077827
Energy: 0.9736377551354047
Energy: 0.9801946440419742
Energy: 0.9452124154662207
Energy: 0.9736377551351891
Energy: 0.9801946440419742
Energy: 0.9452124154664006
Energy: 0.9736377551346143
Energy: 0.9801946440425493
Energy: 0.9452124154662207
Energy: 0.9736377551350094
Energy: 0.968835798165788
Energy: 1.03349835641943
Energy: 0.9642236394186939
Energy: 0.9688357981653927
Energy: 1.0335761650901436
Energy: 0.9642236394185143
Energy: 0.968835798165788
Energy: 1.0334983564196096
Energy: 0.9642236394189095
Energy: 0.9688357981659678
Energy: 0.909910749938765
Energy: 0.9889811529716818
Energy: 0.9690660024592097
Energy: 0.9099107499389448
Energy: 0.989144741886888
Energy: 0.9690660024588144
Energy: 0.9099107499389448
Energy: 0.988981152971466
Energy: 0.9690660024594252
Energy: 0.9099107499381541
Energy: 0.9378185737917167
Energy: 0.945395731322556
Energy: 1.0171098802078185
Energy: 0.9378185737917167
Energy: 0.9453936640714782
Energy: 1.0171098802072074
Energy: 0.9378185737913214
Energy: 0.9453957313221608
Energy: 1.017109880207028
Energy: 0.937818573791537

minimum gb energy = 0.9099107499381541 eV
minimum distance =  2.34660820918679 Angstroms
sigma value = 165


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

Energy: 0.8972089916166579
Energy: 0.9624540581836881
Energy: 0.9624653578450602
Energy: 0.8972089916166579
Energy: 0.9624540581843668
Energy: 0.9624653578450602
Energy: 0.8972089916166579
Energy: 0.9624540581836881
Energy: 0.9624653578457386
Energy: 0.8972089916166579
Energy: 0.8963113861330981
Energy: 0.9088297564692369
Energy: 1.0062662529027522
Energy: 0.8963113861330981
Energy: 0.9088297564692369
Energy: 1.0062662529027522
Energy: 0.8963113861330981
Energy: 0.9088297564692369
Energy: 1.0062662529027522
Energy: 0.8963113861330981
Energy: 0.9513671424520337
Energy: 1.042243381699676
Energy: 0.8763183977315465
Energy: 0.9513671424520337
Energy: 1.0422433816969618
Energy: 0.8763183996048832
Energy: 0.9513671424520337
Energy: 1.042243381699676
Energy: 0.8763184261687161
Energy: 0.9513671424520337
Energy: 0.9624978620311389
Energy: 0.9624250907121846
Energy: 0.9072796514655584
Energy: 0.9624978620311389
Energy: 0.9624250907121846
Energy: 0.9072796514655584
Energy: 0.9624978620311389
Energy: 0.9624250907121846
Energy: 0.9072796514648799
Energy: 0.9624978620311389
Energy: 0.9446926037878143
Energy: 0.9811922927131526
Energy: 0.9493946053402034
Energy: 0.9446926037878143
Energy: 0.9811922927131526
Energy: 0.9493946053402034
Energy: 0.9446926037871356
Energy: 0.9811922927131526
Energy: 0.9493946053402034
Energy: 0.9446926037878143
Energy: 0.9088174874269676
Energy: 1.063768881739931
Energy: 0.9627937325547703
Energy: 0.9088174874269676
Energy: 1.063768881739931
Energy: 0.9627937325547703
Energy: 0.9088174874269676
Energy: 1.063768881739931
Energy: 0.9627937325547703
Energy: 0.9088174874269676
Energy: 0.9624462159808713
Energy: 0.9918215172762966
Energy: 0.9626395982759639
Energy: 0.9624462159808713
Energy: 0.9918215172762966
Energy: 0.9626395982759639
Energy: 0.9624462159808713
Energy: 0.9918215172762966
Energy: 0.9626395982759639
Energy: 0.9624462159808713
Energy: 1.020756249224005
Energy: 0.9082789771648978
Energy: 0.9082786103061484
Energy: 1.020756249224005
Energy: 0.9082789771648978
Energy: 0.9082786103061484
Energy: 1.020756249224005
Energy: 0.9082789771642193
Energy: 0.9082786103061484
Energy: 1.020756249224005
Energy: 0.9624459470551895
Energy: 0.9626712358834018
Energy: 0.9917168204304445
Energy: 0.9624459470551895
Energy: 0.9626712358834018
Energy: 0.9917168204297658
Energy: 0.9624459470551895
Energy: 0.9626712358834018
Energy: 0.9917168204297658
Energy: 0.9624459470551895
Energy: 0.9090343205329938
Energy: 0.9629293981418415
Energy: 1.0636879700760185
Energy: 0.9090343205329938
Energy: 0.9629293981411631
Energy: 1.0636879700760185
Energy: 0.9090343205329938
Energy: 0.9629293981411631
Energy: 1.0636879700760185
Energy: 0.9090343205336724
Energy: 0.9446815240848655
Energy: 0.9493260695225346
Energy: 0.9811605590968139
Energy: 0.9446815240848655
Energy: 0.9493260695225346
Energy: 0.9811605590974927
Energy: 0.9446815240848655
Energy: 0.9493260695225346
Energy: 0.9811605590974927
Energy: 0.9446815240862225
Energy: 0.9624612227721673
Energy: 0.9073094641296783
Energy: 0.9627562215726297
Energy: 0.9624612227721673
Energy: 0.9073094641303567
Energy: 0.9627562215733081
Energy: 0.9624612227721673
Energy: 0.9073094641303567
Energy: 0.9627562215726297
Energy: 0.9624612227721673
Energy: 0.9513457816155629
Energy: 0.8763717018489114
Energy: 1.042155514934182
Energy: 0.9513457816155629
Energy: 0.8763717850211515
Energy: 1.042155514936865
Energy: 0.9513457816155629
Energy: 0.8763716923574044
Energy: 1.0421555149335036
Energy: 0.9513457816155629
Energy: 0.8961902199925065
Energy: 1.0061840945402596
Energy: 0.908889843309281
Energy: 0.8961902199931849
Energy: 1.0061840945402596
Energy: 0.908889843309281
Energy: 0.8961902199931849
Energy: 1.0061840945402596
Energy: 0.9088898433099595
Energy: 0.8961902199925065
Energy: 0.8972089916166579
Energy: 0.9624540581836881
Energy: 0.9624653578450602
Energy: 0.8972089916166579
Energy: 0.9624540581836881
Energy: 0.9624653578450602
Energy: 0.8972089916166579
Energy: 0.9624540581836881
Energy: 0.9624653578450602
Energy: 0.8972089916166579

minimum gb energy = 0.8763183977315465 eV
minimum distance =  2.34200963009394 Angstroms
sigma value = 41


