Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_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=3.6149601638317113
cohesive_energy=3.540273359423524
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013696098702241796
Energy: 0.5690482087646843
Energy: 0.013696098702520565
Energy: 0.5690482087643708
Energy: 0.013696098702520565
Energy: 0.5690482087640572
Energy: 0.5690482087643708
Energy: 0.3346715942349877
Energy: 0.5690482087643708
Energy: 0.3346715942349877
Energy: 0.5690482087640572
Energy: 0.3346715942349877
Energy: 0.013696098702241796
Energy: 0.5690482087643708
Energy: 0.013696098702520565
Energy: 0.5690482087643708
Energy: 0.013696098702520565
Energy: 0.5690482087643708
Energy: 0.5690482087643708
Energy: 0.3346715942349877
Energy: 0.5690482087643708
Energy: 0.3346715942349877
Energy: 0.5690482087643708
Energy: 0.3346715942340817
Energy: 0.013696098702241796
Energy: 0.5690482087646843
Energy: 0.013696098702520565
Energy: 0.5690482087646843
Energy: 0.013696098702520565
Energy: 0.5690482087646843
Energy: 0.5690482087643708
Energy: 0.3346715942346741
Energy: 0.5690482087643708
Energy: 0.33467159423436044
Energy: 0.5690482087646843
Energy: 0.3346715942349877

minimum gb energy = 0.013696098702241796 eV
minimum distance =  2.52861337810568 Angstroms
sigma value = 1


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

Energy: 0.8104097754783134
Energy: 0.7694471537219728
Energy: 0.8104097754798231
Energy: 0.7694471537219728
Energy: 0.8104097754790683
Energy: 0.7694471537219728
Energy: 0.8772953555655113
Energy: 0.7228115508477645
Energy: 0.8772953555670213
Energy: 0.7228115508477645
Energy: 0.8772953555617369
Energy: 0.7228115508477645
Energy: 0.807398657331287
Energy: 0.7977447460872908
Energy: 0.8073986573320419
Energy: 0.7977447460895556
Energy: 0.807398657331287
Energy: 0.7977447460857812
Energy: 0.782331091106139
Energy: 0.7567317864748215
Energy: 0.782331091122747
Energy: 0.7567317864755765
Energy: 0.7823310911582277
Energy: 0.7567317864748215
Energy: 0.7894226129793422
Energy: 0.8388323987616253
Energy: 0.7894226129800973
Energy: 0.8388323987616253
Energy: 0.7894226129793422
Energy: 0.8388323987616253
Energy: 0.8188822476239443
Energy: 0.7443745338200098
Energy: 0.8188822476224346
Energy: 0.7443745338200098
Energy: 0.8188822476231895
Energy: 0.7443745338200098
Energy: 0.7770309363247311
Energy: 0.8009311854489395
Energy: 0.7770309363269959
Energy: 0.8009311854527139
Energy: 0.777030936326241
Energy: 0.8009311854519591
Energy: 0.755921010039673
Energy: 0.8574239134736962
Energy: 0.755921010039673
Energy: 0.8574239134744511
Energy: 0.755921010039673
Energy: 0.8574239134721864
Energy: 0.8246929569370631
Energy: 0.810432542406834
Energy: 0.8246929569355533
Energy: 0.810432542406834
Energy: 0.8246929569363082
Energy: 0.810432542406834
Energy: 0.7132116215765091
Energy: 0.8499285689657556
Energy: 0.7132116215765091
Energy: 0.8499285689620155
Energy: 0.7132116215772639
Energy: 0.8499285689612606
Energy: 0.8296770483219389
Energy: 0.734815302682268
Energy: 0.8296770483211838
Energy: 0.734815302682268
Energy: 0.8296770483219389
Energy: 0.734815302682268
Energy: 0.6980968233441812
Energy: 0.7992416342688348
Energy: 0.6980968233426713
Energy: 0.7992425049817714
Energy: 0.6980968233449361
Energy: 0.7992411441000511
Energy: 0.8772794138953816
Energy: 0.6929976577681297
Energy: 0.8772794138953816
Energy: 0.6929976577681297
Energy: 0.8772794138946266
Energy: 0.6929976577681297
Energy: 0.74182545101923
Energy: 0.7534693168508395
Energy: 0.74182545101923
Energy: 0.7534693168508395
Energy: 0.74182545101923
Energy: 0.7534693168515946
Energy: 0.8935572571485733
Energy: 0.7218895998804006
Energy: 0.8935572571493282
Energy: 0.7218895998811555
Energy: 0.8935572571493282
Energy: 0.7218895998811555
Energy: 0.8891454535567749
Energy: 0.8140690004200833
Energy: 0.8891454535582848
Energy: 0.8140690004185737
Energy: 0.8891454535582848
Energy: 0.8140690004208385
Energy: 0.7978714675669699
Energy: 0.7964575113240752
Energy: 0.7978714675662151
Energy: 0.7964575113233203
Energy: 0.7978714675684798
Energy: 0.7964575113233203
Energy: 0.7978410590406461
Energy: 0.7547730895298317
Energy: 0.7978410590376265
Energy: 0.7547730895305865
Energy: 0.7978410590391365
Energy: 0.7547730895313072
Energy: 0.714423630770876
Energy: 0.7571291365320392
Energy: 0.7144236307716308
Energy: 0.7571291365327942
Energy: 0.7144236307716308
Energy: 0.7571291365320392
Energy: 0.8086318329760008
Energy: 0.7443042730310458
Energy: 0.8086318329760008
Energy: 0.7443042730310458
Energy: 0.8086318329760008
Energy: 0.7443042730310458
Energy: 0.7260719794801257
Energy: 0.8733390808548741
Energy: 0.7260719794808805
Energy: 0.873339080855629
Energy: 0.7260719794808805
Energy: 0.8733390808548741
Energy: 0.8179933712675811
Energy: 0.8025531369347676
Energy: 0.8179933712690909
Energy: 0.8025531369347676
Energy: 0.8179933712675811
Energy: 0.8025531369347676
Energy: 0.6938499828915727
Energy: 0.8641648824432197
Energy: 0.6938499828915727
Energy: 0.8641648824386902
Energy: 0.6938499828923276
Energy: 0.8641648824447296

minimum gb energy = 0.6929976577681297 eV
minimum distance =  2.30118014824812 Angstroms
sigma value = 33


