Model name: model_name=EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.620000052452088
cohesive_energy=3.5402783780697282
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.2894463229206397e-19, 2.31359112479502e-19, 2.8343786396767197e-19, 3.5391601192069794e-19, 4.1614775673852596e-19, 4.492855760595479e-19, 4.62119010897888e-19, 4.706906558897879e-19, 4.7931997924051195e-19, 4.87808311047444e-19, 4.96823758966962e-19, 5.062605793412219e-19, 5.15751873721038e-19, 5.24908313184348e-19, 5.33362999281966e-19, 5.408756055187919e-19, 5.47346796943518e-19, 5.527974018523859e-19, 5.57304324723828e-19, 5.60942867859642e-19, 5.63740268262606e-19, 5.65691719402818e-19, 5.668116408699839e-19, 5.67170528436e-19, 5.66814845223252e-19, 5.657894521774919e-19, 5.6417445813042e-19, 5.62025939264226e-19, 5.59201301858484e-19, 5.55131773208124e-19, 5.4890251045513195e-19, 5.396066816246639e-19, 5.26598609533218e-19, 5.0940404989713e-19, 4.87547156256102e-19, 4.604911994377439e-19, 4.2753122172309596e-19, 3.8725890985087196e-19, 3.3736712946811197e-19, 2.75827524956172e-19, 2.0641963099465799e-19, 1.359092792912886e-19, 5.43669801568488e-20, -6.71411344597308e-20, -2.0328417132191997e-19, -2.76058238391468e-19, -4.7799337698756e-20, 1.3162682136627e-18]
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: 0.013617062114498302
Energy: 0.27838692463854064
Energy: 0.014134137246701926
Energy: 0.013847349215566455
Energy: 0.27762885130576775
Energy: 0.013994927181286304
Energy: 0.27838692463760245
Energy: 0.09959629164113588
Energy: 0.09917035800118937
Energy: 0.09888679820423028
Energy: 0.09876422256881746
Energy: 0.09909785628491256
Energy: 0.01413413724486022
Energy: 0.09917035800271835
Energy: 0.09935740778073383
Energy: 0.014170274821526647
Energy: 0.09836581916101772
Energy: 0.09910709109009846
Energy: 0.013847349214975716
Energy: 0.09888679139113565
Energy: 0.01417027481968494
Energy: 0.013850550884181499
Energy: 0.09849580461613061
Energy: 0.014008054963483266
Energy: 0.27762885130482945
Energy: 0.09876422256548154
Energy: 0.09836581916133047
Energy: 0.09849580461675611
Energy: 0.09888864835777036
Energy: 0.09842263161072856
Energy: 0.013994927181286304
Energy: 0.09909785628432183
Energy: 0.09910709108982046
Energy: 0.014008054963170525
Energy: 0.0984226316110413
Energy: 0.013907157181459944

minimum gb energy = 0.013617062114498302 eV
minimum distance =  2.55649542925471 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.0203544354299017
Energy: 1.1184637972120401
Energy: 0.7593700846524215
Energy: 0.8029901581942962
Energy: 1.1192419899271493
Energy: 0.7201253442388424
Energy: 0.9031366616532296
Energy: 0.6674765641516723
Energy: 0.6673756013746207
Energy: 0.7511620032476716
Energy: 0.6678155155602841
Energy: 0.6672217955851736
Energy: 0.8686794813725367
Energy: 0.6697261543501872
Energy: 0.669848450410822
Energy: 0.7499407562958078
Energy: 0.6698441934772961
Energy: 0.6697991674097645
Energy: 0.9291313395304736
Energy: 0.7683760791264942
Energy: 0.7597001029116734
Energy: 0.6913588344600732
Energy: 0.758054783094797
Energy: 0.7194118123809878
Energy: 0.9100265315636347
Energy: 0.7397286017489377
Energy: 0.7381898470804444
Energy: 0.7555412885442131
Energy: 0.7227391748643689
Energy: 0.7396881554117775
Energy: 0.8925947050595522
Energy: 0.7363164836076729
Energy: 0.7306424965770916
Energy: 0.7282412061870651
Energy: 0.7386448915843653
Energy: 0.7291363525424576
Energy: 0.8959756507878402
Energy: 0.804101823307342
Energy: 0.7531368032159994
Energy: 0.7848704494504776
Energy: 0.8195047992216592
Energy: 0.7295673293476987
Energy: 0.8481524049857646
Energy: 0.7822521501470756
Energy: 0.7874700667648644
Energy: 0.8456708861891619
Energy: 0.7663748000143125
Energy: 0.7576745313303272
Energy: 0.7646143578651073
Energy: 0.7301535648651244
Energy: 0.7284503527475489
Energy: 0.7650414761949844
Energy: 0.73007062314665
Energy: 0.7340861996149163
Energy: 0.7869968527118364
Energy: 0.7587811374030733
Energy: 0.7384715842842523
Energy: 0.7481545512206056
Energy: 0.7576194307260625
Energy: 0.7395828746746697
Energy: 0.679112864765991
Energy: 0.7150639280249399
Energy: 0.7278456509847577
Energy: 0.6792912392543679
Energy: 0.7320433230313375
Energy: 0.7237101336880665
Energy: 0.6695763420812865
Energy: 0.7538822015262373
Energy: 0.6696609136121477
Energy: 0.669767530248555
Energy: 0.7449883945182151
Energy: 0.6746324034138227
Energy: 0.6681661352269974
Energy: 0.751390909688662
Energy: 0.6671771433029199
Energy: 0.6682301946369145
Energy: 0.7565325493405983
Energy: 0.6675115115521134
Energy: 0.72569356888488
Energy: 0.7157804977064037
Energy: 0.719026275422686
Energy: 0.67488241866226
Energy: 0.7102276336690151
Energy: 0.7290022714952816
Energy: 0.7070419530703833
Energy: 0.7499112877048023
Energy: 0.6988972355877041
Energy: 0.7078992992112805
Energy: 0.7533309941686287
Energy: 0.698970963069106
Energy: 0.7055556326223429
Energy: 0.7019857014158191
Energy: 0.6982032998424829
Energy: 0.7058060732352064
Energy: 0.7352640281083771
Energy: 0.7049473280766617
Energy: 0.8762615309586512
Energy: 0.7610859018740037
Energy: 0.7622389113012635
Energy: 0.877770326677535
Energy: 0.7429187944039664
Energy: 0.705543520485083
Energy: 0.8395230415467055
Energy: 0.76713994301107
Energy: 0.7645732195630095
Energy: 0.7619959609979463
Energy: 0.7638977144614272
Energy: 0.7599081839747147
Energy: 0.8403670875018906
Energy: 0.7509647846606402
Energy: 0.75025090657396
Energy: 0.779877966419297
Energy: 0.7497303610884504
Energy: 0.7504016865650731
Energy: 0.8939342164605448
Energy: 0.7647010232628063
Energy: 0.769717873527427
Energy: 0.8028573561770742
Energy: 0.7538941948408789
Energy: 0.7607716126901484
Energy: 0.9045364003818973
Energy: 0.7019693657346292
Energy: 0.8111618003816268
Energy: 0.7083890900633425
Energy: 0.7043337273787755
Energy: 0.72679893009735
Energy: 0.8765031270842509
Energy: 0.7016615970742807
Energy: 0.700982749082035
Energy: 0.7555145884676286
Energy: 0.7006813169904615
Energy: 0.700971654235587
Energy: 0.9270709544434049
Energy: 0.6992494989695179
Energy: 0.6989433447055592
Energy: 0.7510983447528128
Energy: 0.7047921598638727
Energy: 0.6987662239078446

minimum gb energy = 0.6671771433029199 eV
minimum distance =  2.34885672433872 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.2302530134441425
Energy: 0.8588728593246279
Energy: 0.7341301173425423
Energy: 0.7303890859125761
Energy: 0.7298584836297493
Energy: 0.7958840273734412
Energy: 0.9043425279900567
Energy: 0.6825903742658657
Energy: 0.6824259996651161
Energy: 0.8135751429872119
Energy: 0.6824111617142776
Energy: 0.6827087329160754
Energy: 0.9011478650327618
Energy: 0.6980242937206556
Energy: 0.7111961871362257
Energy: 0.8430147657012166
Energy: 0.6827259130921274
Energy: 0.6969014439165293
Energy: 0.9305351214881277
Energy: 0.8270663496469481
Energy: 0.7191039572915512
Energy: 0.9281429825326126
Energy: 0.7400288766052713
Energy: 0.7882302947679469
Energy: 0.8920857641801787
Energy: 0.7238545710061324
Energy: 0.742166430297037
Energy: 0.7707105062335017
Energy: 0.7057250790778885
Energy: 0.7718268585814089
Energy: 0.9135666621356038
Energy: 0.7160407232363548
Energy: 0.8197934590723615
Energy: 0.7473004428062923
Energy: 0.8374070774600825
Energy: 0.7282035927493256
Energy: 0.9135141095869643
Energy: 0.8764355121411828
Energy: 0.7881128287802506
Energy: 0.7811562397388352
Energy: 0.929432759161139
Energy: 0.784405713412008
Energy: 0.8936462243280924
Energy: 0.7924705432198207
Energy: 0.7930568193350155
Energy: 0.850147302645672
Energy: 0.7928700240926406
Energy: 0.7929520250927964
Energy: 0.8141840350248891
Energy: 0.7921314041234104
Energy: 0.7961000055923358
Energy: 0.8104273044993171
Energy: 0.7834003182995906
Energy: 0.7940949746865875
Energy: 0.8243062125789874
Energy: 0.8091548215904656
Energy: 0.7845440344387444
Energy: 0.8188683538623451
Energy: 0.7965040509619928
Energy: 0.7855408976124321
Energy: 0.8453973393933208
Energy: 0.6902251000491202
Energy: 0.6899759284364161
Energy: 0.8463498687776387
Energy: 0.7026256859538694
Energy: 0.6998194457451833
Energy: 0.7438699532016484
Energy: 0.7253306167368423
Energy: 0.7322145451558137
Energy: 0.7453254452100937
Energy: 0.7680310437061191
Energy: 0.7379248735880137
Energy: 0.7480725321692525
Energy: 0.7698614158993342
Energy: 0.7612581744245244
Energy: 0.7436803387983787
Energy: 0.7990063022582043
Energy: 0.7528694692430841
Energy: 0.7643587955439811
Energy: 0.7764383128131556
Energy: 0.7871914996619476
Energy: 0.7562904514845792
Energy: 0.8972432955284622
Energy: 0.7866689789789384
Energy: 0.7875886085736847
Energy: 0.7829780275810827
Energy: 0.7782771181268037
Energy: 0.7759394410773393
Energy: 0.8158812423430218
Energy: 0.819873403247202
Energy: 0.8519875280675533
Energy: 0.7779348219140337
Energy: 0.7785544327866286
Energy: 0.8339013702518995
Energy: 0.8203252720861013
Energy: 0.7690593097717858
Energy: 0.8012419602851728
Energy: 0.8295688951235536
Energy: 0.8314367383741132
Energy: 0.8511306056092404
Energy: 0.8280494609198048
Energy: 0.8295766943195556
Energy: 0.8757012871175672
Energy: 0.8205199830262299
Energy: 0.819355282547837
Energy: 0.8743856245028964
Energy: 0.8758453800053092
Energy: 0.7947110214595836
Energy: 0.8786657521394319
Energy: 0.8426226358848148
Energy: 0.8421866211068534
Energy: 0.7865176987910384
Energy: 0.838692580190779
Energy: 0.8360108608876762
Energy: 0.9530465239345118
Energy: 0.8406788705940356
Energy: 0.8433780025070385
Energy: 0.8968505074601394
Energy: 0.8407697731117014
Energy: 0.8398258528881836
Energy: 0.912244197595954
Energy: 0.8060007565484514
Energy: 0.7293797149705032
Energy: 0.6657701564953763
Energy: 0.8955412204052974
Energy: 0.6893706158257454
Energy: 0.8615570093105488
Energy: 0.8032658136902117
Energy: 0.7990033641328895
Energy: 0.7411192489173932
Energy: 0.8027583192641021
Energy: 0.7851175617278907
Energy: 0.9273811513753455
Energy: 0.8015818130588743
Energy: 0.8009182169600577
Energy: 0.8490171717814017
Energy: 0.8003196853132313
Energy: 0.7943783208384823
Energy: 0.9334610376422475
Energy: 0.8138677548337908
Energy: 0.8171233596553085
Energy: 0.9278704685514668
Energy: 0.8202804070839825
Energy: 0.7862688784311718
Energy: 0.9215240775156291
Energy: 0.8234729433977008
Energy: 0.8231233096182619
Energy: 0.9064223514892764
Energy: 0.807788023734368
Energy: 0.8242726457631498
Energy: 0.892522270896657
Energy: 0.8178552292198276
Energy: 0.8175382536340943
Energy: 0.8735626676576553
Energy: 0.8258277525325214
Energy: 0.8131012932842006
Energy: 0.9573928421077906
Energy: 0.7779427549207277
Energy: 0.778326274983396
Energy: 0.7819427487215956
Energy: 0.7903221612251944
Energy: 0.8043523568830271
Energy: 0.8926229723239194
Energy: 0.7953344659699189
Energy: 0.7943938828038702
Energy: 0.8594429369164468
Energy: 0.7962187545799634
Energy: 0.8152539838426113
Energy: 0.8180185054547378
Energy: 0.7975961518297434
Energy: 0.7977698589565039
Energy: 0.8063788605413938
Energy: 0.7937441409769959
Energy: 0.7917955814703679
Energy: 0.8102970481974537
Energy: 0.7854863440999845
Energy: 0.7855060146402921
Energy: 0.7840777326224525
Energy: 0.8051037077680238
Energy: 0.7903010902521905
Energy: 0.8385407114542297
Energy: 0.7023387003387512
Energy: 0.7090162357556351
Energy: 0.837764659977567
Energy: 0.6718237533016053
Energy: 0.6708617976654294
Energy: 0.7436802969754115
Energy: 0.7368642874262671
Energy: 0.7007003656956193
Energy: 0.7446625559982858
Energy: 0.718397256607403
Energy: 0.7419417192301614
Energy: 0.7446858701834554
Energy: 0.7588703998408931
Energy: 0.75257622534321
Energy: 0.7453809291293055
Energy: 0.8092428096107909
Energy: 0.7538685252386382
Energy: 0.7634708977417097
Energy: 0.7483393941617426
Energy: 0.788983594900448
Energy: 0.7634994655318602
Energy: 0.7692146331920361
Energy: 0.7879785817873562
Energy: 0.7959912218261128
Energy: 0.7889100905644458
Energy: 0.7703910561466706
Energy: 0.7815048171162391
Energy: 0.8159341934449799
Energy: 0.773316711722636
Energy: 0.8799451754376204
Energy: 0.7592874660758683
Energy: 0.782367288454316
Energy: 0.8173390736226
Energy: 0.8163792787721168
Energy: 0.7851308664800987
Energy: 0.8171193330412192
Energy: 0.8492932303486231
Energy: 0.7543340108374293
Energy: 0.7327529128714405
Energy: 0.7357709983543763
Energy: 0.7559183694644184
Energy: 0.9045143752504956
Energy: 0.7976844758418299
Energy: 0.7543411385540117
Energy: 0.7851198831782344
Energy: 0.8497251295430415
Energy: 0.810653730431638
Energy: 0.8749564855154897
Energy: 0.7254152136520265
Energy: 0.745407806344559
Energy: 0.8738576741190691
Energy: 0.756083045528503
Energy: 0.7936675949663687
Energy: 0.891910533102717
Energy: 0.7284001049944193
Energy: 0.7287256442345712
Energy: 0.7636191399621445
Energy: 0.72897820632149
Energy: 0.7284961590523089
Energy: 1.012865554032789
Energy: 0.7806804258585882
Energy: 0.6646680872322818
Energy: 0.9105062176404701
Energy: 0.7805563898170734
Energy: 0.7400723972592904

minimum gb energy = 0.6646680872322818 eV
minimum distance =  2.35400942114728 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.065359372027428
Energy: 0.6966417509575529
Energy: 0.6929148682112951
Energy: 1.0648702004297224
Energy: 0.6932174272760019
Energy: 0.7493042036638983
Energy: 0.8832646508225721
Energy: 0.6925408240965124
Energy: 0.6928643768198076
Energy: 0.8253668052599575
Energy: 0.6950817073452523
Energy: 0.6934887246915422
Energy: 0.8637165943580519
Energy: 0.6913408398848125
Energy: 0.6906453778759559
Energy: 0.7614109526525172
Energy: 0.6916652159470102
Energy: 0.683242141946473
Energy: 0.9723160729357145
Energy: 0.8109199005119436
Energy: 0.7390931084267185
Energy: 0.72593267118711
Energy: 0.7965457691940077
Energy: 0.7408058614730901
Energy: 0.8474951480785149
Energy: 0.7666871664395758
Energy: 0.7641808345541626
Energy: 0.8461880329719912
Energy: 0.7516834452812008
Energy: 0.7623109223042651
Energy: 0.8211454091106077
Energy: 0.7433265688486945
Energy: 0.7424308259422662
Energy: 0.7379753811074244
Energy: 0.7625574694286813
Energy: 0.7414174852158872
Energy: 0.8299914125865456
Energy: 0.7405107395866025
Energy: 0.760138318669496
Energy: 0.7512056013289347
Energy: 0.7590744638560651
Energy: 0.7641389901701986
Energy: 0.8174177094980533
Energy: 0.7125048780377413
Energy: 0.7012316166171432
Energy: 0.8168753853932056
Energy: 0.6759267655707513
Energy: 0.7013644514282174
Energy: 0.7028745647564767
Energy: 0.7192998853769728
Energy: 0.7193423060867277
Energy: 0.702926574153954
Energy: 0.7148151609197013
Energy: 0.6830406495707348
Energy: 0.694994298522895
Energy: 0.6928442999602533
Energy: 0.6927775496684351
Energy: 0.6922857501009795
Energy: 0.7596949685164025
Energy: 0.6926728334414836
Energy: 0.700537199143745
Energy: 0.697941299256148
Energy: 0.6972844812270439
Energy: 0.6885915785214197
Energy: 0.6992409109537943
Energy: 0.7193679368317026
Energy: 0.749440852441445
Energy: 0.7283568498146887
Energy: 0.732489912022529
Energy: 0.7497942756420961
Energy: 0.7888438718605562
Energy: 0.7308994524146443
Energy: 0.7350954641964962
Energy: 0.7027615755795326
Energy: 0.702230494976878
Energy: 0.7169957104804747
Energy: 0.7710006864111545
Energy: 0.7100085744326715
Energy: 0.7368588544104043
Energy: 0.7448138176690806
Energy: 0.7334768513184498
Energy: 0.7368478114133798
Energy: 0.7288653791479639
Energy: 0.7862501267991724
Energy: 0.8765617350590691
Energy: 0.7750881053369116
Energy: 0.7587629935462624
Energy: 0.6937017169659425
Energy: 0.7810947881164656
Energy: 0.7623966849804148
Energy: 0.8749805502239658
Energy: 0.7295879496683415
Energy: 0.7296948084080508
Energy: 0.7398875843046038
Energy: 0.7289173959206079
Energy: 0.7481225307570406
Energy: 0.8522071078414515
Energy: 0.7161557728241876
Energy: 0.7158566131673743
Energy: 0.8346865271559136
Energy: 0.7280621104001918
Energy: 0.7158090182842403
Energy: 0.9178841209035343
Energy: 0.7286939638287937
Energy: 0.7123495723697933
Energy: 0.8800484848901559
Energy: 0.7362543077295534
Energy: 0.6812276546579258