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

Energy: 1.0979377680648328
Energy: 0.8911873979912227
Energy: 0.8851008819357035
Energy: 1.0705782326319755
Energy: 0.8911873979912227
Energy: 0.8851008819357035
Energy: 1.0979377680648328
Energy: 0.8911873979912227
Energy: 0.8851008819357035
Energy: 1.0705782326319755
Energy: 0.899780124659906
Energy: 0.7972417510931838
Energy: 0.8774938193098767
Energy: 0.899780124659906
Energy: 0.7972417510931838
Energy: 0.8774938193098767
Energy: 0.899780124659906
Energy: 0.7972417510931838
Energy: 0.8774938193098767
Energy: 0.899780124659906
Energy: 0.8556688146913242
Energy: 0.7925480027836604
Energy: 0.8288812962767999
Energy: 0.8694311589173509
Energy: 0.7925480027836604
Energy: 0.8291596331914691
Energy: 0.8672015527514112
Energy: 0.7925480027836604
Energy: 0.8288812962767999
Energy: 0.8689010768169505
Energy: 0.8071179556746206
Energy: 0.8068339218799111
Energy: 0.8662620636932257
Energy: 0.8071179556746206
Energy: 0.8068339218799111
Energy: 0.8662667612372564
Energy: 0.8071179556746206
Energy: 0.8068339218799111
Energy: 0.8662620636932257
Energy: 0.8071179556746206
Energy: 0.8270428785358428
Energy: 0.8646575874956451
Energy: 0.8276455348174412
Energy: 0.8270428785358428
Energy: 0.8646575874956451
Energy: 0.8277726528579256
Energy: 0.8270428785332101
Energy: 0.8646575874956451
Energy: 0.8276455348174412
Energy: 0.8270428785332101
Energy: 0.8631871310648793
Energy: 0.8554194075271315
Energy: 0.8570616520365407
Energy: 0.8631871310622464
Energy: 0.8554194075271315
Energy: 0.8570616520365407
Energy: 0.8631871310622464
Energy: 0.8554194075271315
Energy: 0.8570616520365407
Energy: 0.8631871310648793
Energy: 0.8174585548953152
Energy: 0.7910377213134756
Energy: 0.8940166154681328
Energy: 0.8174585548953152
Energy: 0.7910377213134756
Energy: 0.8940166154707656
Energy: 0.8174585548953152
Energy: 0.7910377213134756
Energy: 0.8940166154707656
Energy: 0.8174585548953152
Energy: 0.8681830903941985
Energy: 0.7986948409515731
Energy: 0.8430301523870488
Energy: 0.8681830903941985
Energy: 0.79870171225637
Energy: 0.8430301523870488
Energy: 0.8681830903941985
Energy: 0.7986948409515731
Energy: 0.8430301523870488
Energy: 0.8681830903941985
Energy: 0.8565443700477742
Energy: 0.8794878119933782
Energy: 0.861982343447783
Energy: 0.8565443701135447
Energy: 0.8794878119933782
Energy: 0.8617002992802953
Energy: 0.856544370110912
Energy: 0.8794878119933782
Energy: 0.8619823434451502
Energy: 0.8565443700214469
Energy: 0.803301653460619
Energy: 0.8479887598596001
Energy: 0.8894665137501507
Energy: 0.803301653460619
Energy: 0.8477221756878194
Energy: 0.8895993410310955
Energy: 0.803301653460619
Energy: 0.8479887598596001
Energy: 0.8894665137501507
Energy: 0.803301653460619
Energy: 0.8030904660653834
Energy: 0.8365181806289536
Energy: 0.8614528202184738
Energy: 0.8030904660653834
Energy: 0.8365447947802083
Energy: 0.8613652260444656
Energy: 0.803090466068016
Energy: 0.8365181806289536
Energy: 0.8614528202211067
Energy: 0.8030904660653834
Energy: 0.8023415384295256
Energy: 0.8515635991914078
Energy: 0.8668317187680002
Energy: 0.8023415384295256
Energy: 0.8515267811548883
Energy: 0.8668317187680002
Energy: 0.8023415384295256
Energy: 0.8515635991887751
Energy: 0.8668317187680002
Energy: 0.8023415384295256
Energy: 0.9098540829946049
Energy: 0.8644356033622914
Energy: 0.9015178513064012
Energy: 0.9098540829946049
Energy: 0.8644385467888148
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Energy: 0.9098540829946049
Energy: 0.8644356033649242
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Energy: 0.9098540829946049
Energy: 0.89197498773604
Energy: 0.8848840475418723
Energy: 0.8618758827720718
Energy: 0.8919749877386729
Energy: 0.8848840475418723
Energy: 0.8618758827720718
Energy: 0.8919749877386729
Energy: 0.8848840475418723
Energy: 0.8618758827720718
Energy: 0.89197498773604
Energy: 0.8009530547605621
Energy: 0.8965297269115389
Energy: 0.8166094806427132
Energy: 0.8009530547605621
Energy: 0.8965297269089063
Energy: 0.8166094806427132
Energy: 0.8009530547605621
Energy: 0.8965297269089063
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Energy: 0.8009530547605621
Energy: 0.7935133298806285
Energy: 0.8343825892567054
Energy: 0.9168267341142655
Energy: 0.7935133298806285
Energy: 0.8343825892567054
Energy: 0.9168267341116327
Energy: 0.7935133298806285
Energy: 0.8343825892567054
Energy: 0.9168267341116327
Energy: 0.7935133298806285
Energy: 0.8055107925873876
Energy: 0.8635627816268429
Energy: 0.8247181571919617
Energy: 0.8055107925873876
Energy: 0.8637873951854946
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Energy: 0.8055107925873876
Energy: 0.8635627816268429
Energy: 0.8247181571893291
Energy: 0.8055107925873876
Energy: 0.8443229504752976
Energy: 0.8911688190249729
Energy: 0.8354420673924958
Energy: 0.844468396204032
Energy: 0.8916081236875749
Energy: 0.8354420673845975
Energy: 0.8443229504752976
Energy: 0.8911688190223402
Energy: 0.8354420673872303
Energy: 0.844468396204032
Energy: 0.854140580562622
Energy: 0.8541805890273789
Energy: 0.7908137365763429
Energy: 0.854140580562622
Energy: 0.8831115498327264
Energy: 0.7908137365763429
Energy: 0.854140580562622
Energy: 0.8887577285831936
Energy: 0.7908137365763429
Energy: 0.854140580562622
Energy: 0.8180478244892103
Energy: 0.9172704349791725
Energy: 0.7980067359779132
Energy: 0.8181136905368606
Energy: 0.9172704349791725
Energy: 0.7980067359779132
Energy: 0.8180478244892103
Energy: 0.9172704349791725
Energy: 0.7980067359779132
Energy: 0.8181136905368606
Energy: 0.8614219646818616
Energy: 0.8849849255770963
Energy: 0.8853407699749042
Energy: 0.861414931496001
Energy: 0.8849849255770963
Energy: 0.8853407699749042
Energy: 0.8614219646818616
Energy: 0.8849849255770963
Energy: 0.8853407699749042
Energy: 0.861414931496001
Energy: 0.892498381908874
Energy: 0.866095543980614
Energy: 0.8551615180459164
Energy: 0.8924983818772811
Energy: 0.866095543980614
Energy: 0.8551615179564512
Energy: 0.8924983819115068
Energy: 0.866095543980614
Energy: 0.8551615180116908
Energy: 0.8924983818930775
Energy: 0.8448416163520389
Energy: 0.8386428761322431
Energy: 0.7976679575938762
Energy: 0.8448417417174015
Energy: 0.8386428761322431
Energy: 0.7976679575938762
Energy: 0.8448416042204754
Energy: 0.8386428761296103
Energy: 0.8446368071706312
Energy: 0.8448416940096416
Energy: 0.8371965624467486
Energy: 0.8611125991763654
Energy: 0.8009149573496145
Energy: 0.8371965624467486
Energy: 0.8611125991763654
Energy: 0.8009149573496145
Energy: 0.8371965624467486
Energy: 0.8611125991763654
Energy: 0.8009149573496145
Energy: 0.8371965624467486
Energy: 0.8597311106407601
Energy: 0.8739948725057141
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Energy: 0.8029206119460449
Energy: 0.8597311106407601
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Energy: 0.8448793991650394
Energy: 0.8617511199874157
Energy: 0.8563973953717647
Energy: 0.8552606302912191
Energy: 0.8617511199874157
Energy: 0.8563973953717647
Energy: 0.8448793991624068
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Energy: 0.8563973953717647
Energy: 0.8552606302833209
Energy: 0.8767826845834761
Energy: 0.790644887716628
Energy: 0.8957858913122757
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Energy: 0.861666758779568
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Energy: 0.8616667588269573
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Energy: 0.8647819339408896
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Energy: 0.8590299051097815
Energy: 0.864550210717763
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Energy: 0.8084256657231188
Energy: 1.0131311989349077
Energy: 0.826999647858705
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Energy: 1.0131311989349077
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Energy: 0.8273892796857644
Energy: 0.8093722271367144
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Energy: 0.8315493084326658
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Energy: 0.8718863216241348
Energy: 0.8315493084352985
Energy: 0.8946203606191006
Energy: 0.7948283438470584
Energy: 0.8601371921639523
Energy: 0.8946203606191006
Energy: 0.7948283438470584
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Energy: 0.8946203606191006
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Energy: 0.8601371921639523
Energy: 0.8946203606191006
Energy: 0.891798528463585
Energy: 0.8868948997200464
Energy: 1.0689256773298297
Energy: 0.891798528463585
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Energy: 1.0688801868737505
Energy: 0.891798528463585
Energy: 0.8868948997200464
Energy: 1.0689256773271971
Energy: 0.891798528463585
Energy: 0.8007058935864145
Energy: 0.8621838833701544
Energy: 0.8805044603251562
Energy: 0.8007058935890472
Energy: 0.8620328647162169
Energy: 0.8807456491361049
Energy: 0.8007058935890472
Energy: 0.8621838833701544
Energy: 0.8805044603251562
Energy: 0.8007058935864145
Energy: 0.80261113223278
Energy: 0.8648069894741928
Energy: 0.8791850484789361
Energy: 0.80261113223278
Energy: 0.864794889127192
Energy: 0.8792315071815894
Energy: 0.80261113223278
Energy: 0.8648069894768255
Energy: 0.8791850484789361
Energy: 0.80261113223278
Energy: 0.8038518566892164
Energy: 0.8649247510577942
Energy: 0.8077643330916351
Energy: 0.8038518566892164
Energy: 0.8646707364392524
Energy: 0.8077643330916351
Energy: 0.8038518566892164
Energy: 0.8649247510603791
Energy: 0.8077643330916351
Energy: 0.8038518566892164
Energy: 0.8663577553069326
Energy: 0.8272124935697288
Energy: 0.8550365801546582
Energy: 0.8663577553069326
Energy: 0.8272136885233844
Energy: 0.8550365801546582
Energy: 0.8663577553069326
Energy: 0.8272124935697288
Energy: 0.8550365801546582
Energy: 0.8663577553069326
Energy: 0.8539110513133752
Energy: 0.8547329301325158
Energy: 0.8622209850523275
Energy: 0.8539110513133752
Energy: 0.8547329301325158
Energy: 0.8622209850496948
Energy: 0.8539110513133752
Energy: 0.8547329301298832
Energy: 0.8622209850496948
Energy: 0.8539110513133752