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

Energy: 0.8532531027543905
Energy: 0.8509344532021105
Energy: 0.8122611006619143
Energy: 0.8509344532012517
Energy: 0.853253102758255
Energy: 0.8509344532012517
Energy: 0.8468828854452346
Energy: 0.7571668956438709
Energy: 0.8468828854448053
Energy: 0.7571668956412945
Energy: 0.8468828854448053
Energy: 0.7571668956417239
Energy: 0.7223401726675597
Energy: 0.7602860739109736
Energy: 0.7223401726679891
Energy: 0.7602860739050012
Energy: 0.7223401726654126
Energy: 0.7602860739083973
Energy: 0.8362517325808451
Energy: 0.8132684456944641
Energy: 0.8362517325778392
Energy: 0.8132684456832999
Energy: 0.8362517325782686
Energy: 0.8132684456824413
Energy: 0.7978778776531302
Energy: 0.7871114352767963
Energy: 0.7978778776522716
Energy: 0.7871114352737906
Energy: 0.7978778776539891
Energy: 0.7871114352729318
Energy: 0.7695071963235317
Energy: 0.6961875066116772
Energy: 0.7695071963256787
Energy: 0.6961875066129652
Energy: 0.7695071963231023
Energy: 0.6961875066121065
Energy: 0.8564323829666611
Energy: 0.829591960967979
Energy: 0.8564323829636554
Energy: 0.8295919609705554
Energy: 0.8564323829640849
Energy: 0.8295919609709848
Energy: 0.6867056351625604
Energy: 0.8570339492341763
Energy: 0.6867056351548314
Energy: 0.8570339492367134
Energy: 0.6867056351569782
Energy: 0.8570339492392898
Energy: 0.7206579287298782
Energy: 0.7208786906169198
Energy: 0.7206579287273018
Energy: 0.720878690621643
Energy: 0.7206579287273018
Energy: 0.7208786906212136
Energy: 0.7253652849381786
Energy: 0.8504995407004131
Energy: 0.7253640039412302
Energy: 0.8504995406969779
Energy: 0.7253652849407551
Energy: 0.8504995406969779
Energy: 0.8553253485565869
Energy: 0.7221844539886975
Energy: 0.855325348553581
Energy: 0.7221844539886975
Energy: 0.8553253485557281
Energy: 0.7221844539882681
Energy: 0.7212855654969038
Energy: 0.7603389531002464
Energy: 0.7212854734443657
Energy: 0.7603389531071165
Energy: 0.7212855654956156
Energy: 0.7603389531071165
Energy: 0.8141868911997238
Energy: 0.7210896331781538
Energy: 0.8141868912005825
Energy: 0.7210896331768656
Energy: 0.8141868911984356
Energy: 0.7210896331768656
Energy: 0.823647504699567
Energy: 0.8553849926330311
Energy: 0.823647504699567
Energy: 0.8553849926368955
Energy: 0.8236475046991376
Energy: 0.8553849926368955
Energy: 0.7922773030061683
Energy: 0.7619896384106598
Energy: 0.7922773030018744
Energy: 0.7619896383973488
Energy: 0.7922773030078857
Energy: 0.7619896383977782
Energy: 0.7194274210092874
Energy: 0.7607119651322639
Energy: 0.7194274210157282
Energy: 0.7607119651344109
Energy: 0.7194274210204515
Energy: 0.7607119651339815
Energy: 0.8608538084829339
Energy: 0.8139557693326326
Energy: 0.8608538084794987
Energy: 0.8139557693386438
Energy: 0.8608538084816456
Energy: 0.8139557693390734
Energy: 0.7995470862720025
Energy: 0.6967310073006544
Energy: 0.7995470862685675
Energy: 0.6967310072967898
Energy: 0.7995470862685675
Energy: 0.6967310072963604
Energy: 0.771226922955696
Energy: 0.7745526807721167
Energy: 0.7712269229565547
Energy: 0.7745526807789869
Energy: 0.771226922956984
Energy: 0.7745526807738342
Energy: 0.85202302441971
Energy: 0.8150562394025843
Energy: 0.8520230244214276
Energy: 0.8150562394008667
Energy: 0.8520230244257215
Energy: 0.815056239401296
Energy: 0.6854904392458417
Energy: 0.8232391075853281
Energy: 0.6854904392445926
Energy: 0.8232393186192939
Energy: 0.6854904392492769
Energy: 0.8232393377091981
Energy: 0.7604023112773063
Energy: 0.7234599862077726
Energy: 0.760402311276877
Energy: 0.7234599862000436
Energy: 0.7604023112777358
Energy: 0.7234599862000436
Energy: 0.7227735883887416
Energy: 0.6704469995279264
Energy: 0.7227757972943959
Energy: 0.6706175996906316
Energy: 0.722773588383589
Energy: 0.6705146806960253
Energy: 0.8548269024335908
Energy: 0.7930190347161115
Energy: 0.8548269024327322
Energy: 0.7930190347118174
Energy: 0.8548269024318732
Energy: 0.7930190347118174
Energy: 0.7222200494578326
Energy: 0.7694756836189913
Energy: 0.7224012808309505
Energy: 0.769475683618562
Energy: 0.7222200494539682
Energy: 0.7694756836194206
Energy: 0.874183614884234
Energy: 0.843736147952879
Energy: 0.8127588710601092
Energy: 0.8437361479515908
Energy: 0.8741836148846635
Energy: 0.8437361479515908
Energy: 0.8597221625291613
Energy: 0.8329333055785698
Energy: 0.8129650509951251
Energy: 0.8329333055845813
Energy: 0.8597221625214323
Energy: 0.8329333055845813
Energy: 0.722101348785624
Energy: 0.7611889186105949
Energy: 0.7221013487826182
Energy: 0.7611889186114537
Energy: 0.7221013487860534
Energy: 0.7611889186157474
Energy: 0.6530722586336245
Energy: 0.7570836319668374
Energy: 0.6533322282558641
Energy: 0.757083631964261
Energy: 0.6533864900256009
Energy: 0.757083631964261
Energy: 0.7235603323280877
Energy: 0.853685733566426
Energy: 0.7235603323267995
Energy: 0.8536857335698612
Energy: 0.7235603323246527
Energy: 0.8536857335720082
Energy: 0.7990877831813974
Energy: 0.6959533682850773
Energy: 0.7990877831822564
Energy: 0.6959533682837892
Energy: 0.799087783181827
Energy: 0.6959533682820715
Energy: 0.7206850445725859
Energy: 0.8257933817984813
Energy: 0.7206850445708683
Energy: 0.8257933817989107
Energy: 0.7206850445747328
Energy: 0.8257933817967639
Energy: 0.852460624895752
Energy: 0.8150739937917993
Energy: 0.8524606248966108
Energy: 0.8150739937960932
Energy: 0.8524606248953225
Energy: 0.8150739937960932
Energy: 0.7634003145148377
Energy: 0.7925451286378925
Energy: 0.7634003145114027
Energy: 0.7925451286400395
Energy: 0.7634003145105438
Energy: 0.7925451286370336
Energy: 0.7606604448794002
Energy: 0.7196110837395476
Energy: 0.7606604448751063
Energy: 0.7196110837399771
Energy: 0.7606604448768239
Energy: 0.7196110837404065
Energy: 0.8180761890232788
Energy: 0.8380924279255435
Energy: 0.8180761890198828
Energy: 0.8380924279229671
Energy: 0.8180761890181651
Energy: 0.8380924279212495
Energy: 0.7193307138746556
Energy: 0.797096583836065
Energy: 0.7193333358727778
Energy: 0.7970965838377826
Energy: 0.7193307138712206
Energy: 0.7970965838356356
Energy: 0.7744532634465735
Energy: 0.7710166106047293
Energy: 0.7744532634508673
Energy: 0.7710166106038704
Energy: 0.7744532634495792
Energy: 0.7710166106038704
Energy: 0.8236507163504194
Energy: 0.8553539389444668
Energy: 0.8236507163482726
Energy: 0.8553539389406024
Energy: 0.8236507163482726
Energy: 0.8553539389397435
Energy: 0.824166242239801
Energy: 0.6860390840533975
Energy: 0.8241662404457699
Energy: 0.6860390840688165
Energy: 0.8241662483297241
Energy: 0.6860390840688165
Energy: 0.7212876578886402
Energy: 0.7176844911031682
Energy: 0.721287657883917
Energy: 0.7176844910993038
Energy: 0.7212876578882108
Energy: 0.7176844910984451

minimum gb energy = 0.6530722586336245 eV
minimum distance =  2.41386341593023 Angstroms
sigma value = 51