minimum gb energy = 0.6759267655707513 eV
minimum distance =  2.3988193802483 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.9708785605148782
Energy: 0.7215463531178523
Energy: 0.6450792024155757
Energy: 0.8934693188937295
Energy: 0.6696598958738538
Energy: 0.7142237558730122
Energy: 0.8956711273415522
Energy: 0.6493922690533407
Energy: 0.6550877714371857
Energy: 0.7114486591038788
Energy: 0.6511440575479153
Energy: 0.6498969785102153
Energy: 0.7951098364127915
Energy: 0.6752938611999583
Energy: 0.6760639715345327
Energy: 0.8440416441731967
Energy: 0.6701546890838955
Energy: 0.6758623030159121
Energy: 0.8071743659630144
Energy: 0.7438912671214571
Energy: 0.6949611771511006
Energy: 0.7933843720071098
Energy: 0.7239444249941034
Energy: 0.6760051603502111
Energy: 0.7910821593314331
Energy: 0.6851258358446985
Energy: 0.697286897955054
Energy: 0.7697905238668753
Energy: 0.6906421227255042
Energy: 0.6956412172672998
Energy: 0.8644483467116397
Energy: 0.6611265939095413
Energy: 0.7667637342009722
Energy: 0.8791646633309927
Energy: 0.6662702240084899
Energy: 0.7580559392659739
Energy: 0.8910857541603978
Energy: 0.7026406344430204
Energy: 0.6762541568578834
Energy: 0.7527261273841322
Energy: 0.7720211279549718
Energy: 0.7602200589573438
Energy: 0.7935650406639266
Energy: 0.5842685321601654
Energy: 0.6277002350527032
Energy: 0.8003639342447528
Energy: 0.628483628474007
Energy: 0.6277006978004462
Energy: 0.7618142344609522
Energy: 0.5827837355371224
Energy: 0.582769390332777
Energy: 0.761243338299967
Energy: 0.5829582974943491
Energy: 0.5825129625445499
Energy: 0.7482777208321744
Energy: 0.7142872565960975
Energy: 0.7256263665785601
Energy: 0.7485694045796043
Energy: 0.9115044797514887
Energy: 0.7442481102854598
Energy: 0.7447218614079355
Energy: 0.6914354031373084
Energy: 0.6905670462388164
Energy: 0.7476742795012337
Energy: 0.7923052778707975
Energy: 0.7373448403196466
Energy: 0.8024944925568941
Energy: 0.7626017702948862
Energy: 0.7741464565061827
Energy: 0.792258580446197
Energy: 0.8883872982738052
Energy: 0.7395775910313198
Energy: 0.6783279804956575
Energy: 0.7585544193691325
Energy: 0.7597701721384916
Energy: 0.6426427984639262
Energy: 0.7589313983682238
Energy: 0.7714797589291487
Energy: 0.8113402567420723
Energy: 0.7702805895656281
Energy: 0.7716969872131273
Energy: 0.7910230724475289
Energy: 0.7722842046845209
Energy: 0.7732703684633624
Energy: 0.900177021442503
Energy: 0.7322171948630841
Energy: 0.7310308562368046
Energy: 0.5836251742953471
Energy: 0.8065163461862693
Energy: 0.5822978152810435
Energy: 0.8965177759407119
Energy: 0.7621298449121815
Energy: 0.6482235546258561
Energy: 0.8970006878690874
Energy: 0.7607661010113997
Energy: 0.628116730908672
Energy: 0.789535272946784
Energy: 0.7299250461854867
Energy: 0.7306212894235198
Energy: 0.7612587313107494
Energy: 0.728612371844107
Energy: 0.7316481864902579
Energy: 0.8087830055524994
Energy: 0.7582851033858834
Energy: 0.7462222737076512
Energy: 0.8083406741533498
Energy: 0.7577842689220929
Energy: 0.7464657989072603
Energy: 0.8098808243929065
Energy: 0.7345954911306011
Energy: 0.7352925957204377
Energy: 0.8092478942369401
Energy: 0.7686661574166237
Energy: 0.7364005527365544
Energy: 0.8904918848811879
Energy: 0.63741531793848
Energy: 0.7576725261149913
Energy: 0.7608133096666055
Energy: 0.6540434090616992
Energy: 0.7571374020781576
Energy: 0.877116381049815
Energy: 0.7712092021971451
Energy: 0.7619728734735696
Energy: 0.8730049200886397
Energy: 0.7428653287026623
Energy: 0.771866286871091
Energy: 0.8072819725202386
Energy: 0.756776442191022
Energy: 0.7629075356518181
Energy: 0.8072515162619276
Energy: 0.7620084876755402
Energy: 0.7624672361494842
Energy: 0.8658008688737668
Energy: 0.6296457256862145
Energy: 0.6299335411382583
Energy: 0.8069490379540593
Energy: 0.6293526365860675
Energy: 0.6452423010540322
Energy: 0.7418143491046495
Energy: 0.7382494651072162
Energy: 0.6606453492715421
Energy: 0.7227156681423362
Energy: 0.6807388214142888
Energy: 0.7327881219818028
Energy: 0.7395489375632762
Energy: 0.6600502607278013
Energy: 0.761592119004652
Energy: 0.7393625622592774
Energy: 0.7818367354544692
Energy: 0.6596775900271059
Energy: 0.7368891738324621
Energy: 0.6910649503192162
Energy: 0.6908660877001126
Energy: 0.6810745580704491
Energy: 0.793197199821499
Energy: 0.7686472260625099
Energy: 0.8679455200607368
Energy: 0.6910777450113974
Energy: 0.6801765922171684
Energy: 0.7208043127549566
Energy: 0.6803269129138412
Energy: 0.6811091860473437
Energy: 0.6736817555357102
Energy: 0.6846534933996604
Energy: 0.6788890330158017
Energy: 0.6618486970878846
Energy: 0.6939081957893325
Energy: 0.6970244858320622
Energy: 0.7906138406433972
Energy: 0.686969390816447
Energy: 0.6838229738004514
Energy: 0.6715293154441698
Energy: 0.6870895061849301
Energy: 0.6972698659232626
Energy: 0.9767270866522848
Energy: 0.7294901008267617
Energy: 0.6278070454344065
Energy: 0.8992653316548015
Energy: 0.7296789925465155
Energy: 0.6747136713822001

minimum gb energy = 0.5822978152810435 eV
minimum distance =  2.41814175750784 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.7582069870289062
Energy: 0.6405246147641245
Energy: 0.6620619779414215
Energy: 0.7591963761292915
Energy: 0.643094095681525
Energy: 0.662358244945323
Energy: 0.7183838377853939
Energy: 0.6572408475253029
Energy: 0.6577712885600547
Energy: 0.7170290582784395
Energy: 0.6556085316587745
Energy: 0.6415603165743573
Energy: 0.687414451991209
Energy: 0.6242902425523241
Energy: 0.6235085712865265
Energy: 0.6849607332905844
Energy: 0.6233052089780404
Energy: 0.6237497342641014
Energy: 0.6841724645580534
Energy: 0.6695141479088835
Energy: 0.6241258662372956
Energy: 0.6711149289010875
Energy: 0.746752590280949
Energy: 0.6955740782955672
Energy: 0.7478295068411267
Energy: 0.6789404396276235
Energy: 0.6960653971233164
Energy: 0.7490767193223637
Energy: 0.6830441570553306
Energy: 0.6237139188499892
Energy: 0.6452461932731288
Energy: 0.6786070669632357
Energy: 0.6368625599910523
Energy: 0.6260648435475801
Energy: 0.6784446428940395
Energy: 0.5716342832905336
Energy: 0.6408400779347246
Energy: 0.6218510034667808
Energy: 0.6273441039876555
Energy: 0.6410923828708199
Energy: 0.7971693669555158
Energy: 0.6279671799763833
Energy: 0.6387536257013346
Energy: 0.6901317062785085
Energy: 0.6202232736832419
Energy: 0.6385419779896149
Energy: 0.6823681745096465
Energy: 0.619202382021717
Energy: 0.7279152548700544
Energy: 0.6901236326155397
Energy: 0.6695727637523878
Energy: 0.7280142459706663
Energy: 0.6685374127260624
Energy: 0.6421975191956457
Energy: 0.6832468097474701
Energy: 0.6102478043460967
Energy: 0.6160802647477389
Energy: 0.6390512152964427
Energy: 0.6544837755613739
Energy: 0.6382260036479876
Energy: 0.6895272249262748
Energy: 0.6362725023017153
Energy: 0.6368497282314252
Energy: 0.6556019697760352
Energy: 0.6550310382051093
Energy: 0.609972214529275
Energy: 0.7290972813385665
Energy: 0.6535667612200661
Energy: 0.6589605917118513
Energy: 0.637110634823796
Energy: 0.7384692684759916
Energy: 0.6417410091729692

minimum gb energy = 0.5716342832905336 eV
minimum distance =  2.38824656413402 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.6615111678540442
Energy: 0.6038737921332857
Energy: 0.555250134684485
Energy: 0.6181323166620973
Energy: 0.6074810010906522
Energy: 0.5324990347451546
Energy: 0.5768961689924152
Energy: 0.576975255362164
Energy: 0.5771203345858709
Energy: 0.5661503481997667
Energy: 0.5758431220911249
Energy: 0.5770935295905285
Energy: 0.5813252091875701
Energy: 0.549379274734368
Energy: 0.549435153292503
Energy: 0.5665647501730685
Energy: 0.5515904278141194
Energy: 0.5498536228576939
Energy: 0.5778424435661168
Energy: 0.5710918854106267
Energy: 0.6169740695620952
Energy: 0.5697334842479503
Energy: 0.568711220221865
Energy: 0.6137766796774695
Energy: 0.6376149763527967
Energy: 0.6344093265903212
Energy: 0.6111351268206168
Energy: 0.6376509219245899
Energy: 0.6676083186938263
Energy: 0.5780696852687006
Energy: 0.5774946595037168
Energy: 0.5339999412300929
Energy: 0.5734142428571642
Energy: 0.5773698296969411
Energy: 0.5335397442225599
Energy: 0.5724029000135693
Energy: 0.6042699277927785
Energy: 0.57817955951838
Energy: 0.6047196476441331
Energy: 0.606025561313964
Energy: 0.5651637138824458
Energy: 0.6042830615135788
Energy: 0.5587700269223917
Energy: 0.5656661311674108
Energy: 0.5840185539870778
Energy: 0.559403633877468
Energy: 0.5643995179562258
Energy: 0.5573056797076135
Energy: 0.6877635088139399
Energy: 0.5735776392749036
Energy: 0.6141520918985414
Energy: 0.6890882364385762
Energy: 0.620624893760693
Energy: 0.5620405602805696
Energy: 0.5375685480772611
Energy: 0.5651598928031555
Energy: 0.5707747124246999
Energy: 0.5384905705318785
Energy: 0.5649908689870196
Energy: 0.5968313684491081
Energy: 0.5439148184658708
Energy: 0.5577027442726072
Energy: 0.5577811241522079
Energy: 0.517025100009435
Energy: 0.5588502945041158
Energy: 0.5580719296331728
Energy: 0.6199361896632546
Energy: 0.5793847575256245
Energy: 0.5803826603216539
Energy: 0.6178036188792169
Energy: 0.5778280046059894
Energy: 0.5802649680665856
Energy: 0.7919794629497023
Energy: 0.5712437292530127
Energy: 0.5709110497035433
Energy: 0.7311167606536252
Energy: 0.5716146851497799
Energy: 0.5569443531025093
Energy: 0.6409905299036758
Energy: 0.5653857917268827
Energy: 0.5663137254793645
Energy: 0.6497553986134159
Energy: 0.6517869610354851
Energy: 0.6307169717760127
Energy: 0.5608970913747463
Energy: 0.6049085930322501
Energy: 0.6144056193348282
Energy: 0.5615290164291453
Energy: 0.6072489196057888
Energy: 0.5942219415951968
Energy: 0.5556478649085478
Energy: 0.5685761637916755
Energy: 0.5493283535313075
Energy: 0.5491534757598202
Energy: 0.567358341619409
Energy: 0.5492661380001234
Energy: 0.5737380124350299
Energy: 0.5563267652939278
Energy: 0.5766992124237171
Energy: 0.5743959645746259
Energy: 0.6229023535340741
Energy: 0.5755018805555246
Energy: 0.6302599114483383
Energy: 0.576375256508966
Energy: 0.5699680008039729
Energy: 0.6300386114128254
Energy: 0.5659733155103712
Energy: 0.6088679235245815
Energy: 0.5785363534481723
Energy: 0.575713707559118
Energy: 0.5480058038559644
Energy: 0.5784386419852539
Energy: 0.5692148610654783
Energy: 0.5498131732465158
Energy: 0.5766595721144872
Energy: 0.5566042950058621
Energy: 0.5569640287722385
Energy: 0.5554247636400658
Energy: 0.5669761908226051
Energy: 0.570145487135882
Energy: 0.5760526904271763
Energy: 0.5576219563555401
Energy: 0.5577451378215051
Energy: 0.5767892130395582
Energy: 0.5673684772109068
Energy: 0.5591206721002672
Energy: 0.6056338506258929
Energy: 0.5730348487915166
Energy: 0.5984466890958586
Energy: 0.6043359024504057
Energy: 0.6294871736029043
Energy: 0.571223071214153
Energy: 0.5986460741994527
Energy: 0.5758607618723474
Energy: 0.5761263280562973
Energy: 0.5938954475898157
Energy: 0.5755279717697337
Energy: 0.6060160585213434
Energy: 0.5780394004243392
Energy: 0.5490166279734832
Energy: 0.5493388817232049
Energy: 0.5636013573264406
Energy: 0.5496548680085644
Energy: 0.5493793773029277
Energy: 0.8035304427301333
Energy: 0.5513492699947844
Energy: 0.5599343523630647
Energy: 0.5663321604631787
Energy: 0.5596226003461042
Energy: 0.594513675963068
Energy: 0.6502342673430869
Energy: 0.576932030673121
Energy: 0.6048552680636721
Energy: 0.6508428175725226
Energy: 0.5894827438975381
Energy: 0.5759109384028339
Energy: 0.5776599986499339
Energy: 0.5957899453275072
Energy: 0.5878124055559777
Energy: 0.5771680205420475
Energy: 0.6452497021270968
Energy: 0.548198253968008
Energy: 0.5771440422003441
Energy: 0.5867851283864136
Energy: 0.578188166826477
Energy: 0.5775040353014248
Energy: 0.677315055263153
Energy: 0.5782908451103312
Energy: 0.5569555694575824
Energy: 0.6071071400162409
Energy: 0.5574321598757952
Energy: 0.5582810213567062
Energy: 0.5893261777521417
Energy: 0.5575061060255203
Energy: 0.5815574011169925
Energy: 0.5657229547939687
Energy: 0.5621258685901982
Energy: 0.5815511567162707
Energy: 0.5649073224814289
Energy: 0.6088098601560178
Energy: 0.5322308611553457
Energy: 0.5586310801479806
Energy: 0.5791713123240878
Energy: 0.516493885441568
Energy: 0.6898700576811391
Energy: 0.5653246461048518
Energy: 0.5214266681420286
Energy: 0.5577091983419492
Energy: 0.5574523871696078
Energy: 0.5380015720069788
Energy: 0.5573968806951485
Energy: 0.591169511689105
Energy: 0.6411845248507257
Energy: 0.5592012976735277
Energy: 0.5592682606685089
Energy: 0.640754090523454
Energy: 0.5594492750350178
Energy: 0.5598114441676376
Energy: 0.5707864902677168
Energy: 0.5713246138221127
Energy: 0.5709026540263005
Energy: 0.5727991180703167
Energy: 0.5711940716522232
Energy: 0.5938944108028367
Energy: 0.566163781227645
Energy: 0.5794301438419345
Energy: 0.5785909541394638
Energy: 0.6051294557620406
Energy: 0.6374568962148258
Energy: 0.5787128800661716
Energy: 0.5916049739865761
Energy: 0.5915090869246549
Energy: 0.5676143397549633
Energy: 0.5724885025083857
Energy: 0.5930623693020648
Energy: 0.6156081412436667
Energy: 0.5563873974654275
Energy: 0.5673495984922565
Energy: 0.6012606338850841
Energy: 0.5500959892533506
Energy: 0.5708392874908135
Energy: 0.5493843486363276
Energy: 0.5738576401234666
Energy: 0.5913490352545963
Energy: 0.574996588559367
Energy: 0.5741178664093345
Energy: 0.5871190099383841
Energy: 0.5750117862595008
Energy: 0.6275488208282534
Energy: 0.6014763008747621
Energy: 0.5792373097360949
Energy: 0.5896496475027941
Energy: 0.5771315261282272
Energy: 0.5827300466104922
Energy: 0.5785729591622008
Energy: 0.5662748893386671
Energy: 0.6095865576896594
Energy: 0.6317411615996021
Energy: 0.5871406369272142
Energy: 0.5750376692569092
Energy: 0.5737256050133631
Energy: 0.5688366933917529
Energy: 0.5524433098972885
Energy: 0.5693434169079312
Energy: 0.5684188456673288
Energy: 0.5545701307070292
Energy: 0.5775433940110339
Energy: 0.5557982654221245
Energy: 0.556799181051268
Energy: 0.5645972928219383
Energy: 0.5605449414078069
Energy: 0.5557510759267391
Energy: 0.6233142631055605
Energy: 0.5760647235064867
Energy: 0.5760059471678115
Energy: 0.5934006708975034
Energy: 0.5760940726227632
Energy: 0.6074972121400223

minimum gb energy = 0.516493885441568 eV
minimum distance =  2.36826766062826 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.2496503437727593
Energy: 0.46528714525481407
Energy: 0.25940053552603803
Energy: 0.25217229287286264
Energy: 0.2941894571618904
Energy: 0.25118568987212053
Energy: 0.613691922286269
Energy: 0.290438341999535
Energy: 0.30014081575359514
Energy: 0.2877602752895731
Energy: 0.28976056008095574
Energy: 0.29903979502591205
Energy: 0.32777087144389405
Energy: 0.2917121726624123
Energy: 0.29170601515097927
Energy: 0.32765596876052216
Energy: 0.29164332283080757
Energy: 0.29181547063483954
Energy: 0.32781883609104984
Energy: 0.2919289022824543
Energy: 0.29162179327973764
Energy: 0.29062766992563666
Energy: 0.32770782936179393
Energy: 0.3330716174900566
Energy: 0.3229600117144769
Energy: 0.2512813341499475
Energy: 0.25128751220822276
Energy: 0.32369791412234
Energy: 0.25107031788191797
Energy: 0.30033457541127423
Energy: 0.29195958463361127
Energy: 0.2509254732621326
Energy: 0.2511765187646441
Energy: 0.291908158139996
Energy: 0.25085648899814195
Energy: 0.2773982270597018
Energy: 0.28600061872543064
Energy: 0.2910097667161592
Energy: 0.30138901731913265
Energy: 0.28679299571344424
Energy: 0.290821641610801
Energy: 0.30152497392639543
Energy: 0.2920935760356061
Energy: 0.3340689987307531
Energy: 0.3339829303200612
Energy: 0.29221759552265464
Energy: 0.33384084823858434
Energy: 0.29200577079150014
Energy: 0.32262261606379633
Energy: 0.2908015859182735
Energy: 0.33067894300704803
Energy: 0.32356339442612486
Energy: 0.3269062752686135
Energy: 0.29149483034068996
Energy: 0.2506846532814213
Energy: 0.3275140386152143
Energy: 0.27960808110932234
Energy: 0.2507548409946657
Energy: 0.3271447310019685
Energy: 0.2514445589496068
Energy: 0.25079475345812285
Energy: 0.291586290461989
Energy: 0.26910176839288785
Energy: 0.2509467847105789
Energy: 0.2915103042224619
Energy: 0.28088422461875534
Energy: 0.3250149522375348
Energy: 0.29043361340994023
Energy: 0.290890696139534
Energy: 0.32575621781716774
Energy: 0.28970851888580146
Energy: 0.3044200270897485
Energy: 0.32805669102322327
Energy: 0.32778558018654236
Energy: 0.33413093564748697
Energy: 0.3341182242570016
Energy: 0.327878820591403
Energy: 0.33400931275463785
Energy: 0.3231360852022049
Energy: 0.29064274601869466
Energy: 0.2910364850417689
Energy: 0.32405144267286534
Energy: 0.28964628519587415
Energy: 0.2913564717368138
Energy: 0.32773350973827226
Energy: 0.2504032748182412
Energy: 0.250662331630077
Energy: 0.32803445424666705
Energy: 0.25338231475059547
Energy: 0.27920685966273256
Energy: 0.2897555543590617
Energy: 0.29001798026856757
Energy: 0.30085582729453914
Energy: 0.2900987275330026
Energy: 0.2511700231641732
Energy: 0.3000947619949995
Energy: 0.2915010347094359
Energy: 0.33342911285857235
Energy: 0.29174232334914757
Energy: 0.2915856824318286
Energy: 0.33245050888146954
Energy: 0.29152955291260496
Energy: 0.32811976248374736
Energy: 0.3334684225864092
Energy: 0.33324013286498455
Energy: 0.32814595407360925
Energy: 0.29105265910905814
Energy: 0.33366888116484894
Energy: 0.2508629425418579
Energy: 0.32698050219713354
Energy: 0.303311790526947
Energy: 0.251010853941718
Energy: 0.3240304266622638
Energy: 0.29097088658019304