minimum gb energy = 0.790644887716628 eV
minimum distance =  2.29582854201231 Angstroms
sigma value = 185


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

Energy: 0.6829715895706006
Energy: 0.437958944618668
Energy: 0.4377212070664622
Energy: 0.4230213888677594
Energy: 0.437958944618668
Energy: 0.43772120706583717
Energy: 0.6829715895702879
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Energy: 0.4230213888677594
Energy: 0.6322385877495298
Energy: 0.42957911858704956
Energy: 0.5354601454648785
Energy: 0.578668310477307
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Energy: 0.7227550668186344
Energy: 0.6322385877498423
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Energy: 0.5786683104779321
Energy: 0.42273236760602995
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Energy: 0.4424303692650462
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Energy: 0.6221348807671627
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Energy: 0.4688289280109434
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Energy: 0.6409296109435098
Energy: 0.43059203269972907
Energy: 0.5819148138898095
Energy: 0.6409296109431973
Energy: 0.43059203269972907
Energy: 0.6038827872348629
Energy: 0.4230816104337437
Energy: 0.437958944618668
Energy: 0.4377212070664622
Energy: 0.42309790734640146
Energy: 0.4379589446189806
Energy: 0.43772120706614964
Energy: 0.4230816104334312
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Energy: 0.43772120706583717
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Energy: 0.6054540194040213
Energy: 0.42957911858704956
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Energy: 0.6862678424457522
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Energy: 0.45489940356689484
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Energy: 0.668957363417697
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Energy: 0.43763876509836336
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Energy: 0.5693355003826535
Energy: 0.6689573634173843
Energy: 0.4380041381098471
Energy: 0.43155380283056327
Energy: 0.4686741114931418
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Energy: 0.5402028540890538
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Energy: 0.6708732841345116
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Energy: 0.43855623590502935
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Energy: 0.43855623590502935
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Energy: 0.43855623590534193
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Energy: 0.4633137155131323
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Energy: 0.42515864520935814
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Energy: 0.5949700956029944
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Energy: 0.43032461447499826
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Energy: 0.4380041381098471
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Energy: 0.5956129095867086
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Energy: 0.5956129095867086
Energy: 0.6708732841345116
Energy: 0.43855623590502935
Energy: 0.5688839435932559
Energy: 0.6766032261064812
Energy: 0.43855623590471693
Energy: 0.5955298433726649
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Energy: 0.43855623590502935
Energy: 0.5688839435935685
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Energy: 0.43855623590534193
Energy: 0.6688708325582845
Energy: 0.5403646523151394
Energy: 0.45558699600301855
Energy: 0.6688708325576593
Energy: 0.4688289280109434
Energy: 0.455586996003331
Energy: 0.6688708325573469
Energy: 0.5403646523157646
Energy: 0.45558699600301855
Energy: 0.6688708325579719
Energy: 0.4300696680978921
Energy: 0.6217100071998012
Energy: 0.4374605150505922
Energy: 0.5116441907603188
Energy: 0.5949700956029944
Energy: 0.43746051505027966
Energy: 0.43006966809851715
Energy: 0.6217100072001137
Energy: 0.43746051504996714
Energy: 0.5116441907600062
Energy: 0.46146124588520626
Energy: 0.4682218778763219
Energy: 0.43032461447499826
Energy: 0.4614484458242255
Energy: 0.46840824405839615
Energy: 0.43032461447531073
Energy: 0.46146124588520626
Energy: 0.4682218778763219
Energy: 0.43032461447499826
Energy: 0.461448445823913
Energy: 0.5819148138913721
Energy: 0.6409296109435098
Energy: 0.43059203270004154
Energy: 0.6038827872358006
Energy: 0.6409296109435098
Energy: 0.43059203269972907
Energy: 0.5819148138898095
Energy: 0.6409296109431973
Energy: 0.43059203269972907
Energy: 0.6038827872348629