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

Energy: 0.7811422076800465
Energy: 0.8037468920303485
Energy: 0.7811422076800465
Energy: 0.8037468920293539
Energy: 0.7811422076810415
Energy: 0.8037468920293539
Energy: 0.8494906942339138
Energy: 0.7591159386512779
Energy: 0.8494906942329189
Energy: 0.7591159386512779
Energy: 0.8494906942319241
Energy: 0.7591159386512779
Energy: 0.7627797784676037
Energy: 0.792576857011068
Energy: 0.7627797784666089
Energy: 0.7925768570080833
Energy: 0.7627797784685988
Energy: 0.792576857011068
Energy: 0.7811629762333803
Energy: 0.7039690346908724
Energy: 0.7811629762303957
Energy: 0.7039690346908724
Energy: 0.7811629762333803
Energy: 0.7039690346898775
Energy: 0.8011894416538279
Energy: 0.7642710037329531
Energy: 0.8011894416538279
Energy: 0.7642710037339481
Energy: 0.801189441652833
Energy: 0.7642710037329531
Energy: 0.8472665421134608
Energy: 0.763969543876859
Energy: 0.8472665421134608
Energy: 0.763969543876859
Energy: 0.8472665421124661
Energy: 0.7639695438788489
Energy: 0.7564087541747272
Energy: 0.763891742859294
Energy: 0.756408754175722
Energy: 0.7638917428573041
Energy: 0.7564087541747272
Energy: 0.763891742859294
Energy: 0.7321093833278567
Energy: 0.76467512367166
Energy: 0.7321093833288516
Energy: 0.76467512367166
Energy: 0.7321093833288516
Energy: 0.76467512367166
Energy: 0.8815903601630997
Energy: 0.700733915096848
Energy: 0.881590360633457
Energy: 0.7007339150958531
Energy: 0.8815903608781095
Energy: 0.700733915096848
Energy: 0.711686759373823
Energy: 0.6330934935305654
Energy: 0.711686759373823
Energy: 0.6329775983103639
Energy: 0.711686759373823
Energy: 0.6318882346355876
Energy: 0.8295942278242814
Energy: 0.7036898277621683
Energy: 0.8295942278232865
Energy: 0.7036898277611735
Energy: 0.8295942278222916
Energy: 0.7036898277621683
Energy: 0.7828094434216207
Energy: 0.8050578950993297
Energy: 0.7828094434226158
Energy: 0.8050578950983348
Energy: 0.7828094434216207
Energy: 0.8050578950993297
Energy: 0.8465952232488193
Energy: 0.7592354417570022
Energy: 0.8465952024429882
Energy: 0.7592354417570022
Energy: 0.8465951390528085
Energy: 0.7592354417570022
Energy: 0.7630587767327867
Energy: 0.7357756263966889
Energy: 0.7630587767317917
Energy: 0.7357756263946992
Energy: 0.7630587767317917
Energy: 0.7357756263946992
Energy: 0.7814588147929609
Energy: 0.7843549419538268
Energy: 0.7814588147929609
Energy: 0.7843549419538268
Energy: 0.781458814791966
Energy: 0.7843549419528318
Energy: 0.7997606493710546
Energy: 0.7639539641857179
Energy: 0.799760649369065
Energy: 0.7639539641827332
Energy: 0.7997606493700599
Energy: 0.7639539641837281
Energy: 0.800736181788415
Energy: 0.830090400917183
Energy: 0.800736181788415
Energy: 0.830090400916188
Energy: 0.800736181788415
Energy: 0.8300904009181779
Energy: 0.7869902412240395
Energy: 0.7679533312497363
Energy: 0.7869902412240395
Energy: 0.7679533312507313
Energy: 0.7869902412240395
Energy: 0.7679533312497363

minimum gb energy = 0.6318882346355876 eV
minimum distance =  2.28900458832479 Angstroms
sigma value = 19


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

Energy: 0.6336760319080474
Energy: 0.6737543671977172
Energy: 0.6336760319092277
Energy: 0.6737543671983074
Energy: 0.6336760319086376
Energy: 0.6737543671977172
Energy: 0.7297679586552798
Energy: 0.7788833225720653
Energy: 0.7297679586535094
Energy: 0.7788833225720653
Energy: 0.7297679586564602
Energy: 0.7788833225714751
Energy: 0.6291889000450608
Energy: 0.7787666894937094
Energy: 0.6291889000450608
Energy: 0.778766689491939
Energy: 0.6291889000444706
Energy: 0.7787666894925291
Energy: 0.6700356048016256
Energy: 0.6291506352141563
Energy: 0.6700356048016256
Energy: 0.6291506352135661
Energy: 0.6700356048010355
Energy: 0.6291506352141563
Energy: 0.636136462463082
Energy: 0.6325186918969555
Energy: 0.6361364624660326
Energy: 0.6325186918963652
Energy: 0.6361364624648523
Energy: 0.6325186918987258
Energy: 0.6360846739548673
Energy: 0.6322997758665283
Energy: 0.6360846739584082
Energy: 0.6322997758688889
Energy: 0.6360846739572279
Energy: 0.6322997758682988
Energy: 0.6699954810088762
Energy: 0.629128392024614
Energy: 0.6699954810094662
Energy: 0.6291283920252041
Energy: 0.6699954810082861
Energy: 0.6291283920240238
Energy: 0.629183601412734
Energy: 0.7787479452980983
Energy: 0.6291836014121438
Energy: 0.7787479452969179
Energy: 0.629183601412734
Energy: 0.7787479452963278
Energy: 0.729725439715481
Energy: 0.7788876753988748
Energy: 0.7297254397160711
Energy: 0.7788876753988748
Energy: 0.7297254397119401
Energy: 0.7788876753988748
Energy: 0.6336760319092277
Energy: 0.6737543671977172
Energy: 0.6336760319080474
Energy: 0.6737543671971271
Energy: 0.6336760319092277
Energy: 0.6737543671977172
Energy: 0.7297679586523291
Energy: 0.7788833225714751
Energy: 0.7297679586540996
Energy: 0.7788833225714751
Energy: 0.7297679586535094
Energy: 0.7788833225714751
Energy: 0.6291889000444706
Energy: 0.7787666894942996
Energy: 0.6291889000456509
Energy: 0.7787666894931192
Energy: 0.6291889000450608
Energy: 0.778766689491939
Energy: 0.6700356048028059
Energy: 0.6291506352147463
Energy: 0.6700356048022157
Energy: 0.6291506352141563
Energy: 0.6700356048039862
Energy: 0.6291506352147463
Energy: 0.6361364624666227
Energy: 0.6325186918969555
Energy: 0.6361364624654424
Energy: 0.632518691895185
Energy: 0.6361364624660326
Energy: 0.632518691895185
Energy: 0.6360846739548673
Energy: 0.6322997758682988
Energy: 0.6360846739536871
Energy: 0.6322997758688889
Energy: 0.6360846739554575
Energy: 0.6322997758659382
Energy: 0.6699954810100563
Energy: 0.629128392024614
Energy: 0.6699954810094662
Energy: 0.629128392024614
Energy: 0.6699954810071057
Energy: 0.629128392024614
Energy: 0.629183601412734
Energy: 0.7787479452969179
Energy: 0.6291836014133241
Energy: 0.7787479452975081
Energy: 0.629183601412734
Energy: 0.7787479452969179
Energy: 0.7297254397148908
Energy: 0.7788876753982847
Energy: 0.7297254397131204
Energy: 0.7788876753982847
Energy: 0.7297254397160711
Energy: 0.7788876753988748
Energy: 0.6336760319086376
Energy: 0.6737543671977172
Energy: 0.6336760319092277
Energy: 0.6737543671977172
Energy: 0.6336760319086376
Energy: 0.6737543671971271
Energy: 0.7297679586535094
Energy: 0.778883322570885
Energy: 0.7297679586564602
Energy: 0.7788833225720653
Energy: 0.7297679586529192
Energy: 0.7788833225714751
Energy: 0.6291889000456509
Energy: 0.7787666894937094
Energy: 0.6291889000450608
Energy: 0.7787666894942996
Energy: 0.6291889000450608
Energy: 0.7787666894931192
Energy: 0.6700356048033961
Energy: 0.6291506352141563
Energy: 0.6700356048033961
Energy: 0.6291506352141563
Energy: 0.6700356048045764
Energy: 0.6291506352141563
Energy: 0.6361364624678031
Energy: 0.6325186918963652
Energy: 0.636136462463082
Energy: 0.6325186918957751
Energy: 0.6361364624636721
Energy: 0.6325186918963652
Energy: 0.6360846739572279
Energy: 0.6322997758659382
Energy: 0.6360846739530969
Energy: 0.6322997758671185
Energy: 0.6360846739530969
Energy: 0.6322997758677087
Energy: 0.6699954810076958
Energy: 0.6291283920240238
Energy: 0.6699954810094662
Energy: 0.6291283920240238
Energy: 0.669995481004745
Energy: 0.629128392024614
Energy: 0.6291836014121438
Energy: 0.7787479452992786
Energy: 0.6291836014121438
Energy: 0.7787479452975081
Energy: 0.629183601412734
Energy: 0.7787479452957378
Energy: 0.7297254397148908
Energy: 0.7788876753982847
Energy: 0.7297254397178415
Energy: 0.7788876753982847
Energy: 0.7297254397172515
Energy: 0.7788876753982847
Energy: 0.6336760319086376
Energy: 0.6737543671971271
Energy: 0.6336760319092277
Energy: 0.6737543671971271
Energy: 0.6336760319092277
Energy: 0.6737543671971271
Energy: 0.72976795865587
Energy: 0.7788833225714751
Energy: 0.7297679586535094
Energy: 0.7788833225714751
Energy: 0.7297679586523291
Energy: 0.7788833225726552
Energy: 0.6291889000450608
Energy: 0.7787666894913488
Energy: 0.6291889000456509
Energy: 0.778766689491939
Energy: 0.6291889000450608
Energy: 0.7787666894931192