minimum gb energy = 0.2496503437727593 eV
minimum distance =  2.43022590580279 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.5628803453371782
Energy: 0.5461703024244157
Energy: 0.49213102310040346
Energy: 0.496618021570871
Energy: 0.5461056408501752
Energy: 0.4930913225685702
Energy: 0.4671030050589838
Energy: 0.4674996029458682
Energy: 0.46660345678728793
Energy: 0.49664022450335604
Energy: 0.46903002717471076
Energy: 0.5142477447196081
Energy: 0.46901472999906524
Energy: 0.469984449842699
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Energy: 0.4696929029000825
Energy: 0.4749290739389844
Energy: 0.46684567516467274
Energy: 0.4685354866565229
Energy: 0.4813681654375077
Energy: 0.5039402819165483
Energy: 0.4695171429109588
Energy: 0.46842339444566045
Energy: 0.4676790443596231
Energy: 0.4710911575722705
Energy: 0.4749813408047478
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Energy: 0.47153339852431053
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Energy: 0.47349450433655926
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Energy: 0.5250491487715431
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Energy: 0.5259483364353703
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Energy: 0.4816228809227211
Energy: 0.5266732956406115
Energy: 0.5330930712688862
Energy: 0.4978471536463179
Energy: 0.505745180842111
Energy: 0.5345462309956777
Energy: 0.47890484202527156
Energy: 0.5656605263311058
Energy: 0.5403533670501055
Energy: 0.526618080210399
Energy: 0.5091608697092629
Energy: 0.5094552373474877
Energy: 0.5366058100691286
Energy: 0.5093803516296954
Energy: 0.7502739639931516
Energy: 0.5112326931934964
Energy: 0.5564695271075201
Energy: 0.4687806457411971
Energy: 0.511043135505038
Energy: 0.46902893346049135
Energy: 0.544385356676719
Energy: 0.5266477619451445
Energy: 0.47927450730950344
Energy: 0.47750601843026136
Energy: 0.5268731656438652
Energy: 0.4805836240109058
Energy: 0.540502581723015
Energy: 0.5298760919357339
Energy: 0.47692112593191055
Energy: 0.4653532874091498
Energy: 0.5287962899195482
Energy: 0.4758979296957754
Energy: 0.6446799626370759
Energy: 0.5799799072084217
Energy: 0.5120502067010686
Energy: 0.48320280511019886
Energy: 0.5782880201742815
Energy: 0.4942931010420814
Energy: 0.5396001044691465
Energy: 0.5270395399811696
Energy: 0.5083159398966498
Energy: 0.4676192778790597
Energy: 0.5943082700649778
Energy: 0.4829306900813305
Energy: 0.7141079861615853
Energy: 0.5024847168019181
Energy: 0.5116602296389933
Energy: 0.5661420941757837
Energy: 0.5104374294235525
Energy: 0.5973148677921956
Energy: 0.4656436464782353
Energy: 0.4774278850233698
Energy: 0.5292896651356261
Energy: 0.4656776310893252
Energy: 0.4955408125108578
Energy: 0.46756192299844584
Energy: 0.5355546574493237
Energy: 0.46937619962135185
Energy: 0.5171096435531912
Energy: 0.5359694700285805
Energy: 0.47138972950917307
Energy: 0.5339904116447466
Energy: 0.46661414088921976
Energy: 0.47013892967364274
Energy: 0.4673721846375592
Energy: 0.4671337521983516
Energy: 0.4691663462814756
Energy: 0.4999041005390741
Energy: 0.5384705490891099
Energy: 0.4672210299425524
Energy: 0.46691536801367567
Energy: 0.5944800947147088
Energy: 0.46867905796357995
Energy: 0.46862564628793

minimum gb energy = 0.45535342558770525 eV
minimum distance =  2.39000675765514 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.0396840577231832
Energy: 0.6421712320792793
Energy: 0.5335541491281452
Energy: 0.5185006858525357
Energy: 0.6365862416229563
Energy: 0.598043794032133
Energy: 0.5260185701149139
Energy: 0.5145051037328127
Energy: 0.5146704415049892
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Energy: 0.5144971477928733
Energy: 0.5213854184996443
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Energy: 0.52852430365549
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Energy: 0.5371595172772797
Energy: 0.537397720738077
Energy: 0.5142137561822986
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Energy: 0.616880535840909
Energy: 0.5315619464220346
Energy: 0.6276389954567531
Energy: 0.6169275495316308
Energy: 0.5382982632803712
Energy: 0.5501822263864263
Energy: 0.580388542066513
Energy: 0.5541212722775096
Energy: 0.5484307738401429
Energy: 0.5155833949158621
Energy: 0.5273430844583785
Energy: 0.5256172701845935
Energy: 0.5370750045256094
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Energy: 0.6287840944699362
Energy: 0.5378859709367914
Energy: 0.6274993672034482
Energy: 0.5892430178432656
Energy: 0.5791793196362458
Energy: 0.536762500061847
Energy: 0.5368940594649957
Energy: 0.5246521231390587
Energy: 0.5379972313726624
Energy: 0.536976854301147
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Energy: 0.6228185415203508
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Energy: 0.6227179253383333
Energy: 0.5294006370260916
Energy: 0.6798355486355923
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Energy: 0.5304762696304836
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Energy: 0.6250842236006489
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Energy: 0.5150626255464446
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Energy: 0.5144774884670809
Energy: 0.514900979409733
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Energy: 0.5141195308307689
Energy: 0.5123018874398357
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Energy: 0.5791909546588249
Energy: 0.6652088706618609
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Energy: 0.514656575431885
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Energy: 0.5172875973355799
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Energy: 0.5171944248847751
Energy: 0.520302629713533
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Energy: 0.5475106235258348
Energy: 0.5298583402466389
Energy: 0.5144013898637948
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Energy: 0.6309201996634433
Energy: 0.5644094815879783
Energy: 0.6263718774138022
Energy: 0.5572731184299039
Energy: 0.6089522534844974
Energy: 0.5499623846230286
Energy: 0.5791048199630527
Energy: 0.547635226416239
Energy: 0.537521925487034
Energy: 0.5145563538012501
Energy: 0.5380980433788526
Energy: 0.5253660029937449
Energy: 0.5372295385096972
Energy: 0.5475089022438971
Energy: 0.5443603731520016
Energy: 0.5436703960136596
Energy: 0.6219368078043348
Energy: 0.5901270728953557
Energy: 0.5807263570762213
Energy: 0.5370334783227392
Energy: 0.5371757836268394
Energy: 0.515893034909767
Energy: 0.5369266558750624
Energy: 0.537644455270683
Energy: 0.5805575468980141
Energy: 0.5367196384465305
Energy: 0.5483330903603069
Energy: 0.5192839151009817
Energy: 0.5369827118434836
Energy: 0.5493499693767667
Energy: 0.7992154402737773
Energy: 0.5287542494037891
Energy: 0.5297947668166001
Energy: 0.5202245424835958
Energy: 0.6048511891513891
Energy: 0.5581039561194954
Energy: 0.6818821911544091
Energy: 0.49390636506076163
Energy: 0.5371284835044893
Energy: 0.5130670319445884
Energy: 0.4956206969307077
Energy: 0.5279256721898561
Energy: 0.623881352209232
Energy: 0.7392466448114335
Energy: 0.7378925898605349
Energy: 0.5407202280563912
Energy: 0.5901377871114412
Energy: 0.6657495140152115
Energy: 0.5367567059078255
Energy: 0.5273965185776278
Energy: 0.5407201027009256
Energy: 0.5361296920581546
Energy: 0.5368055442525312
Energy: 0.5367241128439738
Energy: 0.6259711966455597
Energy: 0.5154641182143238
Energy: 0.6719473639519855
Energy: 0.6258303516875101
Energy: 0.5166755721133475
Energy: 0.6259575521434538
Energy: 0.5153143393181275
Energy: 0.5162948024402434
Energy: 0.5162195243660035
Energy: 0.5151846116387085
Energy: 0.5161515826677986
Energy: 0.5274216142685729
Energy: 0.6232880510238011
Energy: 0.5253741444403022
Energy: 0.5133942757811313
Energy: 0.49756709745216426
Energy: 0.5786365403118181
Energy: 0.5145795591034686

minimum gb energy = 0.49390636506076163 eV
minimum distance =  2.37247445032824 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.6479723638414615
Energy: 0.8125406010628403
Energy: 0.9198078120104825
Energy: 0.6495124475246137
Energy: 1.3298770359061278
Energy: 0.9168579070346544
Energy: 0.5812069248103688
Energy: 0.5968601166762424
Energy: 0.5965101995443315
Energy: 0.5801906944709273
Energy: 0.5959204136740749
Energy: 0.5842185418736571
Energy: 0.5867649565883054
Energy: 0.5987904465650076
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Energy: 0.587644329051711
Energy: 0.5996460716032002
Energy: 0.584697180093297
Energy: 0.582242421823427
Energy: 0.564970661447774
Energy: 0.5802810244564529
Energy: 0.5984021853775933
Energy: 0.5802385443243554
Energy: 0.5766860828410624
Energy: 0.6080458122296734
Energy: 0.5947808897248065
Energy: 0.6018876021804156
Energy: 0.6076813524945092
Energy: 0.6003923745754955
Energy: 0.597586565143254
Energy: 0.6048065272694909
Energy: 0.613923931572934
Energy: 0.6134009848281354
Energy: 0.6046930993555409
Energy: 0.5773519682308205
Energy: 0.5793817545664964
Energy: 0.6018945982455176
Energy: 0.5819952984341451
Energy: 0.5643834962095026
Energy: 0.5965366926675176
Energy: 0.5658518192247771
Energy: 0.6349524701580066
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Energy: 0.6090594343883493
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Energy: 0.5870873737652871
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Energy: 0.644824381041324
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Energy: 0.6179425714511548
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Energy: 0.5964753936669256
Energy: 0.5858360206862252
Energy: 0.5509882214787467
Energy: 0.5962079250170689
Energy: 0.5849218455153518

minimum gb energy = 0.5484863517200643 eV
minimum distance =  2.37307219483022 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.7376489368129121
Energy: 0.5856197876380717
Energy: 0.5767937970300132
Energy: 0.7392761948118552
Energy: 0.5862156537638936
Energy: 0.5765061312721715
Energy: 0.6620197726573381
Energy: 0.5581897374868922
Energy: 0.5553472338482026
Energy: 0.7154058143999396
Energy: 0.5819551921802677
Energy: 0.5051819703550703
Energy: 0.5958146864122074
Energy: 0.5712584692260685
Energy: 0.5075834293043752
Energy: 0.5954554821913824
Energy: 0.5719651353694846
Energy: 0.5086547332767273
Energy: 0.595042740556684
Energy: 0.5065010643578273
Energy: 0.5065219455509715
Energy: 0.5951230157193717
Energy: 0.5905802367646237
Energy: 0.507142795097797
Energy: 0.5795525283022172
Energy: 0.5592055616330802
Energy: 0.5583667506071637
Energy: 0.5798442468108613
Energy: 0.6451252527036988
Energy: 0.5820322436833018
Energy: 0.5813115638341162
Energy: 0.5960564773939806
Energy: 0.5658226311768633
Energy: 0.5815329314390891
Energy: 0.6536797054741453
Energy: 0.5822677941676087
Energy: 0.7675954731501052
Energy: 0.5809844351531729
Energy: 0.5069531740736636
Energy: 0.7692985593015077
Energy: 0.5806265130242206
Energy: 0.5068220425062494

minimum gb energy = 0.5051819703550703 eV
minimum distance =  2.44843942287123 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.954606501317875
Energy: 1.1852800493958124
Energy: 0.7150723696636847
Energy: 0.9524910049181217
Energy: 0.8089851320212761
Energy: 0.7105881422820403
Energy: 0.6017734360403969
Energy: 0.6923452053973662
Energy: 0.6502889932639891
Energy: 0.7321594084749634
Energy: 0.6941380214465585
Energy: 0.6497713139001471
Energy: 0.7546766084915077
Energy: 0.6566005543665121
Energy: 0.7034562324726861
Energy: 0.7554175158566682
Energy: 0.6706627656543972
Energy: 0.757006212373124
Energy: 0.6058776133442115
Energy: 0.6499692533881529
Energy: 0.6018102833207396
Energy: 0.6071301222157949
Energy: 0.6868119840569453
Energy: 0.6026858011270451
Energy: 0.6116085394648688
Energy: 0.6556915370403539
Energy: 0.6053972405543294
Energy: 0.6125508879505984
Energy: 0.7005872940221458
Energy: 0.6040800536638661
Energy: 0.7280297349072627
Energy: 0.7343444413605713
Energy: 0.7407514121427814
Energy: 0.7291421300278224
Energy: 0.6619032538935626
Energy: 0.7371785821364156
Energy: 0.6016062831732777
Energy: 0.6899885485241437
Energy: 0.6972598139126434
Energy: 0.7399510214127782
Energy: 0.6881340918338876
Energy: 0.6927483498983137
Energy: 0.9295718097716038
Energy: 0.8073520105188686
Energy: 0.695909840268015
Energy: 0.9300876424432893
Energy: 0.8302356333921876
Energy: 0.757242830396352
Energy: 0.6048451700230515
Energy: 0.6964971453623343
Energy: 0.6920410548617619
Energy: 0.6259766579599202
Energy: 0.6364790953973454
Energy: 0.6908712994937524
Energy: 0.7967951125657727
Energy: 0.6036055713010283
Energy: 0.7119224498675745
Energy: 0.7848537619703579
Energy: 0.8129883711336403
Energy: 0.7309452326933743
Energy: 0.7117051899833476
Energy: 0.6912016654033554
Energy: 0.6961040698758937
Energy: 0.7127068883522227
Energy: 0.6950974970081084
Energy: 0.6953504399527841
Energy: 0.6934690290361355
Energy: 0.7250916949270363
Energy: 0.7396007316883885
Energy: 0.6925438021097889
Energy: 0.7162770520264042
Energy: 0.6800317561253797
Energy: 0.7736938018133195
Energy: 0.6052834894098473
Energy: 0.6053194895873274
Energy: 0.7727517849306048
Energy: 0.6050705831473041
Energy: 0.655276238983155
Energy: 0.6811244184769227
Energy: 0.6083532848398675
Energy: 0.6013326241423514
Energy: 0.6914269462858227
Energy: 0.6061291027577179
Energy: 0.6010676141290329
Energy: 0.8354870296641422
Energy: 0.6078347267376483
Energy: 0.7814148405068875
Energy: 0.8369440652967132
Energy: 0.6067633847848246
Energy: 0.7574006162548286
Energy: 0.6902837715466572
Energy: 0.6352848431136927
Energy: 0.6393139551922439
Energy: 0.6917271601328646
Energy: 0.7350397689583769
Energy: 0.6359174389119994
Energy: 0.8027776213096082
Energy: 0.6946754993738837
Energy: 0.693474860011223
Energy: 0.8033397772841175
Energy: 0.6754311264939975
Energy: 0.7746810048042378
Energy: 0.6713471597690859
Energy: 0.6944802677303082
Energy: 0.6412438139225969
Energy: 0.6641262199527549
Energy: 0.6975808672066381
Energy: 0.6361479171081584
Energy: 0.6645499090134512
Energy: 0.7590430412670192
Energy: 0.7543210568586549
Energy: 0.6638942927097051
Energy: 0.7501461675534211
Energy: 0.6280290541055026
Energy: 0.8315910687991748
Energy: 0.6447167812953952
Energy: 0.6424624191820256
Energy: 0.6649696059178904
Energy: 0.6495840581790011
Energy: 0.6302478240481484
Energy: 0.6762805254652243
Energy: 0.6408899722205004
Energy: 0.642571851096426
Energy: 0.6627138221227972
Energy: 0.630712666619005
Energy: 0.6379157227846162
Energy: 0.7392441008975774
Energy: 0.7324115504641591
Energy: 0.7462523564006627
Energy: 0.7409082367970321
Energy: 0.7511108927174117
Energy: 0.7374651332857003
Energy: 0.6618448950311543
Energy: 0.6653533610430264
Energy: 0.6714800138494654
Energy: 0.6638768526018729
Energy: 0.688073081276569
Energy: 0.6687194946713809
Energy: 0.675258886584543
Energy: 0.6880569472507752
Energy: 0.6877733840841588
Energy: 0.6761764913710162
Energy: 0.9316486553925308
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Energy: 0.6045730805517074
Energy: 0.686419578876051
Energy: 0.6916130787909637
Energy: 0.6055843494216209
Energy: 0.6874185092730153
Energy: 0.6883796752448171
Energy: 0.823927068426371
Energy: 0.7504538826726782
Energy: 0.7526139430225406
Energy: 0.6935481208845631
Energy: 0.7826233342200077
Energy: 0.6901433265136082
Energy: 0.6080181226075193
Energy: 0.7491203010337296
Energy: 0.6839129175690756
Energy: 0.6950836774823439
Energy: 0.7678128917495486
Energy: 0.6924899174309915
Energy: 0.6067045462840135
Energy: 0.6853798157965503
Energy: 0.6930267809831699
Energy: 0.6067699425249101
Energy: 0.6891692864642868
Energy: 0.6928756871866953
Energy: 0.6329008977347287
Energy: 0.6390271447487825
Energy: 0.6451035597143416
Energy: 0.631366148209331
Energy: 0.8773433307975603
Energy: 0.6275694284854759
Energy: 0.6153894139098178
Energy: 0.6174544679879989
Energy: 0.616899781240737
Energy: 0.617139235878847
Energy: 0.6674185200531776
Energy: 0.6173127392429087
Energy: 0.7203053550611057
Energy: 0.6932241138614319
Energy: 0.6868066919502551
Energy: 0.7221871755593117
Energy: 0.8288913941026764
Energy: 0.6812896225315395
Energy: 0.6275847399170379
Energy: 0.6833812820266715
Energy: 0.6780089578273715
Energy: 0.6250184562012474
Energy: 0.6672324831463505
Energy: 0.6772481322182244
Energy: 0.9142431718210509
Energy: 0.717494402678826
Energy: 0.7113687493129238
Energy: 0.8770600314034076
Energy: 0.7148662875811905
Energy: 0.6746831657131005
Energy: 0.6264879933353227
Energy: 0.7116587236697104
Energy: 0.7080180838281228
Energy: 0.6924533134300638
Energy: 0.6812050535039857
Energy: 0.6847271079918125
Energy: 0.6345318449231995
Energy: 0.6909014485106186
Energy: 0.6958701537721937
Energy: 0.6348485852173749
Energy: 0.6952329614141645
Energy: 0.6816251969238638
Energy: 0.7250136475958212
Energy: 0.6324608345748896
Energy: 0.6790089092745893
Energy: 0.7261259909072011
Energy: 0.605633649672694
Energy: 0.6959563202868456
Energy: 0.6889511341235165
Energy: 0.646269164268829
Energy: 0.6769104786082834
Energy: 0.6908773327834087
Energy: 0.6170934034286758
Energy: 0.6771521645279535
Energy: 0.7822865151929139
Energy: 0.6576783653598506
Energy: 0.7423398950995306
Energy: 0.7839023791933213
Energy: 0.7087256007042575
Energy: 0.7532040241445843
Energy: 0.6946502189203383
Energy: 0.6086618590023556
Energy: 0.6015677490680554
Energy: 0.6912163445830094
Energy: 0.6059247973343806
Energy: 0.6016044194141855
Energy: 0.8317245562076669
Energy: 0.6127357681639224
Energy: 0.6067374916672736
Energy: 0.832935971226453
Energy: 0.6113140972937303
Energy: 0.6072988178085439
Energy: 0.6901419953755389
Energy: 0.714697774803201
Energy: 0.6614677098632916
Energy: 0.6928037506290982
Energy: 0.6116143899737427
Energy: 0.6332757072145063
Energy: 0.8421641434728938
Energy: 0.6978789619060318
Energy: 0.6975481806117922
Energy: 0.7016135748861613
Energy: 0.6935406781679928
Energy: 0.6608901222668155
Energy: 0.8084902256364005
Energy: 0.6461444864001121
Energy: 0.7148718376426858
Energy: 0.8189774304399596
Energy: 0.6697289016223325
Energy: 0.742628241282341
Energy: 0.6473106329982982
Energy: 0.6545497146576217
Energy: 0.6521617238716095
Energy: 0.690338562271917
Energy: 0.6355009983423536
Energy: 0.6482041468608655
Energy: 0.8982671100478182
Energy: 0.6579502904641945
Energy: 0.6606548643630147
Energy: 0.8991639562909267
Energy: 0.6532353807261937
Energy: 0.6580036764271444
Energy: 0.6418486970314193
Energy: 0.6532360572440254
Energy: 0.6572057006027919
Energy: 0.6729320851128333
Energy: 0.6497342195407152
Energy: 0.6484692924170469
Energy: 0.7410172411181329
Energy: 0.7290848019966457
Energy: 0.7228933952450545
Energy: 0.742444376133704
Energy: 0.7279254961605004
Energy: 0.7413789118582251
Energy: 0.6607704594515351
Energy: 0.7214004582895458
Energy: 0.6506814779917407
Energy: 0.6598163056174797
Energy: 0.6449513198917702
Energy: 0.6515948390993608
Energy: 0.6453543068489704
Energy: 0.6040348224132566
Energy: 0.6520483369485176
Energy: 0.6465865416300651
Energy: 0.6996303464653509
Energy: 0.6489282015828474
Energy: 0.7467799811880073
Energy: 0.6047834175924167
Energy: 0.6787056711440191
Energy: 0.7478516462782084
Energy: 0.6295473546525314
Energy: 0.6871927615736907
Energy: 0.5985328946550982
Energy: 0.6929794419580504
Energy: 0.6504347496825641
Energy: 0.7763996340016311
Energy: 0.6589172975326348
Energy: 0.6495355288506794