minimum gb energy = 0.42273236760602995 eV
minimum distance =  2.38067783289494 Angstroms
sigma value = 33


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

Energy: 0.7920892950749749
Energy: 0.7869707794707269
Energy: 0.7865260214922783
Energy: 0.7352786754017813
Energy: 0.7869707794690114
Energy: 0.7865260214922783
Energy: 0.7920892950749749
Energy: 0.7869707794707269
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Energy: 0.7352786754017813
Energy: 0.8226462648309055
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Energy: 0.7848689600204835
Energy: 0.7531819315520469
Energy: 0.7802406192504723
Energy: 0.7993249739076098
Energy: 0.7531819315520469
Energy: 0.7954963921612793
Energy: 0.7848689600204835
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Energy: 0.7822536397040157
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Energy: 0.7456501305488795
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Energy: 0.7764134238405308
Energy: 0.8333289813387946
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Energy: 0.8383673127030404
Energy: 0.7466619358293013
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Energy: 0.7921213141794359
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Energy: 0.8465404492547699
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Energy: 0.7921213141811516
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Energy: 0.7876489561032052
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Energy: 0.7889921937072492
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Energy: 0.7567111672164804
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Energy: 0.8316964876356354
Energy: 0.7567111672164804
Energy: 0.8016456142366387
Energy: 0.8127225237182154
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Energy: 0.7740417046155212
Energy: 0.831696487637351
Energy: 0.7567111672164804
Energy: 0.7478914767776345
Energy: 0.7964026602451069
Energy: 0.7965535270435831
Energy: 0.7478914767776345
Energy: 0.7964478312165872
Energy: 0.7965323339941882
Energy: 0.7478914767776345
Energy: 0.7964026602451069
Energy: 0.7965535270418986
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Energy: 0.7597156773573978
Energy: 0.7777836250481406
Energy: 0.7781202367781767
Energy: 0.7597156773573978
Energy: 0.7912046811437381
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Energy: 0.7597156773573978
Energy: 0.7777836250481406
Energy: 0.7781202367781767
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Energy: 0.7875099376703283
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Energy: 0.7172412605756058
Energy: 0.7875099376703283
Energy: 0.7727833344370264
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Energy: 0.7880663826362658
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Energy: 0.7824136264494125
Energy: 0.8495545349292597
Energy: 0.7981095286999916
Energy: 0.7880663826362658
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Energy: 0.7981095286999916
Energy: 0.7908001768283718
Energy: 0.7743590599370342
Energy: 0.7836342003661672
Energy: 0.7908001768283718
Energy: 0.7743590599387499
Energy: 0.7836342003661672
Energy: 0.7908001768283718
Energy: 0.7743590599387499
Energy: 0.7836342003678828
Energy: 0.7908001768283718
Energy: 0.7871982966251556
Energy: 0.791388703678673
Energy: 0.7639351114590934
Energy: 0.7871982966251556
Energy: 0.791388703678673
Energy: 0.7639351114608091
Energy: 0.7871982966251556
Energy: 0.7913887036803886
Energy: 0.7639351114608091
Energy: 0.7871982966251556
Energy: 0.7524675861806869
Energy: 0.7367780090378497
Energy: 0.8315337751887966
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Energy: 0.7367780090395654
Energy: 0.8315337751887966
Energy: 0.7524675861806869
Energy: 0.7367780090378497
Energy: 0.8315337751887966
Energy: 0.7524675861806869

minimum gb energy = 0.7168272798694553 eV
minimum distance =  2.28479939462766 Angstroms
sigma value = 219


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

Energy: 0.9228418400189486
Energy: 1.015072674824795
Energy: 1.0151993671374377
Energy: 0.9228418400189486
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Energy: 1.0151993671363022
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Energy: 0.9654287342305846
Energy: 0.9458695749725244
Energy: 0.9637813103393337
Energy: 0.9485092228326043
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Energy: 0.9485092228326043
Energy: 0.9347407521750393
Energy: 1.042679607011971
Energy: 0.9506799779491518
Energy: 1.0549762634430102
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Energy: 0.9243604777527658
Energy: 1.0425062607433775
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Energy: 0.9243604777527658
Energy: 0.9217039697699062
Energy: 0.9552338524536966
Energy: 0.9348145292660204
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Energy: 0.9552338524525612
Energy: 0.9348145292660204
Energy: 0.9217039697699062
Energy: 0.9552338524525612
Energy: 0.9348145292660204
Energy: 0.9217039697699062
Energy: 0.9216754592472075
Energy: 1.0554078145948076
Energy: 1.0489906503313977
Energy: 0.921675459248343
Energy: 1.0554078145936723
Energy: 1.0489906503313977
Energy: 0.921675459248343
Energy: 1.0554078145936723
Energy: 1.0489906503313977
Energy: 0.9216754592472075
Energy: 0.9843664762200058
Energy: 1.001919639325862
Energy: 1.014761922154317
Energy: 0.9843664762200058
Energy: 1.001919639325862
Energy: 1.014761922154317
Energy: 0.9843664762200058
Energy: 1.001919639325862
Energy: 1.014761922154317
Energy: 0.9843664762200058

minimum gb energy = 0.9216754592472075 eV
minimum distance =  2.32572826924714 Angstroms
sigma value = 15