minimum gb energy = 0.6291283920240238 eV
minimum distance =  2.32200820171566 Angstroms
sigma value = 27


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

Energy: 0.6223810953782334
Energy: 0.6168206858500875
Energy: 0.6223810953796789
Energy: 0.6168206858500875
Energy: 0.6223810953796789
Energy: 0.6168206858500875
Energy: 0.7269409444929077
Energy: 0.6355985438894938
Energy: 0.7269409444929077
Energy: 0.6355985438866026
Energy: 0.7269409444929077
Energy: 0.6355985438880482
Energy: 0.6459007179099787
Energy: 0.686379559441102
Energy: 0.6459007179099787
Energy: 0.6863795594396563
Energy: 0.6459007179099787
Energy: 0.686379559443993
Energy: 0.7018066339230945
Energy: 0.602251356697303
Energy: 0.70180663392454
Energy: 0.602251356697303
Energy: 0.7018066339230945
Energy: 0.602251356697303
Energy: 0.7588530731240648
Energy: 0.5973382154376776
Energy: 0.7588530731240648
Energy: 0.5973382154405688
Energy: 0.7588530731240648
Energy: 0.5973382154391232
Energy: 0.7250428767740148
Energy: 0.7402623051388854
Energy: 0.7250428767754604
Energy: 0.7402623051388854
Energy: 0.7250428767754604
Energy: 0.740262305140331
Energy: 0.6854705216078572
Energy: 0.6369370718408134
Energy: 0.6854705216064118
Energy: 0.6369370718408134
Energy: 0.6854705216078572
Energy: 0.6369370718408134
Energy: 0.6186116256835539
Energy: 0.6201703619114372
Energy: 0.6186116256835539
Energy: 0.6201703619114372
Energy: 0.6186116256835539
Energy: 0.6201703619099915
Energy: 0.6834170372959872
Energy: 0.6443536507967721
Energy: 0.6834170372930962
Energy: 0.6443536508300195
Energy: 0.6834170372930962
Energy: 0.644353650793881
Energy: 0.6894448420868045
Energy: 0.7196801811574963
Energy: 0.6894448420868045
Energy: 0.7196801811603873
Energy: 0.6894448420868045
Energy: 0.7196801811574963
Energy: 0.6427329665666601
Energy: 0.5973687336523543
Energy: 0.6427329665681057
Energy: 0.5973687336523543
Energy: 0.6427329665666601
Energy: 0.5973687336523543
Energy: 0.75795935608263
Energy: 0.6832585621848859
Energy: 0.7579593560840756
Energy: 0.6832585621891897
Energy: 0.75795935608263
Energy: 0.6832585621891897

minimum gb energy = 0.5973382154376776 eV
minimum distance =  2.2821915998958 Angstroms
sigma value = 9