minimum gb energy = 0.5985328946550982 eV
minimum distance =  2.37357309137606 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.1356657924547755
Energy: 0.7529636419435247
Energy: 0.64400173677222
Energy: 0.7185847958213744
Energy: 0.7355773196651266
Energy: 0.6439535989227342
Energy: 0.6219136349236215
Energy: 0.6332933685506833
Energy: 0.6562706933532177
Energy: 0.6378475222679002
Energy: 0.6342657429073151
Energy: 0.6435790722903577
Energy: 0.6862861009593016
Energy: 0.7227450463462688
Energy: 0.7326799431623278
Energy: 0.6841430225284274
Energy: 0.7249889606629818
Energy: 0.7025323067030265
Energy: 0.6222407913721966
Energy: 0.6541005516062147
Energy: 0.6221375882420438
Energy: 0.6224193274990295
Energy: 0.5903201844567212
Energy: 0.6195765776464087
Energy: 0.6214173922293654
Energy: 0.6496320983595344
Energy: 0.663594737899201
Energy: 0.6213763679673387
Energy: 0.6561365534165994
Energy: 0.6260441475786129
Energy: 0.7735753026439661
Energy: 0.6475678524661779
Energy: 0.6521878804159414
Energy: 0.7732100202402067
Energy: 0.6524481617968823
Energy: 0.6934583230124391
Energy: 0.7492242649552443
Energy: 0.6345201759554617
Energy: 0.620421509024347
Energy: 0.7638575026128173
Energy: 0.6350852136883554
Energy: 0.6482778405894049
Energy: 0.9073830042890223
Energy: 0.7303653984566567
Energy: 0.7878407553129322
Energy: 0.6847394595825225
Energy: 0.8838927635888952
Energy: 0.6767065243741821
Energy: 0.7912110987143789
Energy: 0.6467745864453966
Energy: 0.6531921268325706
Energy: 0.7644483042027193
Energy: 0.6366834890599017
Energy: 0.6537483249982494
Energy: 0.6799313046080369
Energy: 0.5891526571307873
Energy: 0.5895786321174555
Energy: 0.6802163544939568
Energy: 0.5863449243034533
Energy: 0.5898131819642048
Energy: 0.6600054785957892
Energy: 0.5802466195849958
Energy: 0.5803893636266536
Energy: 0.6616049844296731
Energy: 0.5836904949534586
Energy: 0.6502991723551517
Energy: 0.6270551333955855
Energy: 0.7204941911008094
Energy: 0.7107120172817024
Energy: 0.6275493279574881
Energy: 0.7344904122112551
Energy: 0.6537455190320887
Energy: 0.722681950256594
Energy: 0.6385953012453149
Energy: 0.6839033804939855
Energy: 0.7242146749063969
Energy: 0.6387390722095443
Energy: 0.732497526035008
Energy: 0.6358593820240467
Energy: 0.6278200613006583
Energy: 0.593868442010836
Energy: 0.6363875096003656
Energy: 0.6295048087351736
Energy: 0.6462364698581531
Energy: 0.7595391000478233
Energy: 0.6629874720058035
Energy: 0.7107013950780423
Energy: 0.7599483714065534
Energy: 0.6450216008593307
Energy: 0.6952465114393103
Energy: 0.6317120035407311
Energy: 0.6550685097638708
Energy: 0.6521527761380932
Energy: 0.6325831788160047
Energy: 0.7592242184849249
Energy: 0.6526178384801425
Energy: 0.759083791164564
Energy: 0.6587436653257495
Energy: 0.6583505784544368
Energy: 0.7573953173279305
Energy: 0.6758851673917206
Energy: 0.6580070866928497
Energy: 0.5986659220057226
Energy: 0.6813025257989314
Energy: 0.677162109944195
Energy: 0.5993113543575136
Energy: 0.6520767094853435
Energy: 0.623755270442638
Energy: 0.5807949460534259
Energy: 0.712198045927614
Energy: 0.5816927250188758
Energy: 0.5825582417011202
Energy: 0.7009661768366058
Energy: 0.5818567719956271
Energy: 0.5820558667580662
Energy: 0.680189615968536
Energy: 0.5839918221396997
Energy: 0.5820095896172996
Energy: 0.6708336612779768
Energy: 0.5841832229965329
Energy: 0.5986897386533848
Energy: 0.6459426660885934
Energy: 0.6805695053814509
Energy: 0.6348938985956875
Energy: 0.6510680569310497
Energy: 0.6229777654297004
Energy: 0.6892336141244767
Energy: 0.7266142230935491
Energy: 0.7286514411267758
Energy: 0.6901484125395321
Energy: 0.7285833197985392
Energy: 0.727099174746038
Energy: 0.6332684600384428
Energy: 0.5982631341801126
Energy: 0.5988083655406485
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Energy: 0.6698153319699738
Energy: 0.5983181137977652
Energy: 0.645959270286117
Energy: 0.7033309903637176
Energy: 0.703919114367814
Energy: 0.644591217220253
Energy: 0.7638656819713084
Energy: 0.6950073633146796
Energy: 0.7642030012642471
Energy: 0.6189306069093188
Energy: 0.6201905510815431
Energy: 0.7645408875754062
Energy: 0.6308524701337387
Energy: 0.6561646106473603
Energy: 0.6695468702727863
Energy: 0.7555253095180862
Energy: 0.7556564242614568
Energy: 0.6864327007051543
Energy: 0.7561911738711927
Energy: 0.6187310242897274
Energy: 0.6682998281721007
Energy: 0.6660120635777492
Energy: 0.6762884258926187
Energy: 0.677200710387843
Energy: 0.5951076648898956
Energy: 0.6520984131285528
Energy: 0.7855754651540435
Energy: 0.5804388554226705
Energy: 0.6511754297671082
Energy: 0.7867208891060784
Energy: 0.5836180093490568
Energy: 0.6503409178245001
Energy: 0.6713432309598943
Energy: 0.59103193770564
Energy: 0.5897586502048516
Energy: 0.6714592158013329
Energy: 0.5858446121979416
Energy: 0.6787391156791103
Energy: 0.6655633402044798
Energy: 0.6629282056216542
Energy: 0.6512028593482637
Energy: 0.6628336648357409
Energy: 0.637394257179707
Energy: 0.6532135426163674
Energy: 0.7244021373430112
Energy: 0.6545559329201371
Energy: 0.7113554426234227
Energy: 0.7255155808653118
Energy: 0.6519803648916723
Energy: 0.7269131659409003
Energy: 0.6218614443746838
Energy: 0.6273789127261085
Energy: 0.5953532520041173
Energy: 0.6392640304228133
Energy: 0.6315773336994378
Energy: 0.6301723499140348
Energy: 0.6816113730457233
Energy: 0.6368433082635381
Energy: 0.6506264098106962
Energy: 0.705242902798547
Energy: 0.638097430604807
Energy: 0.650566975143318
Energy: 0.6251447243399981
Energy: 0.69749124322556
Energy: 0.6674990376521603
Energy: 0.6242674917795216
Energy: 0.7789528152860291
Energy: 0.6577166938625176
Energy: 0.6256249879640873
Energy: 0.6438106034742087
Energy: 0.6470095517204155
Energy: 0.6243928023085471
Energy: 0.6267412504500818
Energy: 0.6472957987707617
Energy: 0.7525834975700579
Energy: 0.6868516626908086
Energy: 0.6771370684702521
Energy: 0.7527673142931476
Energy: 0.6857163048029997
Energy: 0.752894562329663
Energy: 0.6186982438867963
Energy: 0.6333448778006838
Energy: 0.6432474683586331
Energy: 0.6378189244498753
Energy: 0.7591942453141542
Energy: 0.642465276358609
Energy: 0.7778097500408768
Energy: 0.7009282289350567
Energy: 0.6444410799070714
Energy: 0.6262300377990684
Energy: 0.7010589464703677
Energy: 0.6449754657931908

minimum gb energy = 0.5802466195849958 eV
minimum distance =  2.40075739697631 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.0921203767889913
Energy: 0.7485820724763872
Energy: 0.7203760167164766
Energy: 1.08932335605573
Energy: 0.7673040046494647
Energy: 0.6561112469863832
Energy: 0.7201155905961992
Energy: 0.6669362061383649
Energy: 0.7095594246778378
Energy: 0.7127133107301874
Energy: 0.6659020695172763
Energy: 0.675455444480892
Energy: 0.6200832872955311
Energy: 0.5904415646986088
Energy: 0.5919884726706431
Energy: 0.6201492435819516
Energy: 0.5910104440590772
Energy: 0.6112286507419187
Energy: 0.6101973142361174
Energy: 0.5907331100230824
Energy: 0.6092768609509196
Energy: 0.6102385683215202
Energy: 0.7713338488426783
Energy: 0.6091211311773191
Energy: 0.6095528614486988
Energy: 0.619382336680032
Energy: 0.6485612270573275
Energy: 0.6096864227249916
Energy: 0.6107819317835331
Energy: 0.6096206928743172
Energy: 0.735615084112395
Energy: 0.6103619865693038
Energy: 0.6933900272806953
Energy: 0.737824741562388
Energy: 0.6116570601944112
Energy: 0.7445116030807986
Energy: 0.6104307535334039
Energy: 0.6090679260617169
Energy: 0.6087072584786167
Energy: 0.6094690369985688
Energy: 0.6088913810280786
Energy: 0.6085430400733512
Energy: 0.881757509779388
Energy: 0.6208031692616194
Energy: 0.6224203536341165
Energy: 0.8829720219883014
Energy: 0.6205232420382406
Energy: 0.7998417544507406
Energy: 0.6594034168091755
Energy: 0.6093303433135882
Energy: 0.6097112875112465
Energy: 0.6518193939475182
Energy: 0.731739227670393
Energy: 0.6753209013951129
Energy: 0.6678413053022616
Energy: 0.6096045698798668
Energy: 0.6596424350206757
Energy: 0.6110624529885879
Energy: 0.6095550774841056
Energy: 0.7149035895176382
Energy: 0.5895292693563304
Energy: 0.7204436789971542
Energy: 0.7206033184430207
Energy: 0.5894800894812042
Energy: 0.6151533344350016
Energy: 0.7091682129271009
Energy: 0.7343298501880623
Energy: 0.6973054611929919
Energy: 0.6095424529172067
Energy: 0.5914213456945532
Energy: 0.829902386018581
Energy: 0.6091469476221384
Energy: 0.9427610778791402
Energy: 0.6097152074040462
Energy: 0.6507716866731069
Energy: 0.5922584444688964
Energy: 0.6653449221393408
Energy: 0.6263782206737232
Energy: 0.5886921153804253
Energy: 0.6091042425890115
Energy: 0.6757734206781353
Energy: 0.5886342930443539
Energy: 0.6590643842210933
Energy: 0.7088130610625746
Energy: 0.5895597512983157
Energy: 0.7518580835095978
Energy: 0.5904746818014306
Energy: 0.58909580358269
Energy: 0.7411686048694421
Energy: 0.6847426350681837
Energy: 0.5884829933402743
Energy: 0.588680260475294
Energy: 0.5888010792084439
Energy: 0.5899517000330863
Energy: 0.6696571363533486
Energy: 0.5886847234365428
Energy: 0.5886884841421754
Energy: 0.5890439540203526
Energy: 0.5892201853590854
Energy: 0.5888351076458913
Energy: 0.7626861745233173
Energy: 0.5892194037466355
Energy: 0.7065988992452668
Energy: 0.7214911619415704
Energy: 0.668869691314784
Energy: 0.7059929116252552
Energy: 0.6645109889141633
Energy: 0.6674978348717862
Energy: 0.6562806562929848
Energy: 0.6644508043238354
Energy: 0.6677500966594068
Energy: 0.6868739945243163
Energy: 0.7028570001417365
Energy: 0.6082393280589017
Energy: 0.6103511756713732
Energy: 0.7810612112736
Energy: 0.6673342910926637
Energy: 0.700215636749169
Energy: 0.5891725134459554
Energy: 0.6094733801679992
Energy: 0.7030241149465442
Energy: 0.671363743830954
Energy: 0.7240934659143801
Energy: 0.7032919367974728
Energy: 0.6191761755683901
Energy: 0.7238906465276518
Energy: 0.7472821954605519
Energy: 0.6526209887858719
Energy: 0.7364460259432826
Energy: 0.7479914631804393
Energy: 0.6282257696057587
Energy: 0.7366513344219416
Energy: 0.6598465401194314
Energy: 0.6687573348062638
Energy: 0.7224531451285076
Energy: 0.6594702567417757
Energy: 0.6584659517514314
Energy: 0.7223131760595635
Energy: 0.8125196583790296
Energy: 0.588959441099271
Energy: 0.6759768199750313
Energy: 0.7294767206678643
Energy: 0.5887934511836614
Energy: 0.6763964243630378
Energy: 0.6797078257994801
Energy: 0.5886905818604689
Energy: 0.5886465272875875
Energy: 0.6724042513938364
Energy: 0.5887670783907059
Energy: 0.5888584866483698
Energy: 0.7307987319020052
Energy: 0.5891268329782627
Energy: 0.5891115536047697
Energy: 0.7381883682223884
Energy: 0.5893298849814276
Energy: 0.5897638437055218
Energy: 0.6616291639715265
Energy: 0.5885317640498534
Energy: 0.7476010109744573
Energy: 0.6091583149054897
Energy: 0.7228276748798979
Energy: 0.6776383831496141
Energy: 0.6623576694203251
Energy: 0.7000807146750093
Energy: 0.6748061301422443
Energy: 0.6576974264934006
Energy: 0.6055985447681304
Energy: 0.6098787669705834
Energy: 0.7021009843512069
Energy: 0.608869967172236
Energy: 0.6098680701309824
Energy: 0.7021547430792691
Energy: 0.6649416642458158
Energy: 0.7588259831836638
Energy: 0.7117248137284001
Energy: 0.6670633144771569
Energy: 0.6756126857015987
Energy: 0.6766084768950781
Energy: 0.6066377268519921
Energy: 0.6756119779518214
Energy: 0.5942720335621156
Energy: 0.78985358953298
Energy: 0.7469696363102404
Energy: 0.6521761920296135
Energy: 0.8482983463040651
Energy: 0.7152097688534518

minimum gb energy = 0.5884829933402743 eV
minimum distance =  2.32884459107205 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.7698324665070169
Energy: 0.6466883997358348
Energy: 0.6834717119975464
Energy: 0.7706275617882183
Energy: 0.6474743055196384
Energy: 0.6784590071362018
Energy: 0.5960936110648063
Energy: 0.6212813268279007
Energy: 0.6147550199841259
Energy: 0.619895851477234
Energy: 0.6203134658453573
Energy: 0.7025534344906993
Energy: 0.6330013121995332
Energy: 0.5520751909792001
Energy: 0.6502897862362941
Energy: 0.6336271494427823
Energy: 0.7667504438463502
Energy: 0.6513189658085528
Energy: 0.6160542428527299
Energy: 0.5521276415501309
Energy: 0.5520369724024047
Energy: 0.615075240196183
Energy: 0.67124679407919
Energy: 0.6142987006353967
Energy: 0.6138738659154709
Energy: 0.5782552199741662
Energy: 0.578933783019242
Energy: 0.6140972083730358
Energy: 0.6678218852063669
Energy: 0.5790281215144838
Energy: 0.646256275601463
Energy: 0.6168835995364669
Energy: 0.5772503966546106
Energy: 0.7423863598713872
Energy: 0.6665359627072255
Energy: 0.6667177174007624
Energy: 0.6672477367940944
Energy: 0.6140340276400882
Energy: 0.6140415067534708
Energy: 0.6677940746910286
Energy: 0.6147323333127906
Energy: 0.6144718188746952
Energy: 0.7250870202049808
Energy: 0.7108277464266931
Energy: 0.7114822539968446
Energy: 0.7255406944685314
Energy: 0.6219520829434281
Energy: 0.7105206651038607
Energy: 0.6190159750134175
Energy: 0.6148494353653022
Energy: 0.615226503775238
Energy: 0.6190228148525361
Energy: 0.6204674997641433
Energy: 0.6162427165750717
Energy: 0.7548765060180527
Energy: 0.6124986873621742
Energy: 0.6313695691833814
Energy: 0.7556473346218167
Energy: 0.7328876516257853
Energy: 0.632966524984449
Energy: 0.6467552220935984
Energy: 0.6954779993604973
Energy: 0.7049173114005299
Energy: 0.647511003372014
Energy: 0.6165562661278522
Energy: 0.6163040496732992
Energy: 0.5510852887778168
Energy: 0.6253535714573951
Energy: 0.6174401620320691
Energy: 0.552601075162686
Energy: 0.7303602456587842
Energy: 0.6666406843672718
Energy: 0.5526956121022035
Energy: 0.7095321722803513
Energy: 0.6652287976280716
Energy: 0.6660601879476361
Energy: 0.6325524463001897
Energy: 0.6657616382747118
Energy: 0.6464454527057077
Energy: 0.6204204835790315
Energy: 0.7033691913015281
Energy: 0.62126853117522
Energy: 0.6199390046543712
Energy: 0.615565919822642
Energy: 0.6220973591476454
Energy: 0.7340021303337771
Energy: 0.7332362940544924
Energy: 0.6227440876999016
Energy: 0.7722386669045459
Energy: 0.7373202120412864
Energy: 0.612561886753402
Energy: 0.6263040954311382
Energy: 0.6134744984688051
Energy: 0.6136055712310953
Energy: 0.6687941568342819
Energy: 0.6126045866885317
Energy: 0.6675966967212502
Energy: 0.7424725879333784
Energy: 0.6680172527645697
Energy: 0.667228215385788
Energy: 0.6923260189974779
Energy: 0.5804761614317472
Energy: 0.6169244837517195
Energy: 0.614899274590338
Energy: 0.5800807528792418
Energy: 0.6178035776420583
Energy: 0.614939554218008
Energy: 0.5770625897453693
Energy: 0.6209172836262138
Energy: 0.6179472951028798
Energy: 0.6179636229264692
Energy: 0.6211882826366593
Energy: 0.6176711818138056
Energy: 0.6175324660878315
Energy: 0.6577578672061578
Energy: 0.8136843138706457
Energy: 0.7104108941247177
Energy: 0.621627137950219
Energy: 0.6356717156736199
Energy: 0.6162300727520653
Energy: 0.6221980468185274
Energy: 0.6160533258522679
Energy: 0.7025907523398771
Energy: 0.6221010227557542
Energy: 0.6204154756547943
Energy: 0.6151114479603693
Energy: 0.751287955307993
Energy: 0.701966732430551
Energy: 0.702297282857349
Energy: 0.7514261057967344
Energy: 0.7330885987727509
Energy: 0.7040288440727481
Energy: 0.6467243437870777
Energy: 0.6198457706426622
Energy: 0.7032730232318017
Energy: 0.620867625764575
Energy: 0.6194423041621786
Energy: 0.7018857897808558
Energy: 0.5524931018365433
Energy: 0.8138656771451085
Energy: 0.6651055272391345
Energy: 0.6660229870776123
Energy: 0.6472311408737969
Energy: 0.665216132607557