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

Energy: 1.1048182905691941
Energy: 1.081725170378586
Energy: 1.0932482704867752
Energy: 1.0842748649444585
Energy: 1.08172517038068
Energy: 1.0932482704867752
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Energy: 1.1054946868010591
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Energy: 1.1579602315483108
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Energy: 1.1579602315483108
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Energy: 1.0696701075854562
Energy: 1.157960231550405
Energy: 1.1054946868010591
Energy: 1.0737370266831727
Energy: 1.137267250320637
Energy: 1.07441304118443
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Energy: 1.137267250320637
Energy: 1.0744130411823358
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Energy: 1.137267250320637
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Energy: 1.0737370266831727
Energy: 1.1099316824574954
Energy: 1.0653234019550681
Energy: 1.1273581447119407
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Energy: 1.0653608728650863
Energy: 1.1273581447119407
Energy: 1.1099316824595513
Energy: 1.0653234019550681
Energy: 1.1273581447119407
Energy: 1.1099316824574954
Energy: 1.0803469666269925
Energy: 1.1302700675085913
Energy: 1.1054095152449923
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Energy: 1.1302700675085913
Energy: 1.1054095152449923
Energy: 1.0803469666269925
Energy: 1.1302700675106854
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Energy: 1.0803469666269925
Energy: 1.0585403816176508
Energy: 1.0553553244680325
Energy: 1.073917150124562
Energy: 1.0585403816176508
Energy: 1.0553553244701266
Energy: 1.0739239095425712
Energy: 1.0585403816155567
Energy: 1.0553553244701266
Energy: 1.073917150124562
Energy: 1.0585403816155567
Energy: 1.0771725092015896
Energy: 1.1044133958450895
Energy: 1.122372538028913
Energy: 1.0771725092015896
Energy: 1.1123066048774715
Energy: 1.122372538028913
Energy: 1.0785947267194411
Energy: 1.1136140958958813
Energy: 1.122372538028913
Energy: 1.0785947267215734
Energy: 1.1267779099818362
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minimum gb energy = 1.0526975107032563 eV
minimum distance =  2.27643167534687 Angstroms
sigma value = 293


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

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Energy: 1.040604651998898
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Energy: 1.0398748355843535
Energy: 1.1125863300292493
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Energy: 1.112586330029762
Energy: 1.1466136944757948
Energy: 1.0398748355846101
Energy: 1.18417616669526
Energy: 1.0712607806593815
Energy: 1.0449561293681393
Energy: 1.1841761666950035
Energy: 1.0712607806596381
Energy: 1.0449166460981323
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Energy: 1.0712607806598944
Energy: 1.0449561293683955
Energy: 1.18417616669526
Energy: 1.1097269605260023
Energy: 1.1730292431506941
Energy: 1.0455989879146084
Energy: 1.1097269605260023
Energy: 1.1730292431509508
Energy: 1.0455989879143517
Energy: 1.1097269605262587
Energy: 1.1730292431499245
Energy: 1.0455989879140954
Energy: 1.1097269605262587
Energy: 1.0616038093179774
Energy: 1.0625558490601372
Energy: 1.0452360201861135
Energy: 1.0616038093187468
Energy: 1.0625558490603935
Energy: 1.0452360201856006
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Energy: 1.0393933734991612
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Energy: 1.1185529599977444
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Energy: 1.109061108402574
Energy: 1.0759190947747166
Energy: 1.0790459505567294
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Energy: 1.0759190947742039
Energy: 1.079045950556473
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Energy: 1.0693178353589279
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Energy: 1.0394184675717937
Energy: 1.0948435684736448
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Energy: 1.0948435684733882
Energy: 1.110236308252063
Energy: 1.0666835713537197
Energy: 1.0451074774298128
Energy: 1.06700804373936
Energy: 1.0666835713534635
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Energy: 1.06700804373936
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Energy: 1.067008043739873
Energy: 1.0666835713534635
Energy: 1.1065148758068886
Energy: 1.0454383990679703
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Energy: 1.1595348899249975
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Energy: 1.1661608858838648
Energy: 1.045100718867275
Energy: 1.0767438132480047
Energy: 1.1661608858841213
Energy: 1.0451007188675314
Energy: 1.0767438132480047
Energy: 1.1661608858841213
Energy: 1.0451007188675314
Energy: 1.0767438132477483
Energy: 1.1661608858841213
Energy: 1.0408618322249912
Energy: 1.1405317006212958
Energy: 1.1179394150964885
Energy: 1.0408618322247347
Energy: 1.1405317006210394
Energy: 1.1179924505890393
Energy: 1.0408618322255043
Energy: 1.1405317006210394
Energy: 1.1179394150964885
Energy: 1.0408618322255043
Energy: 1.0402844648299745
Energy: 1.0396826410850506
Energy: 1.087498044445137
Energy: 1.0402844648299745
Energy: 1.039682641085307
Energy: 1.0874980444441111
Energy: 1.0402844648299745
Energy: 1.0396826410855633
Energy: 1.0874980444448805
Energy: 1.040284464830231
Energy: 1.1523764131782983
Energy: 1.083668937144373
Energy: 1.0836603438918695
Energy: 1.1523764131782983
Energy: 1.083668937144373
Energy: 1.0836603438921257
Energy: 1.1523764131785545
Energy: 1.0836689371441168
Energy: 1.0836603438923824
Energy: 1.1523764131788112
Energy: 1.0406046519986418
Energy: 1.0868012121145845
Energy: 1.056842703470403
Energy: 1.040604651998898
Energy: 1.086801212114841
Energy: 1.0568427034701464
Energy: 1.040604651998898
Energy: 1.086801212114841
Energy: 1.056842703470403
Energy: 1.0406046519986418
Energy: 1.0398748355846101
Energy: 1.1125863300292493
Energy: 1.1466136944757948
Energy: 1.0398748355846101
Energy: 1.112586330029762
Energy: 1.1466136944757948
Energy: 1.0398748355851228
Energy: 1.112586330029762
Energy: 1.146613694476051
Energy: 1.0398748355848664
Energy: 1.1841761666950035
Energy: 1.0712607806596381
Energy: 1.0449371763254123
Energy: 1.1841761666950035
Energy: 1.0712607806596381
Energy: 1.0451323975618996
Energy: 1.18417616669526
Energy: 1.0712607806598944
Energy: 1.0449371763254123
Energy: 1.18417616669526
Energy: 1.1097269605260023
Energy: 1.1730292431506941
Energy: 1.0455989879143517
Energy: 1.1097269605262587
Energy: 1.1730292431509508
Energy: 1.0455989879140954
Energy: 1.1097269605262587
Energy: 1.1730292431504379
Energy: 1.0455989879140954
Energy: 1.1097269605262587

minimum gb energy = 1.039393373498905 eV
minimum distance =  2.27411315972109 Angstroms
sigma value = 293