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

Energy: 0.620105803051186
Energy: 0.5784014243988743
Energy: 0.6201058030495614
Energy: 0.5784014243992806
Energy: 0.620105803051186
Energy: 0.5784014243992806
Energy: 0.5808667181793084
Energy: 0.5478626097683975
Energy: 0.5808667181780899
Energy: 0.5478626097683975
Energy: 0.5808667181740285
Energy: 0.5478626097688037
Energy: 0.5556477411167472
Energy: 0.5987683739115028
Energy: 0.5556477411159348
Energy: 0.5987683739119091
Energy: 0.5556477411147164
Energy: 0.5987683739119091
Energy: 0.5649147968071067
Energy: 0.5443061691820353
Energy: 0.5649147968075129
Energy: 0.5443061691820353
Energy: 0.5649147968058882
Energy: 0.5443061691824415
Energy: 0.610395154089121
Energy: 0.577911110899055
Energy: 0.6103951540870902
Energy: 0.577911110899055
Energy: 0.6103951540907456
Energy: 0.5779111108994611
Energy: 0.6045454750187526
Energy: 0.5973508198629582
Energy: 0.6045454750187526
Energy: 0.5973508198653953
Energy: 0.6045454750207834
Energy: 0.5973508198633644
Energy: 0.5726405113018004
Energy: 0.6369552021618572
Energy: 0.572640511300988
Energy: 0.6369552021622634
Energy: 0.5726405113022065
Energy: 0.6369552021622634
Energy: 0.5301423054494221
Energy: 0.5944696887127413
Energy: 0.5301423054490159
Energy: 0.5944696887131475
Energy: 0.5301423054494221
Energy: 0.5944696887131475
Energy: 0.6111015069400102
Energy: 0.5781524562397287
Energy: 0.6111015069379794
Energy: 0.5781524562397287
Energy: 0.611101506939604
Energy: 0.5781524562397287
Energy: 0.6065914295925869
Energy: 0.5607804630911679
Energy: 0.6065914295905562
Energy: 0.5607804630850756
Energy: 0.6065914295917747
Energy: 0.5607804630919803
Energy: 0.5647669841916062
Energy: 0.5400994278967439
Energy: 0.5647669841920124
Energy: 0.5400994278967439
Energy: 0.5647669841920124
Energy: 0.5400994278967439
Energy: 0.5812345084229489
Energy: 0.5897425579055371
Energy: 0.5812345084229489
Energy: 0.5897425579059433
Energy: 0.5812345084221365
Energy: 0.5897425579043186
Energy: 0.5836719393774368
Energy: 0.5985150800278928
Energy: 0.5836719393733752
Energy: 0.5985150800291112
Energy: 0.5836719393786552
Energy: 0.598515080028705
Energy: 0.6176566548158736
Energy: 0.6046465220745755
Energy: 0.6176566548162797
Energy: 0.6046465220749817
Energy: 0.6176566548154674
Energy: 0.6046465220729509
Energy: 0.5501497488220665
Energy: 0.6102263669255863
Energy: 0.5501497488228787
Energy: 0.6102263669243679
Energy: 0.5501497488192233
Energy: 0.610226366924774
Energy: 0.5570138961972565
Energy: 0.6136896317657128
Energy: 0.5570138961956318
Energy: 0.6136896317632757
Energy: 0.5570138961940072
Energy: 0.6136896317653066
Energy: 0.6780800208411543
Energy: 0.5365889906547007
Energy: 0.6780800208403419
Energy: 0.5365889906518575
Energy: 0.6780800208423727
Energy: 0.5365889906213952
Energy: 0.559320714722684
Energy: 0.5819238023105069
Energy: 0.5593207147234963
Energy: 0.5819238023105069
Energy: 0.5593207147243087
Energy: 0.5819238023101007
Energy: 0.5342916082921141
Energy: 0.609295853644031
Energy: 0.5342916082901201
Energy: 0.6092958536529665
Energy: 0.5342916082917079
Energy: 0.6092958536424063
Energy: 0.6444383567622939
Energy: 0.6039059218850071
Energy: 0.6444383567606692
Energy: 0.6039059218939057
Energy: 0.6444383567643246
Energy: 0.6039059218939057
Energy: 0.534289237820877
Energy: 0.6098187174344185
Energy: 0.5342892378229078
Energy: 0.609818717430763
Energy: 0.534289237820877
Energy: 0.6098187174396985
Energy: 0.5606845381829404
Energy: 0.5817937732801169
Energy: 0.5606845381825343
Energy: 0.5817937732797107
Energy: 0.5606845381817219
Energy: 0.5817937732797107
Energy: 0.6780135482253097
Energy: 0.5365606931277993
Energy: 0.678013548226122
Energy: 0.5365606931066789
Energy: 0.6780135482265282
Energy: 0.5365606931330793
Energy: 0.5570375967903648
Energy: 0.6138267020180467
Energy: 0.5570375967919895
Energy: 0.6138267020160159
Energy: 0.5570375967867095
Energy: 0.61382670202089
Energy: 0.5501217046304311
Energy: 0.6107667057680899
Energy: 0.5501217046312433
Energy: 0.6107667057676837
Energy: 0.5501217046316496
Energy: 0.6107667057676837
Energy: 0.6176085852281012
Energy: 0.6046178555761642
Energy: 0.6176085852281012
Energy: 0.6046178555761642
Energy: 0.6176085852272889
Energy: 0.6046178555761642
Energy: 0.5837886897857605
Energy: 0.5985869103525998
Energy: 0.5837886897849482
Energy: 0.5985869103538183
Energy: 0.5837886897829174
Energy: 0.5985869103546306
Energy: 0.5811673263063449
Energy: 0.589434197738428
Energy: 0.5811673263059388
Energy: 0.5894341977355848
Energy: 0.5811673263063449
Energy: 0.5894341977376156
Energy: 0.5647752405040806
Energy: 0.5401150516133528
Energy: 0.5647752405065175
Energy: 0.5401150516133528
Energy: 0.5647752405048929
Energy: 0.5401150516133528
Energy: 0.6066463357324928
Energy: 0.5604951407096124
Energy: 0.6066463357345236
Energy: 0.5604951406978337
Energy: 0.606646335732899
Energy: 0.5604951407096124
Energy: 0.6112870702295612
Energy: 0.578213280022649
Energy: 0.6112870702328105
Energy: 0.578213280022649
Energy: 0.6112870702307797
Energy: 0.5782132800230553
Energy: 0.5301553808754194
Energy: 0.5944554388650701
Energy: 0.5301553808778563
Energy: 0.5944554388650701
Energy: 0.5301553808766378
Energy: 0.5944554388650701
Energy: 0.5729214176555871
Energy: 0.6369267019256911
Energy: 0.5729214176584302
Energy: 0.6369267019260972
Energy: 0.5729214176551809
Energy: 0.6369267019265034
Energy: 0.6046132892108919
Energy: 0.603961561365965
Energy: 0.6046132892145474
Energy: 0.6039615613631218
Energy: 0.6046132892125166
Energy: 0.6039615613545923
Energy: 0.6103928615229703
Energy: 0.5778782145339391
Energy: 0.6103928615237826
Energy: 0.5778782145335329
Energy: 0.6103928615217519
Energy: 0.5778782145339391
Energy: 0.56489480490205
Energy: 0.5392174717220867
Energy: 0.5648948049028624
Energy: 0.5392174717261482
Energy: 0.56489480490205
Energy: 0.5392174717216804
Energy: 0.5556134468684895
Energy: 0.5987606420901573
Energy: 0.5556134468656463
Energy: 0.5987606420897511
Energy: 0.555613446867271
Energy: 0.5987606420901573
Energy: 0.5808650103816295
Energy: 0.5478306338746489
Energy: 0.5808650103791926
Energy: 0.5478306338746489
Energy: 0.580865010385285
Energy: 0.5478306338746489
Energy: 0.6201058030528107
Energy: 0.5784014244009053
Energy: 0.620105803053623
Energy: 0.5784014244009053
Energy: 0.6201058030528107
Energy: 0.5784014244013114
Energy: 0.5808667181740285
Energy: 0.547862609769616
Energy: 0.5808667181703729
Energy: 0.5478626097692099
Energy: 0.5808667181699667
Energy: 0.5478626097692099
Energy: 0.5556477411126854
Energy: 0.5987683739135337
Energy: 0.5556477411130917
Energy: 0.5987683739131275
Energy: 0.5556477411122793
Energy: 0.5987683739123152
Energy: 0.5649147968038573
Energy: 0.5443061691783798
Energy: 0.5649147968046696
Energy: 0.5443061691783798
Energy: 0.5649147968046696
Energy: 0.5443061691783798
Energy: 0.6103951540903395
Energy: 0.5779111108970242
Energy: 0.6103951540883086
Energy: 0.5779111108974304
Energy: 0.6103951540907456
Energy: 0.5779111108966181

minimum gb energy = 0.5301423054490159 eV
minimum distance =  2.3802733110805 Angstroms
sigma value = 57


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

Energy: 0.7561208615388311
Energy: 0.5339930408716623
Energy: 0.7561208615379065
Energy: 0.5339930408716623
Energy: 0.7561208615379065
Energy: 0.5339930408716623
Energy: 0.32693343223631516
Energy: 0.5107651976942591
Energy: 0.32693343223631516
Energy: 0.5107651976933346
Energy: 0.32693343223631516
Energy: 0.5107651976942591
Energy: 0.5355995341627956
Energy: 0.5157603146018933
Energy: 0.5355995341618711
Energy: 0.5157603146018933
Energy: 0.5355995341618711
Energy: 0.5157603146018933
Energy: 0.4828583563953887
Energy: 0.5055995396155406
Energy: 0.48285835639446417
Energy: 0.505599539614616
Energy: 0.48285835639446417
Energy: 0.505599539614616
Energy: 0.3097308888472037
Energy: 0.3276918700172335
Energy: 0.3097308888472037
Energy: 0.3276918700172335
Energy: 0.3097308888472037
Energy: 0.3276918700172335
Energy: 0.2595612249939667
Energy: 0.5331652016167753
Energy: 0.2595612249930422
Energy: 0.5331652016176998
Energy: 0.2595612249930422
Energy: 0.5331652016176998
Energy: 0.25953351327228624
Energy: 0.5101341238309418
Energy: 0.25953351327321084
Energy: 0.5101341238309418
Energy: 0.25953351327228624
Energy: 0.5101341238309418
Energy: 0.32975404625518967
Energy: 0.31452545320663006
Energy: 0.3297540462561142
Energy: 0.31452545320663006
Energy: 0.32975404625518967
Energy: 0.31452545320663006
Energy: 0.4793364059126221
Energy: 0.5056927439716977
Energy: 0.479336405910773
Energy: 0.5056927439716977
Energy: 0.4793364059116975
Energy: 0.5056927439726223
Energy: 0.48474246468279275
Energy: 0.6403420445103885
Energy: 0.4847424646818682
Energy: 0.6403420445103885
Energy: 0.4847424646818682
Energy: 0.6403420445122375
Energy: 0.3098973818880958
Energy: 0.5100621928136039
Energy: 0.3098973818899449
Energy: 0.5100621928145284
Energy: 0.3098973818880958
Energy: 0.5100621928136039
Energy: 0.7561208615360573
Energy: 0.5339930408642657
Energy: 0.7561208615369819
Energy: 0.5339930408651904
Energy: 0.7561208615369819
Energy: 0.5339930408651904
Energy: 0.3269334322316923
Energy: 0.5107651976951837
Energy: 0.32693343223354143
Energy: 0.5107651976914854
Energy: 0.32693343223261695
Energy: 0.5107651976942591
Energy: 0.5355995341600219
Energy: 0.5157603146018933
Energy: 0.5355995341590974
Energy: 0.5157603146018933
Energy: 0.5355995341590974
Energy: 0.5157603146018933
Energy: 0.48285835639261504
Energy: 0.505599539614616
Energy: 0.48285835639169045
Energy: 0.505599539614616
Energy: 0.48285835639261504
Energy: 0.505599539614616
Energy: 0.30973088884442995
Energy: 0.32769187001815814
Energy: 0.30973088884442995
Energy: 0.32769187001815814
Energy: 0.30973088884350536
Energy: 0.32769187001815814
Energy: 0.2595612249930422
Energy: 0.5331652016176998
Energy: 0.2595612249921176
Energy: 0.5331652016158926
Energy: 0.2595612249930422
Energy: 0.5331652016167753
Energy: 0.2595335132695125
Energy: 0.51013412383464
Energy: 0.2595335132704371
Energy: 0.51013412383464
Energy: 0.2595335132695125
Energy: 0.51013412383464
Energy: 0.3297540462533405
Energy: 0.31452545320663006
Energy: 0.32975404625426513
Energy: 0.31452545320755465
Energy: 0.32975404625426513
Energy: 0.31452545320663006