minimum gb energy = 0.5510852887778168 eV
minimum distance =  2.39916196076323 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.8605084509919744
Energy: 0.7336343448816512
Energy: 0.7764243470264759
Energy: 0.8614139792681347
Energy: 0.7334310966006791
Energy: 0.7578750915219503
Energy: 0.591886424380314
Energy: 0.7457788249524738
Energy: 0.6568172183296018
Energy: 0.6626736686794718
Energy: 0.6567818087736829
Energy: 0.7391621555399038
Energy: 0.8019708059342343
Energy: 0.6297644335134889
Energy: 0.5908930628006394
Energy: 0.803072408019139
Energy: 0.6293961984149254
Energy: 0.5915770077760809
Energy: 0.6575032517601721
Energy: 0.6106329066161755
Energy: 0.5911130770428382
Energy: 0.6573766230742943
Energy: 0.6295312513525113
Energy: 0.6563427517724315
Energy: 0.5817704148132434
Energy: 0.6471796230415879
Energy: 0.6447598508855017
Energy: 0.5823652250397964
Energy: 0.576483205943722
Energy: 0.6629826918873489
Energy: 0.5930038133895993
Energy: 0.5746728613822488
Energy: 0.5758732469347565
Energy: 0.6663313415519567
Energy: 0.5744717031541531
Energy: 0.6320723622804066
Energy: 0.5742917735206867
Energy: 0.5749843516131369
Energy: 0.5743587308832437
Energy: 0.5748629586875851
Energy: 0.576861220988509
Energy: 0.5749249602540997
Energy: 0.7121695776392407
Energy: 0.6797132035295731
Energy: 0.6965121040770912
Energy: 0.7136489283320834
Energy: 0.6181435256880755
Energy: 0.6958635698422561
Energy: 0.5754593720832087
Energy: 0.6251800988396787
Energy: 0.6266129304240411
Energy: 0.5768390750215201
Energy: 0.6110753273950446
Energy: 0.5747372169454439
Energy: 0.5747282695449493
Energy: 0.5764519228797379
Energy: 0.5764641777193084
Energy: 0.5747678573478503
Energy: 0.5941990927747849
Energy: 0.5750945892227172
Energy: 0.7245486561438768
Energy: 0.6359592328886735
Energy: 0.6636564959910359
Energy: 0.6564088449728505
Energy: 0.693979405768974
Energy: 0.6445207703600716
Energy: 0.6538035026620976
Energy: 0.6548477019876096
Energy: 0.6556049125619823
Energy: 0.6539236101921705
Energy: 0.6553118590010442
Energy: 0.6553546628167484
Energy: 0.7864009484798464
Energy: 0.702326500786738
Energy: 0.656306144318944
Energy: 0.6527212951829738
Energy: 0.8052390948187399
Energy: 0.6557194490405053
Energy: 0.7399630169162724
Energy: 0.6556867569386029
Energy: 0.6551200045175056
Energy: 0.739152483481836
Energy: 0.6555171372975697
Energy: 0.6555437221581338
Energy: 0.735186921072334
Energy: 0.6612702913169302
Energy: 0.7032302640511889
Energy: 0.7346387812732339
Energy: 0.6543424748360096
Energy: 0.7031948030882774
Energy: 0.7819701976830661
Energy: 0.6572208964079653
Energy: 0.7449099205654863
Energy: 0.7807092343570398
Energy: 0.6625548072961762
Energy: 0.7403926862489992
Energy: 0.7151219809686209
Energy: 0.7017922007374606
Energy: 0.7180758577196237
Energy: 0.7153420831123983
Energy: 0.8030890268308504
Energy: 0.717466611104101

minimum gb energy = 0.5742917735206867 eV
minimum distance =  2.3768105348386 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.9068699724828609
Energy: 0.7074943073967052
Energy: 0.6277042271809206
Energy: 0.7280639897613859
Energy: 0.7069712070355549
Energy: 0.6293576908448738
Energy: 0.7262789331993913
Energy: 0.655629891959574
Energy: 0.653433025936954
Energy: 0.6542885158611708
Energy: 0.6531010846750198
Energy: 0.6681612952497566
Energy: 0.7432969472324527
Energy: 0.5583175008941345
Energy: 0.5969026665903334
Energy: 0.7445546689943423
Energy: 0.6160480297206601
Energy: 0.6020604689058807
Energy: 0.6654988508269633
Energy: 0.6260908379505391
Energy: 0.5917746748022051
Energy: 0.6672299504950834
Energy: 0.5921543457779735
Energy: 0.5921613562586223
Energy: 0.6359249714637905
Energy: 0.585859835125954
Energy: 0.585462527670933
Energy: 0.6370972134594245
Energy: 0.5859779744834067
Energy: 0.6567821938706025
Energy: 0.762342627017899
Energy: 0.5658930921197263
Energy: 0.5566192948121047
Energy: 0.5869780977285779
Energy: 0.5655084582554064
Energy: 0.5560035195237465
Energy: 0.6173933097958233
Energy: 0.5743261980811465
Energy: 0.5664708672989958
Energy: 0.6104845349156601
Energy: 0.570917988052774
Energy: 0.605924437854463
Energy: 0.6741077149551762
Energy: 0.606670903470521
Energy: 0.5902800453203222
Energy: 0.6742946409163275
Energy: 0.5906145932277593
Energy: 0.586000486876797
Energy: 0.5333210891237455
Energy: 0.6083061777701257
Energy: 0.5315211150576911
Energy: 0.5334874513810282
Energy: 0.566289201648012
Energy: 0.5319298197393126
Energy: 0.5311954810874915
Energy: 0.6432159596673883
Energy: 0.6180372493156502
Energy: 0.5312990726702183
Energy: 0.6237473290248232
Energy: 0.618796481146507
Energy: 0.6879845041652403
Energy: 0.5322335447434239
Energy: 0.6157206223595179
Energy: 0.6027572231510206
Energy: 0.5315567036022928
Energy: 0.6173254985540869
Energy: 0.5663960942038239
Energy: 0.5396969306363383
Energy: 0.5322211648918228
Energy: 0.566614144602357
Energy: 0.5360088259319395
Energy: 0.5322788225236499
Energy: 0.572153566773007
Energy: 0.589950088408089
Energy: 0.6082289658290049
Energy: 0.5826960264656725
Energy: 0.6759733409623891
Energy: 0.6096254660386208
Energy: 0.5707099533292799
Energy: 0.6380904010045705
Energy: 0.6065833314107482
Energy: 0.5664951172946431
Energy: 0.6098556664071113
Energy: 0.5654339431208484
Energy: 0.5682387876946068
Energy: 0.6233277454131957
Energy: 0.6212899840978388
Energy: 0.5682367394571826
Energy: 0.625812081290389
Energy: 0.5698291787839465
Energy: 0.6949314226463675
Energy: 0.6421258611387493
Energy: 0.6576202828862566
Energy: 0.6391354093316239
Energy: 0.6647414367514451
Energy: 0.6279176655767741
Energy: 0.6765720537855395
Energy: 0.6599224696114177
Energy: 0.6487581141727772
Energy: 0.6480182314291484
Energy: 0.6701815838045684
Energy: 0.5653562586360897
Energy: 0.6544038885994521
Energy: 0.6797033975622001
Energy: 0.6681959727355351
Energy: 0.6482264681570219
Energy: 0.7450040611298048
Energy: 0.5812257616163373
Energy: 0.7119861355632807
Energy: 0.6453131533879638
Energy: 0.6671497110113294
Energy: 0.7118915759549375
Energy: 0.6532025768304701
Energy: 0.6358321156432198
Energy: 0.7331358441586203
Energy: 0.6376625278766748
Energy: 0.6377213790231843
Energy: 0.7341898386736666
Energy: 0.6358859164944846
Energy: 0.7300349091006445
Energy: 0.7225495333600911
Energy: 0.6606078393585368
Energy: 0.6480709522371324
Energy: 0.7241852314313029
Energy: 0.6543647198853478
Energy: 0.64821432780021
Energy: 0.7309629200601138
Energy: 0.6813524339641637
Energy: 0.7037305122857548
Energy: 0.590063289087277
Energy: 0.7475247952572545
Energy: 0.6045881042873152
Energy: 0.6562606956219085
Energy: 0.6543429649493742
Energy: 0.6547890469079093
Energy: 0.6568676030542098
Energy: 0.6540224237602024
Energy: 0.7156650733540443
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Energy: 0.6275286406803406
Energy: 0.6546567515967008
Energy: 0.743184999766348
Energy: 0.6191708192840161
Energy: 0.6577479863147988
Energy: 0.6620783948308381
Energy: 0.6098861483329062
Energy: 0.6087708399977967
Energy: 0.6618210463444599
Energy: 0.5887074336317147
Energy: 0.5919934729886728
Energy: 0.6431561078589091
Energy: 0.6276150564605235
Energy: 0.6293601999835785
Energy: 0.6560488008629022
Energy: 0.6346629870112478
Energy: 0.6280757582453379
Energy: 0.7584207593053022
Energy: 0.5852980930310013
Energy: 0.5817604543064605
Energy: 0.5698118615761792
Energy: 0.7017019581527432
Energy: 0.5579739140309573
Energy: 0.6079406311351995
Energy: 0.5744419003278821
Energy: 0.5668104817348174
Energy: 0.5909656785368989
Energy: 0.5718622870013532
Energy: 0.5662773377346502
Energy: 0.6779618919198505
Energy: 0.5983733206510897
Energy: 0.6134688618425851
Energy: 0.6782610554076666
Energy: 0.5659715321409807
Energy: 0.6012866860909696
Energy: 0.541311891193596
Energy: 0.6063390582359497
Energy: 0.5477877837120505
Energy: 0.5319546106214547
Energy: 0.5889083462449138
Energy: 0.57783861490396
Energy: 0.5354782211475083
Energy: 0.617099924060446
Energy: 0.6162399392643068
Energy: 0.5365426075778573
Energy: 0.605041461277982
Energy: 0.5782083088858945
Energy: 0.6876061209156835
Energy: 0.6065183872815787
Energy: 0.6042070961025462
Energy: 0.6433376708615787
Energy: 0.6171954745503349
Energy: 0.6030405141262369
Energy: 0.6691112058839853
Energy: 0.5363317200845032
Energy: 0.5320890342077718
Energy: 0.5758380821089583
Energy: 0.5338799834204249
Energy: 0.5318370969755145
Energy: 0.7329006479558879
Energy: 0.533492931204198
Energy: 0.625646917886482
Energy: 0.6130816078880115
Energy: 0.5319210265695804
Energy: 0.6188265252700834
Energy: 0.5724302881882833
Energy: 0.6378395540253151
Energy: 0.6352041226434096
Energy: 0.5733720060739689
Energy: 0.609385974870352
Energy: 0.6354675653160929
Energy: 0.577051660040085
Energy: 0.5475208504663097
Energy: 0.5806344418338912
Energy: 0.5692502015715406
Energy: 0.6169893696988586
Energy: 0.5692307181163039
Energy: 0.699107279901871
Energy: 0.580088787658545
Energy: 0.5836725586375849
Energy: 0.6987337809477107
Energy: 0.6353202978921689
Energy: 0.5808625217514285
Energy: 0.5757237734436469
Energy: 0.6563861917035126
Energy: 0.6498685783648459
Energy: 0.5816937217069246
Energy: 0.6530330939387181
Energy: 0.6491937036931205
Energy: 0.8191223046883336
Energy: 0.7483970041627348
Energy: 0.5826012421691931
Energy: 0.6167119503941466
Energy: 0.7443923587830382
Energy: 0.6394546289295806
Energy: 0.7152733931694297
Energy: 0.6573598519167579
Energy: 0.6482934562405838
Energy: 0.7162727076060559
Energy: 0.6530868941294857
Energy: 0.6660172166504417
Energy: 0.7314283577877304
Energy: 0.5771082739455895
Energy: 0.6682210110015738
Energy: 0.7317674332706446
Energy: 0.5782798780513121
Energy: 0.6785607391543852
Energy: 0.7418016690741711
Energy: 0.6384932271239906
Energy: 0.6834842691934186
Energy: 0.7430760103661136
Energy: 0.6360991722003261
Energy: 0.6488284661435605
Energy: 0.6565318094774146
Energy: 0.6538725789341029
Energy: 0.6508633254942102
Energy: 0.6571255151497961
Energy: 0.6835963214283653
Energy: 0.7086396568189011

minimum gb energy = 0.5311954810874915 eV
minimum distance =  2.36397843054916 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.7765411038143026
Energy: 0.9122005588929922
Energy: 0.6101982852997498
Energy: 0.778414622881948
Energy: 0.907852622253091
Energy: 0.6128809517820653
Energy: 0.6853447216721053
Energy: 0.6160073129666115
Energy: 0.6242904646505298
Energy: 0.6324578727359152
Energy: 0.6182298768841068
Energy: 0.6231035091160787
Energy: 0.7080567738348981
Energy: 0.5318451054527802
Energy: 0.5882730150137679
Energy: 0.7090710721552045
Energy: 0.5315465338489846
Energy: 0.6021139280795448
Energy: 0.6195142708834253
Energy: 0.5392104412188222
Energy: 0.5803843763327963
Energy: 0.6196523914378564
Energy: 0.5952964869469515
Energy: 0.5813520961908626
Energy: 0.5925947694381979
Energy: 0.5663104113435071
Energy: 0.587134651768563
Energy: 0.5936904612473775
Energy: 0.6075007082651714
Energy: 0.5620245078649938
Energy: 0.7123844388808114
Energy: 0.5574633142162428
Energy: 0.5390963340137436
Energy: 0.6555719846971023
Energy: 0.5574873218246207
Energy: 0.5388477247424046
Energy: 0.6586067533643616
Energy: 0.5602066391332825
Energy: 0.5641304946951697
Energy: 0.6340749648841961
Energy: 0.5592544583798886
Energy: 0.5853725131994155
Energy: 0.6398430486729976
Energy: 0.569469989672832
Energy: 0.5415075432043289
Energy: 0.6399339576747132
Energy: 0.5587395466727348
Energy: 0.5540969875785766
Energy: 0.5157424167586444
Energy: 0.5652576997655717
Energy: 0.5130044560773568
Energy: 0.5170537904668122
Energy: 0.5251056622894438
Energy: 0.5261147436879725
Energy: 0.5254185056865356
Energy: 0.569297347508834
Energy: 0.5840604061350684
Energy: 0.5116062779353312
Energy: 0.5562642889160769
Energy: 0.5823088269877604
Energy: 0.6711161680464433
Energy: 0.49348852265936677
Energy: 0.5796515146942005
Energy: 0.6321076262881271
Energy: 0.5063377622668006
Energy: 0.5765844194429777
Energy: 0.49828429170665767
Energy: 0.5003261694150695
Energy: 0.504889285120185
Energy: 0.5218500613129584
Energy: 0.4991614922820076
Energy: 0.5378894396297592
Energy: 0.6503803388804942
Energy: 0.5663750721659472
Energy: 0.5663238373823544
Energy: 0.6517363868548284
Energy: 0.6170901675127924
Energy: 0.5804140956907647
Energy: 0.4938834648995334
Energy: 0.5716821851113398
Energy: 0.4928655212229201
Energy: 0.49526085849633106
Energy: 0.4937379267207168
Energy: 0.5050848156914625
Energy: 0.49265655498904704
Energy: 0.5812841081917479
Energy: 0.5851725500223615
Energy: 0.4928636647415007
Energy: 0.5377226727634359
Energy: 0.5794084604222045
Energy: 0.6445593776378056
Energy: 0.52447742745118
Energy: 0.5791436415641699
Energy: 0.5698004124717067
Energy: 0.5212798083341611
Energy: 0.5782511502958015
Energy: 0.513915244107593
Energy: 0.5229241454018776
Energy: 0.5139767397212464
Energy: 0.565686366272291
Energy: 0.5193360022528567
Energy: 0.5482899952462877
Energy: 0.5541389504461093
Energy: 0.5566745587570442
Energy: 0.557595077958238
Energy: 0.5547318795854894
Energy: 0.6409386043106353
Energy: 0.5627276377466817
Energy: 0.5579699443362408
Energy: 0.5744451390620444
Energy: 0.5530592100697548
Energy: 0.5596222905471874
Energy: 0.6343812940119915
Energy: 0.5665734306746422
Energy: 0.6733429052614384
Energy: 0.5680118702933339
Energy: 0.563309803584647
Energy: 0.6742153423816297
Energy: 0.5760658136859409
Energy: 0.6199493461155441
Energy: 0.6558704101252623
Energy: 0.6220611856335215
Energy: 0.6088915101453845
Energy: 0.6036067451281063
Energy: 0.628940901705773
Energy: 0.6084460099814497
Energy: 0.560370323601938
Energy: 0.6545826323091458
Energy: 0.5892167337287303
Energy: 0.5891188051427056
Energy: 0.6512310713811147
Energy: 0.587279199683225
Energy: 0.616692462846243
Energy: 0.6602573358111974
Energy: 0.6529823441496927
Energy: 0.614450348912999
Energy: 0.7071807584309854
Energy: 0.6342408266789598
Energy: 0.6656715801834602
Energy: 0.5739019533135882
Energy: 0.62815365899195
Energy: 0.6665746306113114
Energy: 0.6385542412275073
Energy: 0.6283508872389508
Energy: 0.7099358204099934
Energy: 0.6085205456324327
Energy: 0.5686970769370726
Energy: 0.7108233167878245
Energy: 0.6082483458566509
Energy: 0.6434349856801598
Energy: 0.6879881901325777
Energy: 0.629366339817071
Energy: 0.6299053868401382
Energy: 0.6867767119548223
Energy: 0.6342308400435894
Energy: 0.6249672085867553
Energy: 0.7814698445067847
Energy: 0.660250262299904
Energy: 0.5915218500468089
Energy: 0.595765468099148
Energy: 0.7127202194136522
Energy: 0.5883888211581515