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

Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.048313751744142
Energy: 1.0466398024711088
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024711088
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.1415367298693493
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.141536729868422
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.1415367298712034
Energy: 1.0474096758425222
Energy: 1.1416542976995827
Energy: 1.0476529751441868
Energy: 1.0474067118703996
Energy: 1.141654297690312
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Energy: 1.0474067118703996
Energy: 1.1416542976893846
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Energy: 1.1416542976893846
Energy: 1.0488854357473487
Energy: 1.048554430107006
Energy: 1.0466849683773667
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Energy: 1.0485544301074696
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Energy: 1.0488854357478121
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Energy: 1.0488854357473487
Energy: 1.0494513367979486
Energy: 1.0494519209516315
Energy: 1.0483137517436787
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.0483137517436787
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024711088
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0473437773821725
Energy: 1.1415367298651773
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.141536729867495
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.1415367298628598
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.0476529751441868
Energy: 1.0474067118703996
Energy: 1.141654297687067
Energy: 1.0476529751446502
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Energy: 1.141654297690312
Energy: 1.0476529751441868
Energy: 1.0474067118703996
Energy: 1.141654297687994
Energy: 1.0476529751441868
Energy: 1.048554430107006
Energy: 1.0466849683773667
Energy: 1.0488854357473487
Energy: 1.048554430107006
Energy: 1.0466849683773667
Energy: 1.0488854357473487
Energy: 1.0485544301074696
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Energy: 1.0488854357473487
Energy: 1.048554430107006
Energy: 1.0494519209516315
Energy: 1.0483137517436787
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.1415367298647139
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.1415367298586876
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.1415367298651773
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.1415367298586876
Energy: 1.0474067118703996
Energy: 1.1416542976815045
Energy: 1.0476529751441868
Energy: 1.0474067118703996
Energy: 1.1416542976838222
Energy: 1.0476529751441868
Energy: 1.0474067118703996
Energy: 1.1416542976833588
Energy: 1.0476529751441868
Energy: 1.0474067118703996
Energy: 1.0466849683773667
Energy: 1.0488854357473487
Energy: 1.0485544301074696
Energy: 1.0466849683773667
Energy: 1.0488854357473487
Energy: 1.0485544301074696
Energy: 1.0466849683773667
Energy: 1.0488854357478121
Energy: 1.0485544301074696
Energy: 1.0466849683778299
Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.0483137517436787
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.048313751744142
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.1415367298540522
Energy: 1.0474096758425222
Energy: 1.047343777381709
Energy: 1.1415367298563701
Energy: 1.0474096758425222
Energy: 1.0473437773812453
Energy: 1.1415367298531252
Energy: 1.0474096758425222
Energy: 1.141654297688921
Energy: 1.0476529751441868
Energy: 1.0474067118703996
Energy: 1.1416542976796504
Energy: 1.0476529751441868
Energy: 1.0474067118703996
Energy: 1.1416542976796504
Energy: 1.0476529751441868
Energy: 1.0474067118703996
Energy: 1.1416542976777961
Energy: 1.0488854357473487
Energy: 1.048554430107006
Energy: 1.0466849683773667
Energy: 1.0488854357473487
Energy: 1.0485544301074696
Energy: 1.0466849683773667
Energy: 1.0488854357473487
Energy: 1.048554430107006
Energy: 1.0466849683773667
Energy: 1.0488854357473487
Energy: 1.0494513367979486
Energy: 1.0494519209516315
Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.0494519209511681
Energy: 1.048313751744142
Energy: 1.0494513367979486
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137
Energy: 1.0488170085107758
Energy: 1.0466398024715724
Energy: 1.048551231800137

minimum gb energy = 1.0466398024711088 eV
minimum distance =  2.32927301462423 Angstroms
sigma value = 15