minimum gb energy = 0.2595335132695125 eV
minimum distance =  2.46411291329707 Angstroms
sigma value = 11


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

Energy: 0.4942864779370693
Energy: 0.6146695139676538
Energy: 0.49428647793503755
Energy: 0.6146695139669767
Energy: 0.4942864779363921
Energy: 0.6146695139683311
Energy: 0.48878271050029626
Energy: 0.5292898361000911
Energy: 0.4887827105009735
Energy: 0.5292898361000911
Energy: 0.48878271050029626
Energy: 0.5292898361000911
Energy: 0.5362643908481747
Energy: 0.6847084356146435
Energy: 0.5362643908468201
Energy: 0.6847084356153208
Energy: 0.5362643908488519
Energy: 0.684708435615998
Energy: 0.6297689151680369
Energy: 0.45241683043472875
Energy: 0.6297689151680369
Energy: 0.45241683043405145
Energy: 0.6297689151693914
Energy: 0.45241683043472875
Energy: 0.6030590307788253
Energy: 0.434071054713402
Energy: 0.6030590307788253
Energy: 0.43407105471407925
Energy: 0.6030590307795026
Energy: 0.434071054713402
Energy: 0.5521972906598229
Energy: 0.45583430797445584
Energy: 0.5521972906584685
Energy: 0.45583430797716484
Energy: 0.5521972906584685
Energy: 0.45583430797716484
Energy: 0.43091319305081016
Energy: 0.47809188944425096
Energy: 0.4309131930514874
Energy: 0.47809188944560543
Energy: 0.43091319305081016
Energy: 0.47809188944492814
Energy: 0.5426752270221524
Energy: 0.4167951696530697
Energy: 0.5426752270201206
Energy: 0.4167951696530697
Energy: 0.5426752270221524
Energy: 0.4167951696530697
Energy: 0.5434457523286766
Energy: 0.4196251815192975
Energy: 0.5434457523300312
Energy: 0.4196251815192975
Energy: 0.5434457523273222
Energy: 0.4196251815192975
Energy: 0.4211753623091214
Energy: 0.6480652569399218
Energy: 0.4211753623084441
Energy: 0.6480652569426308
Energy: 0.4211753623091214
Energy: 0.6480652569405991
Energy: 0.604280288029003
Energy: 0.5995302264037151
Energy: 0.6042802880296803
Energy: 0.5995302264030378
Energy: 0.6042802880303575
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Energy: 0.6045871376639388
Energy: 0.43529767790916585
Energy: 0.6045871376625843
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Energy: 0.6045871376632616
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Energy: 0.6274757636962239
Energy: 0.45624092881172085
Energy: 0.6274757636962239
Energy: 0.45624092881104367
Energy: 0.6274757636975784
Energy: 0.45624092881104367
Energy: 0.6179931019201749
Energy: 0.6730383995633565
Energy: 0.6179931019208521
Energy: 0.6730383995640338
Energy: 0.6179931019194975
Energy: 0.6730383995647111
Energy: 0.5056894804676553
Energy: 0.5296284180682009
Energy: 0.5056894804635916
Energy: 0.5296284180675237
Energy: 0.5056894804642689
Energy: 0.5296284180682009
Energy: 0.4733233974136504
Energy: 0.6155815542976735
Energy: 0.47332339741432766
Energy: 0.6155815542976735
Energy: 0.4733233974136504
Energy: 0.6155815542983507
Energy: 0.45736655743779076
Energy: 0.5289599856379122
Energy: 0.4573665574371751
Energy: 0.5289599856379122
Energy: 0.45736655743779076
Energy: 0.5289599856385896
Energy: 0.6887372072510771
Energy: 0.5038536150892742
Energy: 0.6887372072483681
Energy: 0.5038536150885969
Energy: 0.6887372072497224
Energy: 0.5038536150858878
Energy: 0.5647635153082202
Energy: 0.44977613736031935
Energy: 0.5647635153075429
Energy: 0.44977613736031935
Energy: 0.5647635153075429
Energy: 0.44977613736031935
Energy: 0.6042052407141405
Energy: 0.4551745544618806
Energy: 0.6042052407107542
Energy: 0.45517455445984883
Energy: 0.6042052407134633
Energy: 0.45517455446052607
Energy: 0.4215642206747435
Energy: 0.4657782223709762
Energy: 0.42156422067338895
Energy: 0.4657782223709762
Energy: 0.42156422067406624
Energy: 0.4657782223716534
Energy: 0.45840435390142154
Energy: 0.47697104181112354
Energy: 0.45840435390074424
Energy: 0.4769710418118008
Energy: 0.45840435390074424
Energy: 0.4769710418104463
Energy: 0.5430033277615035
Energy: 0.5369542315825674
Energy: 0.5430033277594717
Energy: 0.5369542315832446
Energy: 0.5430033277642126
Energy: 0.5369542315832446
Energy: 0.5453273610861512
Energy: 0.5175320283670882
Energy: 0.545327361088183
Energy: 0.5175320283670882
Energy: 0.545327361085474
Energy: 0.5175320283670882
Energy: 0.4216365988507089
Energy: 0.4803160282534041
Energy: 0.4216365988500315
Energy: 0.48031602824866315
Energy: 0.421636598848677
Energy: 0.4803160282500177
Energy: 0.85216085958457
Energy: 0.5995423947338591
Energy: 0.8521608595859246
Energy: 0.5995423947331818
Energy: 0.8521608595859246
Energy: 0.5995423947338591

minimum gb energy = 0.4167951696530697 eV
minimum distance =  2.37001932836057 Angstroms
sigma value = 41