minimum gb energy = 0.49265655498904704 eV
minimum distance =  2.36179197180766 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.6960897904643326
Energy: 0.6290065590534455
Energy: 0.5575980516906512
Energy: 0.524384366226579
Energy: 0.6291752488377292
Energy: 0.5108216701595901
Energy: 0.5527432762819009
Energy: 0.5272268944201921
Energy: 0.5351372909685439
Energy: 0.5545807650248579
Energy: 0.5431038364551813
Energy: 0.5385317235837769
Energy: 0.6045521064494256
Energy: 0.4936223964885616
Energy: 0.5066125221085098
Energy: 0.6057439363654072
Energy: 0.49340451239234595
Energy: 0.49562932201507326
Energy: 0.5485197400454421
Energy: 0.505730428618459
Energy: 0.49257707187488853
Energy: 0.5289437854846308
Energy: 0.4786164310626417
Energy: 0.5207346358951926
Energy: 0.5427645039088822
Energy: 0.4948641903567443
Energy: 0.49032054686132787
Energy: 0.5427195192296324
Energy: 0.567252718383934
Energy: 0.5104167127687518
Energy: 0.6513517787368607
Energy: 0.4999812824762518
Energy: 0.4684711329931073
Energy: 0.5833988195452988
Energy: 0.5008547128156228
Energy: 0.47654262155191446
Energy: 0.5543715671425112
Energy: 0.49796210140488395
Energy: 0.49771132739496315
Energy: 0.49441613285110103
Energy: 0.5034977446793821
Energy: 0.5260381756366566
Energy: 0.5622654539474575
Energy: 0.47966939588439456
Energy: 0.4680629362047444
Energy: 0.5629571706587759
Energy: 0.4921592115739624
Energy: 0.4722966884376951
Energy: 0.46340939940830755
Energy: 0.47318804954877464
Energy: 0.4609442580239172
Energy: 0.4647635665122487
Energy: 0.4769363404642921
Energy: 0.4614993294622742
Energy: 0.4466048794337782
Energy: 0.46646162484218845
Energy: 0.46411207389044534
Energy: 0.4606746105862093
Energy: 0.4666238929404388
Energy: 0.48239928424656736
Energy: 0.6184583845559657
Energy: 0.43750772772966184
Energy: 0.4572304709660122
Energy: 0.5616447329964361
Energy: 0.4374968077978766
Energy: 0.4911734833061249
Energy: 0.5457157768577572
Energy: 0.43750718674923994
Energy: 0.4372946886208747
Energy: 0.4889247843321367
Energy: 0.4378207475645229
Energy: 0.49079549117326066
Energy: 0.5547369359530423
Energy: 0.48599610877435573
Energy: 0.4862256715987674
Energy: 0.5563769236200856
Energy: 0.4833998318194095
Energy: 0.48727010892686035
Energy: 0.4228778149910807
Energy: 0.5189157766447342
Energy: 0.42288743497125986
Energy: 0.4243013348305301
Energy: 0.5446792761245395
Energy: 0.42285885913965265
Energy: 0.42348279549483586
Energy: 0.45839316908623495
Energy: 0.45860696743428536
Energy: 0.42325605217392165
Energy: 0.4622192206134351
Energy: 0.4575435061226616
Energy: 0.4248892471393196
Energy: 0.4164151771649385
Energy: 0.41656662049332255
Energy: 0.48012124065163675
Energy: 0.4162520452469617
Energy: 0.46946830362515374
Energy: 0.5410708083454618
Energy: 0.41652772502174856
Energy: 0.41640324310409566
Energy: 0.4771880167543562
Energy: 0.41664253735021844
Energy: 0.48257561668086635
Energy: 0.5424271485331751
Energy: 0.4648634447834905
Energy: 0.4752389900767663
Energy: 0.5417896542517816
Energy: 0.464788180591117
Energy: 0.4788933048789656
Energy: 0.41660165280244876
Energy: 0.5332635645629643
Energy: 0.41627627124969413
Energy: 0.4179643789284577
Energy: 0.53235592796824
Energy: 0.4163214632476073
Energy: 0.540315191159864
Energy: 0.47448127725709327
Energy: 0.4692272509426763
Energy: 0.5431939651179678
Energy: 0.47430645721827996
Energy: 0.4814012997423371
Energy: 0.5577453879620985
Energy: 0.42301243827527335
Energy: 0.4233462676151381
Energy: 0.4806743062592261
Energy: 0.42303134921639846
Energy: 0.48329590539590017
Energy: 0.4384777801304298
Energy: 0.42311074564504964
Energy: 0.42318742719439273
Energy: 0.4679191532458051
Energy: 0.42273776027252624
Energy: 0.47498885763515614
Energy: 0.4372163059855379
Energy: 0.4652555117838449
Energy: 0.45993091517799767
Energy: 0.437042368322574
Energy: 0.46718059204086565
Energy: 0.45694912864835385
Energy: 0.43732917981940533
Energy: 0.562344870664153
Energy: 0.43709199410276156
Energy: 0.43877719186709757
Energy: 0.46154858295018697
Energy: 0.4373679634459966
Energy: 0.5547012654934065
Energy: 0.49341212212009056
Energy: 0.4808196941133005
Energy: 0.5561835549711235
Energy: 0.4884679103201132
Energy: 0.4795753807797869
Energy: 0.5526538939802723
Energy: 0.4611013658855192
Energy: 0.46125985411957227
Energy: 0.49881026579335114
Energy: 0.46698048510847945
Energy: 0.505756704497175
Energy: 0.6356516661946918
Energy: 0.4616652257566486
Energy: 0.4616751970969172
Energy: 0.5775870646852878
Energy: 0.4615370246550713
Energy: 0.4807576090181358
Energy: 0.48454872940376426
Energy: 0.4714078081362693
Energy: 0.46665511889481137
Energy: 0.49862614221043
Energy: 0.5299787735566863
Energy: 0.4817600454851382
Energy: 0.5026949170295665
Energy: 0.48854843711695195
Energy: 0.49847741012356844
Energy: 0.5041800794765943
Energy: 0.5227465013401464
Energy: 0.49807546597908947
Energy: 0.5773985638005613
Energy: 0.49217503009444863
Energy: 0.4550641496453212
Energy: 0.5766280897102171
Energy: 0.4926931087143974
Energy: 0.45537864606930845
Energy: 0.5634786974431163
Energy: 0.5285701032697057
Energy: 0.528462158197918
Energy: 0.5045760636070334
Energy: 0.5496875580538104
Energy: 0.5309969592142998
Energy: 0.6743189598739512
Energy: 0.5555266300130035
Energy: 0.5200104807373348
Energy: 0.6049124800672049
Energy: 0.5557810574416784
Energy: 0.5154101497295448
Energy: 0.5449084036273808
Energy: 0.5566192897178377
Energy: 0.5558310497640474
Energy: 0.5292669943277534
Energy: 0.5791828863393248
Energy: 0.5559707105295625
Energy: 0.5734639842608109
Energy: 0.5153020272099718
Energy: 0.5128902443291072
Energy: 0.5549784012633671
Energy: 0.5064821532078612
Energy: 0.5565204237908766
Energy: 0.6131963640655819
Energy: 0.505337877179875
Energy: 0.5211073721174877
Energy: 0.6143656602317127
Energy: 0.48396905219428266
Energy: 0.5224752393519567
Energy: 0.5524465213988499
Energy: 0.5651402504524824
Energy: 0.5665563056679265
Energy: 0.5805037207369839
Energy: 0.5587976785133859
Energy: 0.5648852843430473

minimum gb energy = 0.4162520452469617 eV
minimum distance =  2.35513150404158 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.036831577269669694
Energy: 0.4587979378626775
Energy: 0.037366494801790044
Energy: 0.03916499764842706
Energy: 0.06708347895609107
Energy: 0.03747713951057586
Energy: 0.7430483840738294
Energy: 0.038570639248663156
Energy: 0.03798699692127947
Energy: 0.06855147684506811
Energy: 0.04022958830780254
Energy: 0.038387675505274596
Energy: 0.20607104694751666
Energy: 0.03738828411613835
Energy: 0.037594105535062844
Energy: 0.06782213182666906
Energy: 0.03733393944416141
Energy: 0.0674304207778539
Energy: 0.03980286561768063
Energy: 0.037515301149586525
Energy: 0.037479316523062516
Energy: 0.040842671310118726
Energy: 0.037355329116819644
Energy: 0.0680648335549935
Energy: 0.06748616119839773
Energy: 0.06709375887274174
Energy: 0.06724876292886693
Energy: 0.06846420173007692
Energy: 0.06691236145312648
Energy: 0.06850677152266063
Energy: 0.03789191527118792
Energy: 0.037732225094116015
Energy: 0.0377103546034497
Energy: 0.03936652958490834
Energy: 0.03817729013141002
Energy: 0.03742147873670945
Energy: 0.06660236339625059
Energy: 0.03796400157361855
Energy: 0.03792761034359784
Energy: 0.0669310179240787
Energy: 0.03848942934185196
Energy: 0.03758578839992639
Energy: 0.06674074284284916
Energy: 0.0373321101379307
Energy: 0.037566697895188544
Energy: 0.06714408568482272
Energy: 0.03736305545464901
Energy: 0.06963915006665478
Energy: 0.0388148577172464
Energy: 0.03791804049224163
Energy: 0.06923350605950494
Energy: 0.039253823284169154
Energy: 0.03758473613505393
Energy: 0.06908388113827353
Energy: 0.037761101319601593
Energy: 0.06680479580988861
Energy: 0.06712117944973912
Energy: 0.03756800789292058
Energy: 0.20299339098625238
Energy: 0.06741207064968568

minimum gb energy = 0.036831577269669694 eV
minimum distance =  2.53501493852333 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.7179179557720116
Energy: 0.6006586290998118
Energy: 0.5793417239070537
Energy: 0.5560140888550008
Energy: 0.6008347131529206
Energy: 0.5601552171330237
Energy: 0.5671294599179967
Energy: 0.5564579708478486
Energy: 0.5575215051644362
Energy: 0.5673259891011521
Energy: 0.5704997002172668
Energy: 0.5589153984943798
Energy: 0.5723488480291885
Energy: 0.5384717250579574
Energy: 0.5368831180529193
Energy: 0.5727752332820226
Energy: 0.5356587003106946
Energy: 0.558682439753103
Energy: 0.5349744960897015
Energy: 0.5358372361487612
Energy: 0.5244958945635676
Energy: 0.5338335255084052
Energy: 0.4661107043009132
Energy: 0.5578351147486287
Energy: 0.5059145291306765
Energy: 0.5727149683603564
Energy: 0.562006981267683
Energy: 0.5059845955537727
Energy: 0.57392431501778
Energy: 0.5610312325673842
Energy: 0.6833830803543247
Energy: 0.5594537259748574
Energy: 0.5427172310683627
Energy: 0.5089374785586918
Energy: 0.5587182901208022
Energy: 0.5084225541851394
Energy: 0.524906365781037
Energy: 0.48243071807264065
Energy: 0.5213869983209989
Energy: 0.5242955408428986
Energy: 0.48190544070631125
Energy: 0.5162164632249977
Energy: 0.5569418494961599
Energy: 0.5224511402775756
Energy: 0.5222270573268457
Energy: 0.5572490320069479
Energy: 0.5036382986853262
Energy: 0.4834694411607728
Energy: 0.5414191482041923
Energy: 0.5217892516430166
Energy: 0.5403625070477723
Energy: 0.5406739222270448
Energy: 0.4418240644289717
Energy: 0.539393654092636
Energy: 0.4815210045992675
Energy: 0.48204241614122156
Energy: 0.4814728962778001
Energy: 0.4816405462602943
Energy: 0.4853681445052566
Energy: 0.4989743204040824
Energy: 0.4289676408175223
Energy: 0.5261358474686836
Energy: 0.5261821450830174
Energy: 0.507585037733681
Energy: 0.5182146976981319
Energy: 0.5059752009592947
Energy: 0.44720108307176704
Energy: 0.5211409510888693
Energy: 0.5307393138509294
Energy: 0.44712265851438016
Energy: 0.5121045442479378
Energy: 0.44426927583541437
Energy: 0.45914178353776197
Energy: 0.4952172686894472
Energy: 0.5089685893308397
Energy: 0.45901388982872504
Energy: 0.4951400647066176
Energy: 0.44712933674477673
Energy: 0.521202205334056
Energy: 0.4634880782153994
Energy: 0.5092472489638555
Energy: 0.5219739048960592
Energy: 0.46300525530221387
Energy: 0.5104318277324847
Energy: 0.5099095249563697
Energy: 0.4284998619057584
Energy: 0.42790345660227014
Energy: 0.5028901481738179
Energy: 0.4338116591630056
Energy: 0.4278512696137009
Energy: 0.46069253679574507
Energy: 0.5001046447300533
Energy: 0.5002635044452904
Energy: 0.4974896248033373
Energy: 0.5041793794082002
Energy: 0.49866315087490687
Energy: 0.42563353313249924
Energy: 0.5028711987773165
Energy: 0.5027637001550082
Energy: 0.42654033308398165
Energy: 0.4961193219984756
Energy: 0.41709623706079013
Energy: 0.4161382390339152
Energy: 0.4946991723629275
Energy: 0.501296673685646
Energy: 0.41619019124165635
Energy: 0.4934264825999141
Energy: 0.5028094257927026
Energy: 0.552333593433355
Energy: 0.49360851954280294
Energy: 0.4930521516603472
Energy: 0.5238516021721429
Energy: 0.495470372791536
Energy: 0.49286264570283533
Energy: 0.497569901356929
Energy: 0.41658951218929235
Energy: 0.4162606097332949
Energy: 0.49882745775007525
Energy: 0.42259498128894585
Energy: 0.4163015399769822
Energy: 0.5036496163199327
Energy: 0.4968791500938829
Energy: 0.4999294085825156
Energy: 0.5049118761451924
Energy: 0.50793687463791
Energy: 0.49837937343712524
Energy: 0.43569999189279607
Energy: 0.4973871270038392
Energy: 0.5018525126179444
Energy: 0.4368927952648565
Energy: 0.4984339220733917
Energy: 0.43487874796209114
Energy: 0.42510032176846324
Energy: 0.5104419145259447
Energy: 0.5117819972508978
Energy: 0.4252630083436529
Energy: 0.52148025597151
Energy: 0.5114150281449134
Energy: 0.6035281178361355
Energy: 0.45912576739012306
Energy: 0.44630532221149827
Energy: 0.6052722093045034
Energy: 0.4589410822802465
Energy: 0.5010917151018739
Energy: 0.4774487639441732
Energy: 0.44721887867812465
Energy: 0.4477979542972998
Energy: 0.47741530915308855
Energy: 0.4471670310621549
Energy: 0.44460782116219105
Energy: 0.5308005335196594
Energy: 0.5135930021913788
Energy: 0.5134618774213923
Energy: 0.5189224858318066
Energy: 0.5119366150941077
Energy: 0.5256551688763706
Energy: 0.49707782063794664
Energy: 0.5130052162215106
Energy: 0.5131292952098712
Energy: 0.4985102269365308
Energy: 0.4431972739491149
Energy: 0.4814506462766162
Energy: 0.45655529178827226
Energy: 0.5323541498200074
Energy: 0.538930687021359
Energy: 0.4554487662631599
Energy: 0.5343854457043987
Energy: 0.5390419501847891
Energy: 0.6502760705222829
Energy: 0.5554552695111409
Energy: 0.5033880018032271
Energy: 0.5104360506059618
Energy: 0.5555777053351637
Energy: 0.48173733012293624
Energy: 0.47608103352576026
Energy: 0.5231964618815164
Energy: 0.5223802849613111
Energy: 0.4760025649722873
Energy: 0.5248476833472127
Energy: 0.5161704135479219
Energy: 0.5568121462792965
Energy: 0.5294309527559744
Energy: 0.5291975503216481
Energy: 0.558783643131334
Energy: 0.5068180250766455
Energy: 0.5099778140971275
Energy: 0.5800273466438776
Energy: 0.5292602094781165
Energy: 0.5430813363899919
Energy: 0.5793562571875486
Energy: 0.45203381810197224
Energy: 0.5238349756944305
Energy: 0.48303835715953547
Energy: 0.5185018424616578
Energy: 0.5172852171006582
Energy: 0.48306346440198156
Energy: 0.5179565984929729
Energy: 0.5210009639191999

minimum gb energy = 0.4161382390339152 eV
minimum distance =  2.34952991452796 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.7379527299809753
Energy: 0.7727643400517886
Energy: 0.6729670443940651
Energy: 0.7366052675086715
Energy: 0.7719555084090481
Energy: 0.6539693246978826
Energy: 0.6700867841793945
Energy: 0.6477197825230308
Energy: 0.648038292890998
Energy: 0.6732661287072002
Energy: 0.6712778836813509
Energy: 0.6414972572268159
Energy: 0.686967275487091
Energy: 0.6229068646342858
Energy: 0.6524619382935054
Energy: 0.687832425293157
Energy: 0.6369872585580616
Energy: 0.6507371766866434
Energy: 0.6081626668132546
Energy: 0.6454124168907732
Energy: 0.6517266652278063
Energy: 0.6079816785037255
Energy: 0.598550941142797
Energy: 0.650390751458126
Energy: 0.5916150375552804
Energy: 0.6582173867003143
Energy: 0.6581228214824331
Energy: 0.5909860310075334
Energy: 0.6699738936515849
Energy: 0.6490073371475925
Energy: 0.7005001336395079
Energy: 0.6427418495998319
Energy: 0.6258004180522584
Energy: 0.6264337784937083
Energy: 0.6522591364472973
Energy: 0.6215778828647099
Energy: 0.6054622613796594
Energy: 0.5946106414946688
Energy: 0.5991164155879732
Energy: 0.6052389186687716
Energy: 0.5947470348801369
Energy: 0.5912073089926996
Energy: 0.6208261383396078
Energy: 0.6119071914430212
Energy: 0.6209800845033753
Energy: 0.6206389588033446
Energy: 0.6200414443224062
Energy: 0.5954720268456561
Energy: 0.6141888793084526
Energy: 0.6227375695378065
Energy: 0.6221159198106515
Energy: 0.6125321730633204
Energy: 0.5430624780043497
Energy: 0.6276125067209382
Energy: 0.5144447784180504
Energy: 0.5430340586859302
Energy: 0.5485175930606472
Energy: 0.5142159505497643
Energy: 0.5509052036826061
Energy: 0.548150708155688
Energy: 0.7031164048491
Energy: 0.6217987964561353
Energy: 0.6205580834652671
Energy: 0.6131405252135899
Energy: 0.6084256766657362
Energy: 0.6218525306858693
Energy: 0.5200491116143819
Energy: 0.6052631953471083
Energy: 0.6183901683670814
Energy: 0.5208794015306124
Energy: 0.610418380511182
Energy: 0.5144672404227147
Energy: 0.5210381267131843
Energy: 0.6152793019227625
Energy: 0.6111587915843912
Energy: 0.5209873672376781
Energy: 0.6412871458592032
Energy: 0.5600247230046526
Energy: 0.6412388033791638
Energy: 0.6104802341296014
Energy: 0.6078673218539996
Energy: 0.6191422979811004
Energy: 0.5622450522509967
Energy: 0.606569656803405
Energy: 0.6032713422057406
Energy: 0.5161822396947858
Energy: 0.5198408828847949
Energy: 0.6042817833984072
Energy: 0.5119590879147771
Energy: 0.5103345748761531
Energy: 0.613324627877266
Energy: 0.6198776811158523
Energy: 0.6183539579370348
Energy: 0.6120821618005093
Energy: 0.5174754674119233
Energy: 0.6162514441400521
Energy: 0.5526409935870155
Energy: 0.6104592201145486
Energy: 0.6099562149763675
Energy: 0.5536274347593906
Energy: 0.6141783302112657
Energy: 0.5451786006771996
Energy: 0.5405595043196753
Energy: 0.623005023288312
Energy: 0.6255269555065436
Energy: 0.5407164112573154
Energy: 0.6115252709481072
Energy: 0.6006869652034862
Energy: 0.6596625218476116
Energy: 0.6193501241642911
Energy: 0.5940907838392913
Energy: 0.6197034098898423
Energy: 0.6436667374162067
Energy: 0.5926104684638517
Energy: 0.5442248507317918
Energy: 0.5959267130607786
Energy: 0.598696727096617
Energy: 0.5441973836744873
Energy: 0.5966420320373591
Energy: 0.5896646388819737
Energy: 0.6455975881323538
Energy: 0.617311277576689
Energy: 0.6176644853449917
Energy: 0.5925089110725423
Energy: 0.639668524651104
Energy: 0.617316337019776
Energy: 0.68653138910252
Energy: 0.6185084939947739
Energy: 0.6175007335566063
Energy: 0.6873801507994209
Energy: 0.6414412972568875
Energy: 0.6178470547223265
Energy: 0.6318071766180416
Energy: 0.596336078046953
Energy: 0.5940206674396479
Energy: 0.6266340079905565
Energy: 0.5971474334546495
Energy: 0.5925306734385405