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

Energy: 1.0642616765857194
Energy: 1.103890668977485
Energy: 1.0928840053844058
Energy: 1.030938534400668
Energy: 1.103890668977485
Energy: 1.0928840053865072
Energy: 1.0642616765836181
Energy: 1.1038906689795864
Energy: 1.0928840053844058
Energy: 1.030938534400668
Energy: 1.0370522345924649
Energy: 1.0365077320383682
Energy: 1.0250696588667534
Energy: 1.0370522345924649
Energy: 1.0365077320362668
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Energy: 1.0620672022970135
Energy: 1.0540478369635977
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Energy: 1.019886488703404
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Energy: 1.0118486886199987
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Energy: 1.011801565110332
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Energy: 1.0118486886199987
Energy: 1.1856439381224628
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Energy: 1.151901000384548
Energy: 1.0149073609377048
Energy: 1.0646730360343262
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Energy: 1.0120348236953867
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Energy: 1.0248375385600323
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Energy: 1.1463452361655047
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Energy: 1.0359690985524836
Energy: 1.1481040093886745
Energy: 1.0254790618400673
Energy: 1.0359690985503827
Energy: 1.1481040093886745
Energy: 1.0254790618400673
Energy: 1.0359690985503827
Energy: 1.1481040093865735
Energy: 1.0254790618400673
Energy: 1.071326006128575
Energy: 1.0976529866385716
Energy: 1.1088575479907126
Energy: 1.0379226122258312
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Energy: 1.071326006128575
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Energy: 1.0367874693624293
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Energy: 1.0421484981815348
Energy: 1.0501264958952328
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Energy: 1.0273212131103686
Energy: 1.0421484988704315
Energy: 1.0501264958973338
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Energy: 1.1463216881224896
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Energy: 1.0647011822704557
Energy: 1.1463216881245908
Energy: 1.070595294404013
Energy: 1.0370802016742002
Energy: 1.1647702232376715
Energy: 1.070595294404013
Energy: 1.0370802016742002
Energy: 1.1647702232376715
Energy: 1.070595294404013
Energy: 1.0370802016742002
Energy: 1.1647702232376715
Energy: 1.070595294404013
Energy: 1.0810661042775198
Energy: 1.0755381672071118
Energy: 1.0154172092449893
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Energy: 1.0755381672071118
Energy: 1.0154172092449893
Energy: 1.0810661042775198
Energy: 1.0755381672050106
Energy: 1.0154172092449893
Energy: 1.0810661042775198
Energy: 1.053425766224067
Energy: 1.0558736953459862
Energy: 1.0916936988071486
Energy: 1.0534474659975588
Energy: 1.0558752225048407
Energy: 1.0916936988071486
Energy: 1.0534257662261683
Energy: 1.0558736953459862
Energy: 1.0916936988071486
Energy: 1.0534474659996602
Energy: 1.0189771375809396
Energy: 1.0242229627089194
Energy: 1.0079930791421552
Energy: 1.0189771375830408
Energy: 1.0242229627089194
Energy: 1.007993079140054
Energy: 1.0189771375830408
Energy: 1.0242229627089194
Energy: 1.0079930791421552
Energy: 1.0189771375809396
Energy: 1.101509537197546
Energy: 1.0674988486957144
Energy: 1.0666046464054504
Energy: 1.1015095371954449
Energy: 1.0674988486957144
Energy: 1.0666046464054504
Energy: 1.101509537197546
Energy: 1.0674988486957144
Energy: 1.0666046464054504
Energy: 1.101509537197546
Energy: 1.035343639328894
Energy: 1.1053221597931633
Energy: 1.0249157065640617
Energy: 1.0353603262528193
Energy: 1.1053221597931633
Energy: 1.0249157065640617
Energy: 1.035343639328894
Energy: 1.1053221597931633
Energy: 1.0249157065619605
Energy: 1.0353603262528193
Energy: 1.0922346214051752
Energy: 1.004563417845236
Energy: 1.0873552320242976
Energy: 1.0922346214051752
Energy: 1.004563417845236
Energy: 1.0873552320242976
Energy: 1.0922346214051752
Energy: 1.004563417845236
Energy: 1.0873552320242976
Energy: 1.0922346214051752
Energy: 1.126285062093148
Energy: 1.1391576022707808
Energy: 1.1900032504644626
Energy: 1.126285062093148
Energy: 1.1391576022686793
Energy: 1.1900032504644626
Energy: 1.1262850620910465
Energy: 1.1391576022686793
Energy: 1.1900032504644626
Energy: 1.126285062093148
Energy: 1.080569845979595
Energy: 1.0120828854123183
Energy: 1.0753070554267912
Energy: 1.0792483857183723
Energy: 1.012080322336321
Energy: 1.0753070554267912
Energy: 1.080569845979595
Energy: 1.0120828854144195
Energy: 1.0753070554267912
Energy: 1.0792483857183723
Energy: 1.0339307348446238
Energy: 1.0137600245877065
Energy: 1.1398007451918504
Energy: 1.0339307348446238
Energy: 1.0137600245856053
Energy: 1.1398007451918504
Energy: 1.0339307348446238
Energy: 1.0137600245856053
Energy: 1.1398007451918504
Energy: 1.0339307348446238
Energy: 1.0909776188372025
Energy: 1.1064497284282186
Energy: 1.0285078017684899
Energy: 1.0909776188393037
Energy: 1.1064497284282186
Energy: 1.028489911949938
Energy: 1.0909776188393037
Energy: 1.1064497284282186
Energy: 1.0285078017684899
Energy: 1.0909776188393037
Energy: 1.0057454978153677
Energy: 1.1045414039176387
Energy: 1.1506098859682299
Energy: 1.0057454978153677
Energy: 1.1045414039176387
Energy: 1.150609885970331
Energy: 1.0057454978153677
Energy: 1.1045414039176387
Energy: 1.1506098859682299
Energy: 1.0057454978153677
Energy: 1.063688887085742
Energy: 1.1463415857171582
Energy: 1.0613551823983978
Energy: 1.0306625275086594
Energy: 1.1463415857192591
Energy: 1.0613551823983978
Energy: 1.0636888870836405
Energy: 1.1463415857192591
Energy: 1.0613551823983978
Energy: 1.0306625275086594
Energy: 1.0633880637468534
Energy: 1.0926906914225387
Energy: 1.1345100936982258
Energy: 1.029936097270751
Energy: 1.0926906914225387
Energy: 1.1393454763529673
Energy: 1.0633880637468534
Energy: 1.0926906914225387
Energy: 1.1345100936982258
Energy: 1.02993609726865
Energy: 1.0074460003687011
Energy: 1.1074742312532353
Energy: 1.0789883892821364
Energy: 1.0074460003687011
Energy: 1.1074742312532353
Energy: 1.0789883892842376
Energy: 1.0074460003687011
Energy: 1.1074742312532353
Energy: 1.0789883892842376
Energy: 1.0074460003665997
Energy: 1.0121961566827962
Energy: 1.029589236461757
Energy: 1.0158867934072884
Energy: 1.0121961566827962
Energy: 1.0295892364638581
Energy: 1.0158867934072884
Energy: 1.0121961566827962
Energy: 1.0295892364638581
Energy: 1.0158867934072884
Energy: 1.0121961566827962
Energy: 1.0353881331886914
Energy: 1.150030597021709
Energy: 1.0094532184476266
Energy: 1.0353881331886914
Energy: 1.150030597021709
Energy: 1.0095292567440644
Energy: 1.0353881331886914
Energy: 1.150030597021709
Energy: 1.0094532184497278
Energy: 1.0353881331886914
Energy: 1.1876669465749705
Energy: 1.0897697210579023
Energy: 1.011915925272346
Energy: 1.1876669465749705
Energy: 1.0897697210579023
Energy: 1.011915925272346
Energy: 1.1876669465749705
Energy: 1.0897697210579023
Energy: 1.011915925272346
Energy: 1.1876669465728693
Energy: 1.0175945542460922
Energy: 1.157118555934122
Energy: 1.110662344296817
Energy: 1.017594554243991
Energy: 1.157118555934122
Energy: 1.1106623442947157
Energy: 1.017594554243991
Energy: 1.157118555934122
Energy: 1.1106623442947157
Energy: 1.017594554243991
Energy: 1.160288204632556
Energy: 1.0929735177218163
Energy: 1.0051296845024726
Energy: 1.160288204632556
Energy: 1.0929735177218163
Energy: 1.0051296845024726
Energy: 1.160288204632556
Energy: 1.092973517719715
Energy: 1.0051296845024726
Energy: 1.160288204632556
Energy: 1.0360862088077534
Energy: 1.0971943659502006
Energy: 1.0670722782232753
Energy: 1.0360862088077534
Energy: 1.0971943659502006
Energy: 1.0670722782211741
Energy: 1.0360862088077534
Energy: 1.0971943659502006
Energy: 1.0670722782211741
Energy: 1.0360862088077534
Energy: 1.1497571125336012
Energy: 1.0348856968023399
Energy: 1.0347491967734743
Energy: 1.1497571125336012
Energy: 1.0348856968023399
Energy: 1.0347491967755755
Energy: 1.1497571125315003
Energy: 1.0348856968044413
Energy: 1.0347491967734743
Energy: 1.1497571125315003
Energy: 1.0745902875807922
Energy: 1.006584986138513
Energy: 1.1065232445244597
Energy: 1.0745902875807922
Energy: 1.0065849861364118
Energy: 1.1065232445244597
Energy: 1.0745902875786912
Energy: 1.006584986138513
Energy: 1.1065232445244597
Energy: 1.0745902875807922
Energy: 1.0537459052978635
Energy: 1.1838985707434833
Energy: 1.0540207508642978
Energy: 1.0537459052957623
Energy: 1.1838985707434833
Energy: 1.0540207508642978
Energy: 1.0537459052957623
Energy: 1.1838985707434833
Energy: 1.0540207508642978
Energy: 1.0537459052978635
Energy: 1.042018899234061
Energy: 1.0119618209149248
Energy: 1.0611931062867876
Energy: 1.042018899234061
Energy: 1.0119618995288986
Energy: 1.0611931062867876
Energy: 1.042018899234061
Energy: 1.0119618209149248
Energy: 1.0611931062867876
Energy: 1.042018899234061
Energy: 1.0354091793341675
Energy: 1.0255289103425838
Energy: 1.1492037472738985
Energy: 1.0354091793362687
Energy: 1.0255289103425838
Energy: 1.1492037472738985
Energy: 1.0354091793341675
Energy: 1.0255289103404823
Energy: 1.1492037472738985
Energy: 1.0354091793341675
Energy: 1.0407998500185955
Energy: 1.0702111460545443
Energy: 1.0250044091959873
Energy: 1.0407998500185955
Energy: 1.0702111460545443
Energy: 1.0247966709059717
Energy: 1.0407998500185955
Energy: 1.0702111460524428
Energy: 1.0250044091980883
Energy: 1.0407998500185955
Energy: 1.0053383894860366
Energy: 1.056472754056107
Energy: 1.0541018572870657
Energy: 1.0053383894839354
Energy: 1.056472754056107
Energy: 1.0541018572870657
Energy: 1.0053383894839354
Energy: 1.056472754056107
Energy: 1.0541018572849645
Energy: 1.0053383894839354
Energy: 1.063390740429803
Energy: 1.1460189808424415
Energy: 1.016260381956096
Energy: 1.0303013059501869
Energy: 1.1460189808424415
Energy: 1.016260381953995
Energy: 1.063390740429803
Energy: 1.1460189808424415
Energy: 1.0162603819497924
Energy: 1.0303013059501869