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

Energy: 0.5495592249838047
Energy: 0.46956323901789954
Energy: 0.5495592249822034
Energy: 0.46956323901789954
Energy: 0.5495592249832709
Energy: 0.4695632390184334
Energy: 0.5282472826966487
Energy: 0.6334764688215585
Energy: 0.5282472826966487
Energy: 0.6334764688215585
Energy: 0.5282472826971824
Energy: 0.6334764688215585
Energy: 0.5841534311111528
Energy: 0.5739974403073074
Energy: 0.5841534311100851
Energy: 0.5739974403078412
Energy: 0.5841534311116866
Energy: 0.5739974403073074
Energy: 0.5060466349388282
Energy: 0.4625709527292443
Energy: 0.5060466349393621
Energy: 0.4625709527292443
Energy: 0.5060466349388282
Energy: 0.4625709527292443
Energy: 0.4627607393080441
Energy: 0.4867097613986525
Energy: 0.4627607393075103
Energy: 0.48670976139918637
Energy: 0.4627607393075103
Energy: 0.48670976139918637
Energy: 0.6483193681743583
Energy: 0.508581273808108
Energy: 0.6483193681759596
Energy: 0.5085812738075743
Energy: 0.6483193681738244
Energy: 0.5085812738075743
Energy: 0.4721092315413899
Energy: 0.6940285267270403
Energy: 0.4721092315413899
Energy: 0.6940285267275741
Energy: 0.4721092315419237
Energy: 0.6940285267270403
Energy: 0.46622689766786796
Energy: 0.4626977342511834
Energy: 0.4662268976673342
Energy: 0.46269773425064964
Energy: 0.46622689766786796
Energy: 0.4626977342511834
Energy: 0.46998049763930955
Energy: 0.48347993374917464
Energy: 0.4699804976414448
Energy: 0.48347993374970843
Energy: 0.469980497638242
Energy: 0.48347993374970843
Energy: 0.505823064105634
Energy: 0.5339039233594652
Energy: 0.5058230641040327
Energy: 0.5339039233589313
Energy: 0.5058230641045663
Energy: 0.5339039233594652
Energy: 0.5022177203391558
Energy: 0.5357203126142185
Energy: 0.5022177203396896
Energy: 0.5357203126142185
Energy: 0.5022177203386219
Energy: 0.5357203126142185
Energy: 0.4621120242768745
Energy: 0.6252532020646699
Energy: 0.4621120242763407
Energy: 0.6252532020646699
Energy: 0.4621120242763407
Energy: 0.6252532020646699
Energy: 0.47368615214450693
Energy: 0.46896127061835824
Energy: 0.47368615214290555
Energy: 0.4689612706188678
Energy: 0.47368615214397314
Energy: 0.46896127061782433
Energy: 0.4458644189082746
Energy: 0.5167348602011952
Energy: 0.4458644189082746
Energy: 0.5167348602022628
Energy: 0.4458644189088084
Energy: 0.5167348602011952
Energy: 0.5067489284385455
Energy: 0.5055104724915744
Energy: 0.5067489284332074
Energy: 0.5055104724915744
Energy: 0.5067489284353426
Energy: 0.5055104724915744
Energy: 0.4538718110939186
Energy: 0.4894936484089739
Energy: 0.4538718110949863
Energy: 0.4894936484084401
Energy: 0.4538718110923172
Energy: 0.48949364840950765
Energy: 0.4808310698863772
Energy: 0.46885870139194313
Energy: 0.48083106988424196
Energy: 0.46885870139194313
Energy: 0.480831069886911
Energy: 0.4688587013914093
Energy: 0.5057382856624444
Energy: 0.5744231687002691
Energy: 0.5057382856635119
Energy: 0.5744231686997354
Energy: 0.5057382856635119
Energy: 0.5744231687008029
Energy: 0.5182955930638263
Energy: 0.49780503113283286
Energy: 0.5182955930654278
Energy: 0.49780503113283286
Energy: 0.5182955930638263
Energy: 0.4978050311333666
Energy: 0.5015545982612823
Energy: 0.7565564543777464
Energy: 0.5015545982607484
Energy: 0.7565564543777464
Energy: 0.5015545982602148
Energy: 0.7565564543777464
Energy: 0.48026061953696575
Energy: 0.6339168851436471
Energy: 0.48026061953696575
Energy: 0.6339168851436471
Energy: 0.48026061953696575
Energy: 0.6339168851447147
Energy: 0.503329826184007
Energy: 0.5653698081018017
Energy: 0.503329826184007
Energy: 0.5653698080964638
Energy: 0.503329826184007
Energy: 0.5653698081012679
Energy: 0.5086064443549378
Energy: 0.46007995358052645
Energy: 0.5086064443544039
Energy: 0.4600799535810603
Energy: 0.5086064443538701
Energy: 0.4600799535810603
Energy: 0.454343367949204
Energy: 0.6486660597224511
Energy: 0.45434336794973784
Energy: 0.6486660597235188
Energy: 0.45434336794973784
Energy: 0.648666059722985
Energy: 0.44893162069837944
Energy: 0.6953884572971281
Energy: 0.44893162069837944
Energy: 0.695388457297662
Energy: 0.44893162069837944
Energy: 0.6953884572981959
Energy: 0.47058480308365935
Energy: 0.529849645179932
Energy: 0.47058480308312556
Energy: 0.5298496451815334
Energy: 0.4705848030857946
Energy: 0.5298496451815334
Energy: 0.46215168641575954
Energy: 0.4601070037592708
Energy: 0.46215168641682713
Energy: 0.4601070037592708
Energy: 0.4621516864162933
Energy: 0.4601070037592708
Energy: 0.4685843163915378
Energy: 0.7512880601946613
Energy: 0.4685843163915378
Energy: 0.7512880601946613
Energy: 0.46858431639047016
Energy: 0.7512880601946613
Energy: 0.5020682838927483
Energy: 0.49788871374063176
Energy: 0.5020682838900792
Energy: 0.4978887137395642
Energy: 0.5020682838922144
Energy: 0.49788871373796284
Energy: 0.549431140160894
Energy: 0.4592179610432953
Energy: 0.5494311401603602
Energy: 0.4592179610432953
Energy: 0.5494311401619616
Energy: 0.4592179610432953
Energy: 0.4568458977454579
Energy: 0.4764309000879352
Energy: 0.4568458977470594
Energy: 0.476430900091138
Energy: 0.4568458977449242
Energy: 0.4764309000964517
Energy: 0.47191071066518125
Energy: 0.47677982305266087
Energy: 0.471910710665715
Energy: 0.47677982305266087
Energy: 0.4719107106646474
Energy: 0.47677982305266087
Energy: 0.44840605088512325
Energy: 0.4890960092832127
Energy: 0.4484060508845894
Energy: 0.4890960092826789
Energy: 0.44840605088405555
Energy: 0.4890960092837464

minimum gb energy = 0.4458644189082746 eV
minimum distance =  2.39953637852107 Angstroms
sigma value = 33