minimum gb energy = 0.5103345748761531 eV
minimum distance =  2.35738115693434 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.8636344531104879
Energy: 0.751706547224259
Energy: 0.7700387046361354
Energy: 0.8614758264216531
Energy: 0.7493685898718203
Energy: 0.7073800781665744
Energy: 0.713595037618284
Energy: 0.6982411131328508
Energy: 0.695818331129341
Energy: 0.7136055813235527
Energy: 0.7147377681284203
Energy: 0.6903664909597835
Energy: 0.727185228858888
Energy: 0.6866751900610772
Energy: 0.68762954374913
Energy: 0.7278082166863592
Energy: 0.682509655062692
Energy: 0.6949321436942599
Energy: 0.7124902359709332
Energy: 0.6876393454850004
Energy: 0.6877803286409324
Energy: 0.713839795718609
Energy: 0.6342064614676598
Energy: 0.68784915098362
Energy: 0.6293128324837299
Energy: 0.697553203515989
Energy: 0.6947598326817161
Energy: 0.6292047256464013
Energy: 0.7118073618327135
Energy: 0.6899588167023926
Energy: 0.7933687561223335
Energy: 0.7165341192972065
Energy: 0.6900911323208975
Energy: 0.7929535622761361
Energy: 0.7166364728873761
Energy: 0.6715361816944746
Energy: 0.6257244570578432
Energy: 0.631484715044191
Energy: 0.6936268223645182
Energy: 0.6274697613239025
Energy: 0.6281527518342954
Energy: 0.6284723619836386
Energy: 0.6435877522056744
Energy: 0.6669225183444204
Energy: 0.6228335549732029
Energy: 0.6440862022314657
Energy: 0.6668879986825097
Energy: 0.631728405859929
Energy: 0.6634569885401221
Energy: 0.6664593769251625
Energy: 0.6684415925173093
Energy: 0.6617984274554588
Energy: 0.5763784614797346
Energy: 0.6686425365947204
Energy: 0.6665141033234032
Energy: 0.5796111915029375
Energy: 0.5694909498918361
Energy: 0.6682376297557268
Energy: 0.5764116668120726
Energy: 0.5701272859154376
Energy: 0.6931684899825835
Energy: 0.631520489732817
Energy: 0.6741505120186171
Energy: 0.6750820785031318
Energy: 0.6095913308346994
Energy: 0.6738459845096434
Energy: 0.5812978479527364
Energy: 0.672423129309702
Energy: 0.6764757722949833
Energy: 0.5822951280554272
Energy: 0.6621597942986308
Energy: 0.5793846178825712
Energy: 0.5804498421426519
Energy: 0.6664633255896878
Energy: 0.6831274533700975
Energy: 0.5771930038498095
Energy: 0.665096423038764
Energy: 0.6346751111988987
Energy: 0.7226617207105352
Energy: 0.6973440432129375
Energy: 0.668718728296564
Energy: 0.7240837036926067
Energy: 0.6783000199252347
Energy: 0.6776433322315333
Energy: 0.615385484714036
Energy: 0.6228568702550433
Energy: 0.6225867556692626
Energy: 0.6149712423597593
Energy: 0.643410380788442
Energy: 0.6254932125875402
Energy: 0.6937713411633639
Energy: 0.6566946845983119
Energy: 0.6521641881705488
Energy: 0.690390395938814
Energy: 0.5899655279682589
Energy: 0.6866189224086464
Energy: 0.7288294279978873
Energy: 0.6543707448299872
Energy: 0.6585803043799573
Energy: 0.7278416362884612
Energy: 0.655400361473565
Energy: 0.6592433158766104
Energy: 0.7128654149174405
Energy: 0.6271183552486955
Energy: 0.7002785754096299
Energy: 0.713559835228226
Energy: 0.636226488861983
Energy: 0.6762861768842214
Energy: 0.8647370855918254
Energy: 0.712337936003257
Energy: 0.7399292769887502
Energy: 0.862379116479036
Energy: 0.7121051641708653
Energy: 0.6628166848935501
Energy: 0.6642288068253017
Energy: 0.6982870945627216
Energy: 0.6961387073617862
Energy: 0.6640810196512693
Energy: 0.7132366520566026
Energy: 0.6961372399131471
Energy: 0.7258205747269717
Energy: 0.688647487854514
Energy: 0.6872796018154478
Energy: 0.7268079917172916
Energy: 0.697008262537967
Energy: 0.6977877032586666
Energy: 0.7137231873481347
Energy: 0.6871213427801097
Energy: 0.6871632644914779
Energy: 0.7147696966646764
Energy: 0.6878087414710832
Energy: 0.6881551229632288
Energy: 0.629831307815303
Energy: 0.6995361864843612
Energy: 0.6955235795389191
Energy: 0.6294236795497375
Energy: 0.7149941856516231
Energy: 0.6860611669382853
Energy: 0.7929858713089407
Energy: 0.6995262931143328
Energy: 0.7191095309073935
Energy: 0.7924861040602968
Energy: 0.6994689108514255
Energy: 0.6855947577038976
Energy: 0.6291036272056385
Energy: 0.6861040793076526
Energy: 0.6943699975883798
Energy: 0.6291454073485269
Energy: 0.6855091770728896
Energy: 0.6268888170443043
Energy: 0.6437303517658317
Energy: 0.6672319490477361
Energy: 0.6220450548450756
Energy: 0.6438062124906158
Energy: 0.6677899904227361
Energy: 0.6308549095815967
Energy: 0.6628299846230549
Energy: 0.6689716418079091
Energy: 0.6696217083843595
Energy: 0.6644055573758356
Energy: 0.5761290469823693
Energy: 0.6684198457923873
Energy: 0.6635466765912381
Energy: 0.5750575844992805
Energy: 0.569586664726437
Energy: 0.6642533402427823
Energy: 0.5777971664817309
Energy: 0.5697909302457245
Energy: 0.6924558583730609
Energy: 0.579240183900776
Energy: 0.6770685100342166
Energy: 0.6923633941584117
Energy: 0.5786923383814259
Energy: 0.6770897283601277
Energy: 0.5789177465652443
Energy: 0.6336189552289212
Energy: 0.6788609487683384
Energy: 0.5789212887354686
Energy: 0.6589886252955331
Energy: 0.6757256162891362
Energy: 0.5780618347286434
Energy: 0.6715147209839021
Energy: 0.6336809979535357
Energy: 0.5789797252826541
Energy: 0.616881734808983
Energy: 0.5766417960111622
Energy: 0.7233817845909647
Energy: 0.6686629843141368
Energy: 0.6674949418291284
Energy: 0.6738201926060762
Energy: 0.6791826157117601
Energy: 0.6736407576678747
Energy: 0.6149911104007081
Energy: 0.649771355247511
Energy: 0.6309404523600988
Energy: 0.6148009164152907
Energy: 0.646046422118513
Energy: 0.6302390086599822
Energy: 0.6865898942625683
Energy: 0.6563043184428292
Energy: 0.6859576625071705
Energy: 0.6881548436875355
Energy: 0.5894189266587555
Energy: 0.6859754024361403
Energy: 0.7260241794587948
Energy: 0.6536270469138772
Energy: 0.6621286091390788
Energy: 0.7257211332665966
Energy: 0.7235766034579814
Energy: 0.6618662499659387
Energy: 0.7126512643718431
Energy: 0.6266206317332137
Energy: 0.7002728476628147
Energy: 0.7115393256857763
Energy: 0.6268265255886292
Energy: 0.7003146629878234
Energy: 0.8650871019128233
Energy: 0.7128039613577885
Energy: 0.740162305686312
Energy: 0.77894015520843
Energy: 0.7120322983588782
Energy: 0.6631395923238732

minimum gb energy = 0.5694909498918361 eV
minimum distance =  2.34717116360263 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.8342401375415517
Energy: 0.9699323415971333
Energy: 0.8065267004531035
Energy: 0.8344901288936902
Energy: 0.9701926433586815
Energy: 0.8062812169798653
Energy: 0.6773875821025055
Energy: 0.7501876555182544
Energy: 0.7269342822222599
Energy: 0.779732243374444
Energy: 0.7659680550439865
Energy: 0.7242755846481623
Energy: 0.7679924422280404
Energy: 0.720621686384373
Energy: 0.7393043980085289
Energy: 0.7680647181309952
Energy: 0.7788452782129675
Energy: 0.7384464748439332
Energy: 0.7399788099144942
Energy: 0.7526207006151392
Energy: 0.7521016871697235
Energy: 0.7407591419446045
Energy: 0.656113826926572
Energy: 0.740184096854002
Energy: 0.6569308262730876
Energy: 0.7273085176110403
Energy: 0.731058653347887
Energy: 0.657298378928032
Energy: 0.7479383598288215
Energy: 0.7261271361957973
Energy: 0.7340386825708034
Energy: 0.7549593836691713
Energy: 0.756171166570932
Energy: 0.734125393172575
Energy: 0.7534044866395427
Energy: 0.7715837879247365
Energy: 0.6575213312034357
Energy: 0.7539264353168577
Energy: 0.7568265470698786
Energy: 0.6574265694036261
Energy: 0.7403656916938742
Energy: 0.6579844221467855
Energy: 0.6714737030440435
Energy: 0.7646603440657146
Energy: 0.6751661336374041
Energy: 0.672510847625417
Energy: 0.7377314031539041
Energy: 0.674340634277003
Energy: 0.697544405112917
Energy: 0.761364219135393
Energy: 0.7596504525314601
Energy: 0.6988335162671462
Energy: 0.6824420825051605
Energy: 0.7558136134145743
Energy: 0.6804770942921508
Energy: 0.6775107775591781
Energy: 0.6828727257687045
Energy: 0.6811211267158109
Energy: 0.6737915501785408
Energy: 0.6735821925984076
Energy: 0.7325947495911682
Energy: 0.657194255606062
Energy: 0.7563520252183886
Energy: 0.733630173204485
Energy: 0.6335748217658312
Energy: 0.7556873472309488
Energy: 0.7849889692707548
Energy: 0.7102766854078933
Energy: 0.7236991613433258
Energy: 0.784843958923769
Energy: 0.7576183218397554
Energy: 0.7175649848100962
Energy: 0.7495412121526946
Energy: 0.7479773602318678
Energy: 0.7289795976326922
Energy: 0.7498323564395016
Energy: 0.7444681902193081
Energy: 0.7262556163836668
Energy: 0.7607567630368746
Energy: 0.742031512813693
Energy: 0.764072833284146
Energy: 0.7601892459621845
Energy: 0.7410830176711996
Energy: 0.7621735256007971

minimum gb energy = 0.6335748217658312 eV
minimum distance =  2.36650133190468 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.7840815997503775
Energy: 0.8363780964871468
Energy: 0.7754367425148367
Energy: 0.7849062210625621
Energy: 0.8366648740980784
Energy: 0.8057908871302504
Energy: 0.8347458238570407
Energy: 0.719398160588272
Energy: 0.7191835666288585
Energy: 0.8237292566544139
Energy: 0.7197826705390244
Energy: 0.7455630448290066
Energy: 0.8497274430362327
Energy: 0.7755120081807204
Energy: 0.739055617792537
Energy: 0.8360411640180495
Energy: 0.7778545653578047
Energy: 0.7416988707875029
Energy: 0.740624648403084
Energy: 0.7887259833969998
Energy: 0.7397920741486648
Energy: 0.7411302675479196
Energy: 0.7149921483486551
Energy: 0.7405626772266516
Energy: 0.7521782167777148
Energy: 0.7206602527053344
Energy: 0.7212477393789462
Energy: 0.7530429953191942
Energy: 0.7193807293844455
Energy: 0.7195668576906747
Energy: 0.7368099296905896
Energy: 0.7322022810486183
Energy: 0.7326550410530444
Energy: 0.74895437778348
Energy: 0.7320511577888785
Energy: 0.7603068696142583
Energy: 0.731753473904876
Energy: 0.7601113856248854
Energy: 0.7603420710286282
Energy: 0.7318465682527577
Energy: 0.7912646818986577
Energy: 0.7323807428308131
Energy: 0.7206043127672171
Energy: 0.7514732402839504
Energy: 0.7825149073938359
Energy: 0.7209381981301742
Energy: 0.7535727210728084
Energy: 0.7188234507894512
Energy: 0.7580875821375113
Energy: 0.7485264736066839
Energy: 0.742626607275471
Energy: 0.7135520036418925
Energy: 0.7485550083091026
Energy: 0.7500802508930321
Energy: 0.7147288309537997
Energy: 0.8044102111090812
Energy: 0.7666341604955805
Energy: 0.7144258434727493
Energy: 0.8277794281234837
Energy: 0.7468769506841143
Energy: 0.720957558315605
Energy: 0.745050559957551
Energy: 0.7466653207833391
Energy: 0.7212644092625916
Energy: 0.7444499781607268
Energy: 0.7185266471575679
Energy: 0.722624519436253
Energy: 0.7378319559971176
Energy: 0.7578236635182621
Energy: 0.7234200797011255
Energy: 0.8290618253034502
Energy: 0.7757574022280613
Energy: 0.7188351882535698
Energy: 0.7757176776191791
Energy: 0.7510336864586463
Energy: 0.71887042998274
Energy: 0.8227381433692117
Energy: 0.7773596591903835
Energy: 0.7230413162166427
Energy: 0.8416469053226241
Energy: 0.8040375210544474
Energy: 0.7404069412163559
Energy: 0.8406583103178109
Energy: 0.7660200119719657
Energy: 0.7142461709425937
Energy: 0.7579874073483043
Energy: 0.7589651143260061
Energy: 0.714476764951676
Energy: 0.758534328978861
Energy: 0.7763428847393005
Energy: 0.71384441866807
Energy: 0.7719461957988885
Energy: 0.7832709058395798
Energy: 0.7151248350678612
Energy: 0.7486058563891963
Energy: 0.712840370348595
Energy: 0.7135318531371858
Energy: 0.7816242751982097
Energy: 0.773743786178672
Energy: 0.7130654733771759
Energy: 0.7685668753633563
Energy: 0.7728173777730839
Energy: 0.7476169424403716
Energy: 0.77929242939032
Energy: 0.7792313132573255
Energy: 0.7484323316515664
Energy: 0.7798719750066634
Energy: 0.7410173092269982
Energy: 0.733457698926459
Energy: 0.7239395144249249
Energy: 0.7347219376940316
Energy: 0.7335761247849413
Energy: 0.7439204256073357
Energy: 0.8053044850515062
Energy: 0.7543111316616612
Energy: 0.7859139344910114
Energy: 0.763159145726429
Energy: 0.7552328378457107
Energy: 0.7702143980651606
Energy: 0.7333969485037983
Energy: 0.742576236144839
Energy: 0.7652935060799506
Energy: 0.7327554442360691
Energy: 0.7432179259300411
Energy: 0.7243967456737085
Energy: 0.7203049426246708
Energy: 0.7190185936904399
Energy: 0.745111812768517
Energy: 0.7289618972089025
Energy: 0.723060270654046
Energy: 0.7434776009162508
Energy: 0.728961138864246
Energy: 0.7498799145727993
Energy: 0.7337400304044944
Energy: 0.7591803024956175
Energy: 0.7726580552016431
Energy: 0.7551182382272779
Energy: 0.7380112054704423
Energy: 0.7423563809803663
Energy: 0.7339391193018112
Energy: 0.7346894402882626
Energy: 0.7432470070588828
Energy: 0.7335032960432469
Energy: 0.7346457259444579
Energy: 0.7837509658145116
Energy: 0.7392440370713441
Energy: 0.7395174978560166
Energy: 0.7851782892265406
Energy: 0.7445884603585858
Energy: 0.7505568147303191
Energy: 0.7528654411242754
Energy: 0.7132330610910036
Energy: 0.7524199473483069
Energy: 0.7586937370850927
Energy: 0.71319995192537
Energy: 0.7736531782718191
Energy: 0.7461312713132522
Energy: 0.7128236444927086
Energy: 0.7126407772926241
Energy: 0.7476442124849365
Energy: 0.7152839383021102
Energy: 0.7745484084028138
Energy: 0.7587075749951102
Energy: 0.7141177573300101
Energy: 0.7637190988259782
Energy: 0.7671626200763835
Energy: 0.7140928283290746
Energy: 0.7750241866576377
Energy: 0.8570790625428026
Energy: 0.7779424084285372
Energy: 0.7780423103184803
Energy: 0.841435985825965
Energy: 0.7235673449119183
Energy: 0.7984038213408455
Energy: 0.8255322472063278
Energy: 0.7192764388488047
Energy: 0.7194567425332261
Energy: 0.8259765635137724
Energy: 0.7194673049787214
Energy: 0.7399916718720616
Energy: 0.7839679805111962
Energy: 0.72220377547321
Energy: 0.7724079989618915
Energy: 0.8435940831864701
Energy: 0.7242278283223952
Energy: 0.751867978785896

minimum gb energy = 0.7126407772926241 eV
minimum distance =  2.34161936838639 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.0277201233240059
Energy: 1.158912212775632
Energy: 0.8118540583968761
Energy: 1.0275225479062928
Energy: 1.1544991015990522
Energy: 0.8079394929137647
Energy: 0.7519409541262924
Energy: 0.7001979147359438
Energy: 0.7025050691906445
Energy: 0.7335518544360075
Energy: 0.7745172630327766
Energy: 0.700679694664114
Energy: 0.7543067247941577
Energy: 0.741198826184273
Energy: 0.7472053985062149
Energy: 0.7552513480021096
Energy: 0.7160444524465188
Energy: 0.7260724138173532
Energy: 0.7307154552743563
Energy: 0.7542081001975596
Energy: 0.679919983186111
Energy: 0.725391425522056
Energy: 0.8807139890431172
Energy: 0.6801449042364399
Energy: 0.7038279565457601
Energy: 0.7389435697156349
Energy: 0.6814769316642106
Energy: 0.7001647450388832
Energy: 0.7357488063236656
Energy: 0.6807816351419096
Energy: 0.8487368647073967
Energy: 0.7509910282147927
Energy: 0.7460440593139734
Energy: 0.6826831704372435
Energy: 0.7471426367297714
Energy: 0.7475450303675858
Energy: 0.7443758886474247
Energy: 0.6949752482546929
Energy: 0.6907415776557163
Energy: 0.7452920429205311
Energy: 0.6917835454508027
Energy: 0.7457072894225977
Energy: 0.7373099866679956
Energy: 0.7053007598781712
Energy: 0.7542852082774948
Energy: 0.7384192205609232
Energy: 0.7021402028867783
Energy: 0.6802470106223932
Energy: 0.7066220306733151
Energy: 0.7364093090635396
Energy: 0.6798106722100796
Energy: 0.6677120684790419
Energy: 0.7330578292649931
Energy: 0.684772237063914
Energy: 0.667913734169482
Energy: 0.7478631576310945
Energy: 0.7712491830938408
Energy: 0.66917920907982
Energy: 0.747544027601145
Energy: 0.6852029196923191
Energy: 0.7369629879154614
Energy: 0.70576274740329
Energy: 0.6983914981060575
Energy: 0.7381384928097408
Energy: 0.7015319578220388
Energy: 0.6798102387732295
Energy: 0.7349216304291293
Energy: 0.7634280441083615
Energy: 0.7474393866057327
Energy: 0.7357790717944517
Energy: 0.849478541793868
Energy: 0.7255478140943041
Energy: 0.6795582196499698
Energy: 0.6801403213232774
Energy: 0.7000327696160464
Energy: 0.679950249902979
Energy: 0.7343078999249555
Energy: 0.7940527947880047
Energy: 0.8499414408181178
Energy: 0.7482342955360984
Energy: 0.7459645219680103
Energy: 0.8508529591099276
Energy: 0.7487864003845145
Energy: 0.7326088114496231
Energy: 0.7440672528254427
Energy: 0.6803081776065052
Energy: 0.697740349210129
Energy: 0.7445775955516231
Energy: 0.7287388405061546
Energy: 0.7685250076694459
Energy: 0.7550492248054874
Energy: 0.6917179913493084
Energy: 0.6910915027783363
Energy: 0.7562362196481953
Energy: 0.6804274012162812
Energy: 0.7321127927060644
Energy: 0.6669390125566577
Energy: 0.6826501003130059
Energy: 0.702019342733042
Energy: 0.6671834774600708
Energy: 0.6816741816623134
Energy: 0.6998181322983755

minimum gb energy = 0.6669390125566577 eV
minimum distance =  2.34702175155973 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.5698290726290374
Energy: 0.852002988876177
Energy: 0.8397387033246067
Energy: 0.7706226257913464
Energy: 0.9100084227513324
Energy: 0.8310148377117293
Energy: 0.8666392726867839
Energy: 0.7488162950151327
Energy: 0.7211064615910379
Energy: 0.8159527248162136
Energy: 0.7650557981059593
Energy: 0.7442300659172502
Energy: 0.8000260518618627
Energy: 0.7705965735678577
Energy: 0.7517569884462998
Energy: 0.8010947810970832
Energy: 0.8718725988601477
Energy: 0.7767927987112768
Energy: 0.752379037770329
Energy: 0.7122171121459685
Energy: 0.7567924759024649
Energy: 0.7527551391670652
Energy: 0.7302637611441444
Energy: 0.7403073739681857
Energy: 0.7859085317383907
Energy: 0.7347185222324749
Energy: 0.7235219388314131
Energy: 0.7843988181872724
Energy: 0.7313375415906701
Energy: 0.6997109218764853
Energy: 0.7337461033724972
Energy: 0.740623911344307
Energy: 0.76270505937149
Energy: 0.7200474175817249
Energy: 0.7779895958694775
Energy: 0.762344067381049
Energy: 0.7394093036269416
Energy: 0.7369442235266294
Energy: 0.7116527936291177
Energy: 0.7397674804511453
Energy: 0.9345061370038932
Energy: 0.7705166183389724
Energy: 0.758612486718247
Energy: 0.7029437835214137
Energy: 0.7191704223069327
Energy: 0.7829176904610079
Energy: 0.7182773335725283
Energy: 0.7257357067154815
Energy: 0.8421717651679282
Energy: 0.7373620674594455
Energy: 0.7276715008433454
Energy: 0.7946417488593909
Energy: 0.7346798584984596
Energy: 0.7493871758672316
Energy: 0.7354745615817648
Energy: 0.7121948247241744
Energy: 0.715180089247092
Energy: 0.7201071218878394
Energy: 0.7094800042709973
Energy: 0.7068633555453201
Energy: 0.7404269594280607
Energy: 0.7729101675892115
Energy: 0.7400683965715881
Energy: 0.7402335080552627
Energy: 0.7550834021982882
Energy: 0.711620214474207
Energy: 0.7390578153384707
Energy: 0.7960869688353011
Energy: 0.7197217991700006
Energy: 0.7398270350389009
Energy: 0.776836363570681
Energy: 0.7199451590826936
Energy: 0.9365161519183032
Energy: 0.7549176766904886
Energy: 0.75910428411993
Energy: 0.741947569847596
Energy: 0.7543248258252957
Energy: 0.7652923672690738
Energy: 0.7464603836471932
Energy: 0.7629281061931078
Energy: 0.7317448481850475
Energy: 0.7467007535929642
Energy: 0.7918075108720587
Energy: 0.7393136471467789
Energy: 0.7418412241327569
Energy: 0.7397529003199869
Energy: 0.7394144741042856
Energy: 0.742660712248991
Energy: 0.7206665431684622
Energy: 0.7288586489180213
Energy: 0.7190950349023505
Energy: 0.7086850041399071
Energy: 0.7080494825118342
Energy: 0.7199654898089995
Energy: 0.7668156822731604
Energy: 0.7211213627713621
Energy: 0.7293306754738024
Energy: 0.7828087788473961
Energy: 0.7569464691336871
Energy: 0.7299238756764486
Energy: 0.8407861737789617
Energy: 0.7388308673414041
Energy: 0.8693947321539532
Energy: 0.7658802078320881
Energy: 0.7701198540860642
Energy: 0.8702316558811883
Energy: 0.7644601588830918
Energy: 0.7589660782209712
Energy: 0.7628464329154371
Energy: 0.7720371890754927
Energy: 0.7421369115434577
Energy: 0.7627782046964987
Energy: 0.7948065913521987
Energy: 0.7638060880010555
Energy: 0.7634850017395503
Energy: 0.7717450633723194
Energy: 0.7427637679698393
Energy: 0.7634125340343508
Energy: 0.7691257120021696
Energy: 0.752373647571923
Energy: 0.7366132159214179
Energy: 0.7338349427995003
Energy: 0.7217008725094318
Energy: 0.7347449285835772
Energy: 0.7304526692467934
Energy: 0.7118942080268307