minimum gb energy = 1.004563417845236 eV
minimum distance =  2.27764711277019 Angstroms
sigma value = 437


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

Energy: 0.9718735759203477
Energy: 0.9731017338028661
Energy: 0.9726896275762118
Energy: 0.9718735759196169
Energy: 0.9731017338028661
Energy: 0.9726896275769774
Energy: 0.9718735759196169
Energy: 0.9731017338028661
Energy: 0.9726896275769774
Energy: 0.9718735759196169
Energy: 1.0020309887346102
Energy: 0.9516973699157893
Energy: 0.962680040550637
Energy: 1.0020309887353758
Energy: 0.9516973699157893
Energy: 0.962680040550637
Energy: 1.0020309887353758
Energy: 0.9516973699157893
Energy: 0.962680040550637
Energy: 1.0020309887346102
Energy: 1.0682035599568165
Energy: 0.9434558842577796
Energy: 1.0509443432766716
Energy: 1.0682035599568165
Energy: 0.9434558842577796
Energy: 1.0509116959450835
Energy: 1.0682035599568165
Energy: 0.9434558842577796
Energy: 1.0509532037596028
Energy: 1.0682035599568165
Energy: 0.992348097182546
Energy: 1.0680661116087076
Energy: 0.99504565454445
Energy: 0.992348097182546
Energy: 1.0680661116087076
Energy: 0.99504565454445
Energy: 0.992348097182546
Energy: 1.0680661116087076
Energy: 0.99504565454445
Energy: 0.992348097182546
Energy: 0.9979834223790149
Energy: 0.960783617396164
Energy: 1.0543612399933227
Energy: 0.9979834223790149
Energy: 0.960783617396164
Energy: 1.0543612399933227
Energy: 0.9979834223790149
Energy: 0.9607836173969299
Energy: 1.0543612399917917
Energy: 0.9979834223790149
Energy: 0.9943449761881157
Energy: 1.1013150204875615
Energy: 0.9514931685453198
Energy: 0.9943449761881157
Energy: 1.1013150204875615
Energy: 0.9514931685453198
Energy: 0.9943449761881157
Energy: 1.1013150204875615
Energy: 0.9514931685453198
Energy: 0.9943449761881157
Energy: 1.00188978438447
Energy: 0.9746171548797019
Energy: 0.943193736655806
Energy: 1.0018897843829393
Energy: 0.9746171548797019
Energy: 0.943193736655806
Energy: 1.0018897843829393
Energy: 0.9746171548797019
Energy: 0.943193736655806
Energy: 1.0583303023645918
Energy: 0.980788964197313
Energy: 1.1258246628098165
Energy: 0.9577941468586897
Energy: 0.980788964197313
Energy: 1.1258246628098165
Energy: 0.9577941468586897
Energy: 0.980788964197313
Energy: 1.1258246628098165
Energy: 0.9577941468586897
Energy: 0.980788964197313
Energy: 1.162606176355387
Energy: 0.9606246781830993
Energy: 0.9610348768769484
Energy: 1.1626061763546214
Energy: 0.9606246781830993
Energy: 0.9610348768769484
Energy: 1.162606176355387
Energy: 0.9606246781830993
Energy: 0.9610348768769484
Energy: 1.162606176355387
Energy: 1.0568947222008482
Energy: 0.9968383338851143
Energy: 1.0696919997102394
Energy: 1.0568947222008482
Energy: 0.9968383338851143
Energy: 1.0696920021075493
Energy: 1.0568947222008482
Energy: 0.9968383338851143
Energy: 1.0696920008450088
Energy: 1.0568947222008482
Energy: 1.0431637012840527
Energy: 1.0433829198249405
Energy: 0.9842037252806761
Energy: 1.0431637012832868
Energy: 1.043382919825706
Energy: 0.9842037252799104
Energy: 1.0431637012840527
Energy: 1.043382919825706
Energy: 0.9842037252799104
Energy: 1.0431637012840527
Energy: 0.9974460790015438
Energy: 0.9542159829253383
Energy: 0.9698874640488164
Energy: 0.9974460790015438
Energy: 0.9542159829253383
Energy: 0.9698874640488164
Energy: 0.9974460790015438
Energy: 0.9542159829253383
Energy: 0.9698874640488164
Energy: 0.9974460790015438
Energy: 0.9608423673009997
Energy: 1.0092110271620938
Energy: 0.9610639163443335
Energy: 0.9608423673009997
Energy: 1.0092110271628596
Energy: 0.9610639163443335
Energy: 0.9608423673009997
Energy: 1.0092110271613284
Energy: 0.9610639163443335
Energy: 0.9608423673009997
Energy: 0.9681157043186263
Energy: 0.9669020857532892
Energy: 0.9602856159548333
Energy: 0.9681157043186263
Energy: 0.9669020857532892
Energy: 0.9602856159563643
Energy: 0.9681157043186263
Energy: 0.9669020857532892
Energy: 0.9602856159563643
Energy: 0.9681157043193918

minimum gb energy = 0.943193736655806 eV
minimum distance =  2.28386397916029 Angstroms
sigma value = 33