minimum gb energy = 0.6997109218764853 eV
minimum distance =  2.35858650828026 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.8740878568118973
Energy: 0.8121896871016574
Energy: 0.6808075451597428
Energy: 0.8749572883517103
Energy: 0.807946395079429
Energy: 0.6829789210458198
Energy: 0.776560511457373
Energy: 0.7333215483546678
Energy: 0.7198250867716736
Energy: 0.7719310465836987
Energy: 0.7370123335108015
Energy: 0.7212632576516191
Energy: 0.8200082406606077
Energy: 0.7913785370331073
Energy: 0.7539622122795483
Energy: 0.8211505893306151
Energy: 0.7685593448499438
Energy: 0.7685011932321825
Energy: 0.7862012196123553
Energy: 0.7235251624109077
Energy: 0.7463702471552873
Energy: 0.7859023725732505
Energy: 0.788569095268031
Energy: 0.7949175593850164
Energy: 0.7809150672528067
Energy: 0.7119366351916419
Energy: 0.7082033210521739
Energy: 0.7814862122271881
Energy: 0.7135548154355504
Energy: 0.7071239283028383
Energy: 0.7809557617242504
Energy: 0.7119133105221072
Energy: 0.7537626397064382
Energy: 0.7817889112273334
Energy: 0.7114325951100076
Energy: 0.7460304079977614
Energy: 0.7004102008702842
Energy: 0.7498845730187567
Energy: 0.6474006067056753
Energy: 0.7013564574081845
Energy: 0.7482656509882274
Energy: 0.648823821171947
Energy: 0.7048783809815041
Energy: 0.6480448985120681
Energy: 0.743496230020652
Energy: 0.7047854602327672
Energy: 0.6474582248403249
Energy: 0.6992191708276893
Energy: 0.9060456201601713
Energy: 0.7632939981519437
Energy: 0.7582320360025591
Energy: 0.7682068334556424
Energy: 0.7868235623758666
Energy: 0.7586667118082479
Energy: 0.7517784191819877
Energy: 0.7860409179084473
Energy: 0.7930698230354732
Energy: 0.7999015617530427
Energy: 0.8066497636249764
Energy: 0.7973042531121066
Energy: 0.7046403226222167
Energy: 0.8031283067554216
Energy: 0.7581621254688743
Energy: 0.7046148976514118
Energy: 0.7916153768809442
Energy: 0.6958197698518616
Energy: 0.7486491324589283
Energy: 0.772790038874053
Energy: 0.7331937262909538
Energy: 0.7493403332497779
Energy: 0.8017087798663691
Energy: 0.7326109065529712
Energy: 0.7436632927133308
Energy: 0.7301519952179145
Energy: 0.6495372564701248
Energy: 0.7457445702754845
Energy: 0.7265159033233519
Energy: 0.648661483544151
Energy: 0.759610638412717
Energy: 0.7291089220551732
Energy: 0.7164747811260666
Energy: 0.7612346512080609
Energy: 0.7299397858965879
Energy: 0.6503323841188656
Energy: 0.7988592007319382
Energy: 0.770223415802603
Energy: 0.7326389005932098
Energy: 0.7996506400026561
Energy: 0.7762544554021944
Energy: 0.7320447258326004
Energy: 0.7997642630710151
Energy: 0.7826818392297474
Energy: 0.8025227359618332
Energy: 0.8007301310469055
Energy: 0.7935646974135152
Energy: 0.7838024804527177
Energy: 0.7324911911750335
Energy: 0.7299286872818217
Energy: 0.7141935337580845
Energy: 0.7329461360204528
Energy: 0.7303408922834572
Energy: 0.7343031619293954
Energy: 0.7793762645821182
Energy: 0.7121600699351612
Energy: 0.7093036560144104
Energy: 0.7639540096455115
Energy: 0.7139638545881667
Energy: 0.7098635599755582
Energy: 0.7026221146149338
Energy: 0.7523400891228584
Energy: 0.6502242095228081
Energy: 0.7036038439219645
Energy: 0.7490912496274151
Energy: 0.6500892151704286
Energy: 0.7065387441149402
Energy: 0.7452412708276234
Energy: 0.6499325460214416
Energy: 0.7077247114781887
Energy: 0.7491098590009299
Energy: 0.6499654780744337
Energy: 0.8502920595163225
Energy: 0.7109800594596444
Energy: 0.7103264974523663
Energy: 0.8492765141402496
Energy: 0.7668210229158976
Energy: 0.7102472290092902
Energy: 0.7749904030471768
Energy: 0.7805742034400256
Energy: 0.7773459606393831
Energy: 0.7675254633852383
Energy: 0.7773964081451704
Energy: 0.7538731697458637
Energy: 0.7035909619161387
Energy: 0.7353471619109639
Energy: 0.7455986497254538
Energy: 0.7036653058625486
Energy: 0.7351237067576137
Energy: 0.729956365919483
Energy: 0.7509281377323753
Energy: 0.782449914847635
Energy: 0.746472737677987
Energy: 0.704021629376936
Energy: 0.7810038939437302
Energy: 0.7063893780387042
Energy: 0.6982125839230419
Energy: 0.7346856257839617
Energy: 0.7338673116336341
Energy: 0.6988432720881116
Energy: 0.7440674469785689
Energy: 0.6957617102310346

minimum gb energy = 0.6474006067056753 eV
minimum distance =  2.37075986104296 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.52132564876009
Energy: 0.7259168121991708
Energy: 0.6834844706480047
Energy: 0.808913470543811
Energy: 0.7725200338288503
Energy: 0.6848819423548193
Energy: 0.7127531563007871
Energy: 0.7574063048820977
Energy: 0.7466829001162879
Energy: 0.7128616964648409
Energy: 0.7554825586210303
Energy: 0.7419955013621228
Energy: 0.7133354721774503
Energy: 0.7943134965523885
Energy: 0.70397864468271
Energy: 0.7133488765600462
Energy: 0.7922342550320071
Energy: 0.7041379637643457
Energy: 0.7153080880994369
Energy: 0.7034155442079159
Energy: 0.7645326123427894
Energy: 0.7151085173063236
Energy: 0.715358830912589
Energy: 0.703638382381682
Energy: 0.7868240698437861
Energy: 0.7133328359187368
Energy: 0.7025129866486145
Energy: 0.7874987414848192
Energy: 0.7150284539999384
Energy: 0.7023772945678729
Energy: 0.7164806852362896
Energy: 0.7033967684741723
Energy: 0.7414542727948534
Energy: 0.716605947284974
Energy: 0.7122662311056496
Energy: 0.7029620450808979
Energy: 0.7787659497273964
Energy: 0.7894330039309153
Energy: 0.7411393401627255
Energy: 0.7893212851087271
Energy: 0.7954310987180574
Energy: 0.6956549875540562
Energy: 0.7507060539227243
Energy: 0.738256581536633
Energy: 0.7733070046175009
Energy: 0.751347149548141
Energy: 0.6934006361063153
Energy: 0.7734801847524315
Energy: 0.7714487005034537
Energy: 0.71337957862529
Energy: 0.7161569853306192
Energy: 0.7724760340405165
Energy: 0.7130481606875024
Energy: 0.7108383310703075
Energy: 0.7700361077045953
Energy: 0.6977158271384905
Energy: 0.6982111507730913
Energy: 0.7708111666657248
Energy: 0.7153791199719937
Energy: 0.6965215100825939
Energy: 0.7019767130584028
Energy: 0.7968703843028458
Energy: 0.6888333086248217
Energy: 0.7021139290706873
Energy: 0.79692563020292
Energy: 0.7003638749182876
Energy: 0.6949183503824966
Energy: 0.6975801933557195
Energy: 0.6971448762236219
Energy: 0.6949312876077243
Energy: 0.7360532828327307
Energy: 0.6926299279257353
Energy: 0.7817526200846455
Energy: 0.7690454305328029
Energy: 0.7557162828027831
Energy: 0.7885123774952362
Energy: 0.766986689804354
Energy: 0.7158481910298574
Energy: 0.693170890033161
Energy: 0.7208641735637809
Energy: 0.7210640689725396
Energy: 0.6933794034233736
Energy: 0.7203609398752536
Energy: 0.720551793769047
Energy: 0.6945055238892122
Energy: 0.7501398083775197
Energy: 0.6965520508456845
Energy: 0.6945294238641478
Energy: 0.7497512899879606
Energy: 0.6964663078796492
Energy: 0.6944387805746023
Energy: 0.6851469787759411
Energy: 0.7384090789787884
Energy: 0.6946201925759968
Energy: 0.7582123624307457
Energy: 0.6874188185346914
Energy: 0.7632022510529006
Energy: 0.7263105629087769
Energy: 0.6882756971654619
Energy: 0.750843708367187
Energy: 0.7264170316158046
Energy: 0.6878759175997103
Energy: 0.6960000509301753
Energy: 0.7637274041327564
Energy: 0.6861840655494654
Energy: 0.696151748015729
Energy: 0.7637049721696182
Energy: 0.6869449741415709
Energy: 0.7277188863979527
Energy: 0.7464641353850093
Energy: 0.6896857253308993
Energy: 0.7288610892254628
Energy: 0.7841277557055791
Energy: 0.7276656262971709
Energy: 0.7148496252404274
Energy: 0.7465721173831811
Energy: 0.6890270954528374
Energy: 0.7155324137329615
Energy: 0.7837667933635929
Energy: 0.7153122281964807
Energy: 0.7529205890197399
Energy: 0.6955656797755627
Energy: 0.6919850237864072
Energy: 0.7531646262464997
Energy: 0.6947799302646136
Energy: 0.6867010121119148
Energy: 0.7497798798322424
Energy: 0.6958297044846534
Energy: 0.692861383748668
Energy: 0.7590547172341116
Energy: 0.6946941454929697
Energy: 0.692699343665806
Energy: 0.7487562920725058
Energy: 0.7714406078987263
Energy: 0.6827251071913885
Energy: 0.7481783386755294
Energy: 0.7954384385965049
Energy: 0.7500965328256731
Energy: 0.7745734973228103
Energy: 0.7312295379963466
Energy: 0.7422313577145325
Energy: 0.7753735163621416
Energy: 0.6853680970958906
Energy: 0.7421914206979544
Energy: 0.7605047656889746
Energy: 0.7325869519951591
Energy: 0.7020104381583187
Energy: 0.7609855451838559
Energy: 0.732171163186311
Energy: 0.6926580829599663
Energy: 0.7756863759806523
Energy: 0.7020532742890254
Energy: 0.6937880147907186
Energy: 0.7688478549422497
Energy: 0.7026324704914587
Energy: 0.6907257628715794
Energy: 0.7158134852001865
Energy: 0.7888414195672445
Energy: 0.6973551138452142
Energy: 0.7152274144129538
Energy: 0.7747712348729067
Energy: 0.6973658211960935
Energy: 0.7119735995345094
Energy: 0.7829988514400518
Energy: 0.7556120584080223
Energy: 0.7120702140117363
Energy: 0.7706500136322922
Energy: 0.7080660200267276
Energy: 0.6944317169170969
Energy: 0.774909348494535
Energy: 0.7757174447212929
Energy: 0.69377897671035
Energy: 0.7745024379579556
Energy: 0.7396561347053651

minimum gb energy = 0.6827251071913885 eV
minimum distance =  2.35108622737954 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.1850106597196586
Energy: 1.2069340425020203
Energy: 0.697855474346561
Energy: 0.6755791759815385
Energy: 1.2043759213047438
Energy: 0.6864658746122794
Energy: 0.696647499793574
Energy: 0.7169824666505245
Energy: 0.7114162532015424
Energy: 0.704697800729583
Energy: 0.7148320071619073
Energy: 0.6861517182140823
Energy: 0.7044392964196236
Energy: 0.7681472835209757
Energy: 0.7306007924976282
Energy: 0.7048851044313514
Energy: 0.767700833504325
Energy: 0.690229999579412
Energy: 0.7040576096065986
Energy: 0.6858945101188034
Energy: 0.6867038121705301
Energy: 0.7047263399932162
Energy: 0.7039986740663272
Energy: 0.6858047083632953
Energy: 0.7579679892871439
Energy: 0.7077973705529886
Energy: 0.6891101896767514
Energy: 0.7593115981861719
Energy: 0.7051652192732005
Energy: 0.6939813202367542
Energy: 0.7538503293760165
Energy: 0.6826348723940261
Energy: 0.6861681086464593
Energy: 0.7544887769500156
Energy: 0.7043198338108023
Energy: 0.6844831080209541
Energy: 0.6884564567873227
Energy: 0.7325364999196379
Energy: 0.7150186094510536
Energy: 0.6887153194411394
Energy: 0.7100533642011113
Energy: 0.6813672630739827
Energy: 0.7257528771817527
Energy: 0.6923415997704105
Energy: 0.7263478846233709
Energy: 0.7268467705351117
Energy: 0.7153291735758905
Energy: 0.7262364673913322
Energy: 0.7359588113398532
Energy: 0.7044782798435645
Energy: 0.6918209029884413
Energy: 0.7368983927100408
Energy: 0.7052904205389838
Energy: 0.6840246875561551
Energy: 0.7356473766316063
Energy: 0.6834350251890781
Energy: 0.6875801748582293
Energy: 0.7359283229553522
Energy: 0.7039397306874755
Energy: 0.6872799815565803
Energy: 0.6897282557110709
Energy: 0.7646752775233211
Energy: 0.6763131253905121
Energy: 0.6914699281416691
Energy: 0.7122979669124696
Energy: 0.6900217425607781
Energy: 0.7288483773814404
Energy: 0.6832381954719848
Energy: 0.7150242510963792
Energy: 0.7297937765715281
Energy: 0.7105782645722925
Energy: 0.6871131136986053
Energy: 0.7448712728137684
Energy: 0.7283531644749045
Energy: 0.7284680096561619
Energy: 0.7456277489757497
Energy: 0.7281275129941193
Energy: 0.7239926422227329
Energy: 0.7536819579650578
Energy: 0.7204368257731115
Energy: 0.7156512632657441
Energy: 0.7622374711801848
Energy: 0.7172593081550095
Energy: 0.7164954753329948
Energy: 0.7028087073390441
Energy: 0.7443825915462654
Energy: 0.7190928982952478
Energy: 0.7039061483267052
Energy: 0.7416478073010647
Energy: 0.7002609169423655
Energy: 0.704130748323163
Energy: 0.7044160508123724
Energy: 0.7051517240999728
Energy: 0.704711800351643
Energy: 0.7034112869683028
Energy: 0.686589555136502
Energy: 0.7320582889601509
Energy: 0.7743293268872835
Energy: 0.7394105031130188
Energy: 0.7103759490275223
Energy: 0.7711366042994978
Energy: 0.6753516481423938
Energy: 0.6783692137115274
Energy: 0.7144636369719273
Energy: 0.710095627551577
Energy: 0.6784726901886365
Energy: 0.7154442053592008
Energy: 0.7405092189906831
Energy: 0.7042283311488166
Energy: 0.7672175354270498
Energy: 0.7428006164970433
Energy: 0.7049610560602203
Energy: 0.7664774291500955
Energy: 0.6860613994009993
Energy: 0.7053901356685365
Energy: 0.7797311795497334
Energy: 0.6862799676887107
Energy: 0.7061466498577674
Energy: 0.7677913549681786
Energy: 0.6858828151898408
Energy: 0.7556346316382202
Energy: 0.7055105929802181
Energy: 0.6834426882943456
Energy: 0.7558316112109189
Energy: 0.7026621388159355
Energy: 0.6868374533533964
Energy: 0.7538592167353191
Energy: 0.7067834785412509
Energy: 0.686067790726324
Energy: 0.7546314356022541
Energy: 0.7038345576430194
Energy: 0.7041348510545328
Energy: 0.7526257020814608
Energy: 0.7327633096935293
Energy: 0.6815936632242361
Energy: 0.7528430650907255
Energy: 0.7588288540960598
Energy: 0.6823313550069199
Energy: 0.7265060151303753
Energy: 0.7597324605781727
Energy: 0.7120623670186224
Energy: 0.7273559581666048
Energy: 0.696082628081177
Energy: 0.7260792006140158
Energy: 0.7355927336444992
Energy: 0.7047290543993326
Energy: 0.6917136426972061
Energy: 0.7355209254085882
Energy: 0.7037029333968312
Energy: 0.6850044091870927
Energy: 0.7476146894234499
Energy: 0.7052573720197322
Energy: 0.6870716849883437
Energy: 0.7407563597528279
Energy: 0.7042053814931691
Energy: 0.687250458335963
Energy: 0.7194043751974529
Energy: 0.7674279003309117
Energy: 0.6748142201347423
Energy: 0.7202476978999285
Energy: 0.7699974987671524
Energy: 0.6874648734830794
Energy: 0.7126650975340515
Energy: 0.76384478479684
Energy: 0.6778554127542608
Energy: 0.705437603742016
Energy: 0.7663081633711417
Energy: 0.6858405620530799
Energy: 0.7520221531041403
Energy: 0.7280793170214656
Energy: 0.728618602587359
Energy: 0.7533174808396469
Energy: 0.7318717435902206
Energy: 0.6886915118437555
Energy: 0.7471349730608889
Energy: 0.7225551600459955
Energy: 0.7161389825436162
Energy: 0.7479275289973111
Energy: 0.6854563772650324
Energy: 0.6871334331902708
Energy: 0.7035827889563654
Energy: 0.741332923450815
Energy: 0.7355735631052346
Energy: 0.7041825000523515
Energy: 0.7473928470268784
Energy: 0.6870541260974753
Energy: 0.7032518623658913
Energy: 0.7652413254902769
Energy: 0.7296242121044519
Energy: 0.7036495799814075
Energy: 0.7370562809167414
Energy: 0.6862879330645677
Energy: 0.7397394650428262
Energy: 0.7122181902262826
Energy: 0.7444670839517287
Energy: 0.7399851803485745
Energy: 0.7352198077642419
Energy: 0.7420191465120297

minimum gb energy = 0.6748142201347423 eV
minimum distance =  2.36093778866911 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015405947128322134
Energy: 0.7945924677471414
Energy: 0.016125449589352442
Energy: 0.017183776919351402
Energy: 0.7933213441870969
Energy: 0.015997344230088993
Energy: 0.3065039374210688
Energy: 0.10559123921870432
Energy: 0.10465040774776597
Energy: 0.10807128549863744
Energy: 0.10682831444940612
Energy: 0.10442798814242232
Energy: 0.9906741271454048
Energy: 0.791313867925644
Energy: 0.7893362423953759
Energy: 0.7933060699158817
Energy: 0.7927583562270374
Energy: 0.7896673155459085
Energy: 0.3065039374219288
Energy: 0.10559123921914662
Energy: 0.10465040774776597
Energy: 0.10807128549819517
Energy: 0.10682831444984842
Energy: 0.10442798814286461

minimum gb energy = 0.015405947128322134 eV
minimum distance =  2.52329349603135 Angstroms
sigma value = 1