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

Energy: 0.5411539891778565
Energy: 0.5046022583692255
Energy: 0.541153989177516
Energy: 0.5046022583696002
Energy: 0.541153989177516
Energy: 0.5046022583692255
Energy: 0.5590382046425969
Energy: 0.5028814019019222
Energy: 0.5590382046377267
Energy: 0.502881401901173
Energy: 0.5590382046452192
Energy: 0.5028814019019222
Energy: 0.5218867291442093
Energy: 0.5816475560067332
Energy: 0.5218867291442093
Energy: 0.5816475560074825
Energy: 0.5218867291438348
Energy: 0.5816475560116035
Energy: 0.5263205584078209
Energy: 0.4937853330179338
Energy: 0.5263205584059476
Energy: 0.49378533301755917
Energy: 0.5263205584078209
Energy: 0.4937853330183084
Energy: 0.5067139219142447
Energy: 0.5679657257903137
Energy: 0.5067139219168669
Energy: 0.5679657257873166
Energy: 0.5067139219157432
Energy: 0.5679657257880658
Energy: 0.5277999987647344
Energy: 0.506641976371878
Energy: 0.5277999987898344
Energy: 0.5066419763707541
Energy: 0.5277999987568672
Energy: 0.5066419763715034
Energy: 0.5230541425425743
Energy: 0.5629055311146949
Energy: 0.5230541425440727
Energy: 0.5629055311146949
Energy: 0.5230541425425743
Energy: 0.5629055311143203
Energy: 0.540190641625027
Energy: 0.5689320123036848
Energy: 0.5401906416261508
Energy: 0.5689320123036848
Energy: 0.5401906416261508
Energy: 0.5689320123040595
Energy: 0.6013879931008527
Energy: 0.5170525415644003
Energy: 0.6013879931008527
Energy: 0.5170525415647749
Energy: 0.601387993101602
Energy: 0.5170525415647749
Energy: 0.6297877992399704
Energy: 0.5163708787944363
Energy: 0.629787799244466
Energy: 0.5163708787940617
Energy: 0.6297877992407196
Energy: 0.5163708787940617
Energy: 0.5345239568536478
Energy: 0.534434961161156
Energy: 0.5345239568536478
Energy: 0.534434961161156
Energy: 0.5345239568558956
Energy: 0.5344349611600321
Energy: 0.5383637836764604
Energy: 0.4938499879514651
Energy: 0.5383637836745874
Energy: 0.4938499879510905
Energy: 0.5383637836753365
Energy: 0.4938499879514651
Energy: 0.5195695687050988
Energy: 0.6023142132832435
Energy: 0.519569568703975
Energy: 0.6023142132869898
Energy: 0.5195695687043496
Energy: 0.6023142132862406
Energy: 0.562793160822274
Energy: 0.5364452650870045
Energy: 0.5627931608207754
Energy: 0.5364452650858808
Energy: 0.562793160822274
Energy: 0.53644526508663
Energy: 0.5560026895142715
Energy: 0.5224396002965096
Energy: 0.5560026895120238
Energy: 0.522439600296135
Energy: 0.5560026895120238
Energy: 0.522439600296135
Energy: 0.5098930522009486
Energy: 0.5286325901369954
Energy: 0.5098930522024472
Energy: 0.5286325901268804
Energy: 0.5098930522024472
Energy: 0.5286325901295028
Energy: 0.5526298940046568
Energy: 0.5035513975153396
Energy: 0.552629894008403
Energy: 0.5035513975157142
Energy: 0.5526298940203571
Energy: 0.503551397514965
Energy: 0.49158637584839354
Energy: 0.5282226039841909
Energy: 0.49158637584876813
Energy: 0.5282226039838162
Energy: 0.49158637584876813
Energy: 0.5282226039845654
Energy: 0.5841537911120785
Energy: 0.522025885241008
Energy: 0.5841537911139517
Energy: 0.5220258852387603
Energy: 0.5841537911124531
Energy: 0.5220258852395094
Energy: 0.5195544730543602
Energy: 0.5299346543046183
Energy: 0.519554473053611
Energy: 0.5299346543042438
Energy: 0.5195544730573574
Energy: 0.5299346543046183
Energy: 0.5025437643613292
Energy: 0.5385077726271985
Energy: 0.5025437643617037
Energy: 0.5385077726268238
Energy: 0.5025437643624528
Energy: 0.5385077726271985
Energy: 0.500076148620312
Energy: 0.5604406535670793
Energy: 0.5000761486210613
Energy: 0.5604406535667046
Energy: 0.5000761486218106
Energy: 0.5604406535674539
Energy: 0.5557664660865845
Energy: 0.49900107116044023
Energy: 0.5557664660847114
Energy: 0.49900107116006553
Energy: 0.5557664660869592
Energy: 0.49900107116044023
Energy: 0.49730972878913443
Energy: 0.5600255570665731
Energy: 0.49730972878913443
Energy: 0.5600255570676971
Energy: 0.4973097287883851
Energy: 0.5600255570669478
Energy: 0.5671922756706743
Energy: 0.5033698515794341
Energy: 0.5671922756706743
Energy: 0.5033698515798087
Energy: 0.5671922756732967
Energy: 0.5033698515794341
Energy: 0.5052065361081798
Energy: 0.5589711937571354
Energy: 0.5052065361070558
Energy: 0.5589711937563862
Energy: 0.5052065361104275
Energy: 0.5589711937567607
Energy: 0.557638664385555
Energy: 0.5242717119554281
Energy: 0.557638664385555
Energy: 0.5242717119550535
Energy: 0.5576386643859297
Energy: 0.5242717119558027
Energy: 0.5305506801995729
Energy: 0.49804061873955263
Energy: 0.5305506801976998
Energy: 0.498040618739178
Energy: 0.5305506801991983
Energy: 0.498040618739178
Energy: 0.5185489372083807
Energy: 0.6024168437737059
Energy: 0.51854893720913
Energy: 0.6024168437733313
Energy: 0.5185489372087554
Energy: 0.6024168437729566
Energy: 0.5145057469530779
Energy: 0.6303667532460807
Energy: 0.5145057469527033
Energy: 0.6303667532449568
Energy: 0.5145057469512049
Energy: 0.6303667532442077
Energy: 0.5251967602632599
Energy: 0.49086725369692535
Energy: 0.5251967602640092
Energy: 0.4908672536965507
Energy: 0.5251967602643838
Energy: 0.49086725369692535
Energy: 0.4974736646036853
Energy: 0.5559829064340239
Energy: 0.49747366460331066
Energy: 0.5559829064329
Energy: 0.497473664602936
Energy: 0.5559829064347732
Energy: 0.5331739062811902
Energy: 0.5153793620823391
Energy: 0.5331739062669544
Energy: 0.5153793620819647
Energy: 0.533173906260211
Energy: 0.5153793620823391
Energy: 0.5345220808323693
Energy: 0.5593466018331804
Energy: 0.5345220808319947
Energy: 0.5593466018328057
Energy: 0.5345220808319947
Energy: 0.5593466018339297
Energy: 0.5344809539604235
Energy: 0.5592498355410228
Energy: 0.5344809539592996
Energy: 0.5592498355406482
Energy: 0.5344809539600489
Energy: 0.5592498355402736
Energy: 0.7826896177132032
Energy: 0.5153820968720787
Energy: 0.7826896177139526
Energy: 0.5153820968717041
Energy: 0.7826896177135779
Energy: 0.5153820968724533
Energy: 0.49748406090130254
Energy: 0.5536745476581784
Energy: 0.4974840609005533
Energy: 0.5536745476537169
Energy: 0.49748406090017866
Energy: 0.5536745476578038
Energy: 0.5256108968490613
Energy: 0.49082444781302026
Energy: 0.5256108968498104
Energy: 0.49082444781302026
Energy: 0.5256108968494358
Energy: 0.49082444781302026
Energy: 0.5144546860320175
Energy: 0.6302085549728152
Energy: 0.5144546860327667
Energy: 0.6302085549795586
Energy: 0.5144546860308936
Energy: 0.6302085549709421
Energy: 0.5185366198935121
Energy: 0.6019211433503209
Energy: 0.5185366198927628
Energy: 0.601921143355191
Energy: 0.5185366198931374
Energy: 0.6019211433506955
Energy: 0.5305088500182684
Energy: 0.4981681432862145
Energy: 0.5305088500178938
Energy: 0.49816814328658915
Energy: 0.5305088500178938
Energy: 0.4981681432862145
Energy: 0.5576925976910351
Energy: 0.5247613656429504
Energy: 0.5576925976910351
Energy: 0.5247613656436996
Energy: 0.5576925976914098
Energy: 0.524761365643325
Energy: 0.5051797766931815
Energy: 0.5592110183970049
Energy: 0.5051797766943052
Energy: 0.5592110183977541
Energy: 0.5051797766928068
Energy: 0.5592110183996273
Energy: 0.5670951559571448
Energy: 0.5033656440927694
Energy: 0.5670951559515255
Energy: 0.503365644093144
Energy: 0.5670951559504016
Energy: 0.503365644093144
Energy: 0.4972906320046024
Energy: 0.5600484450806599
Energy: 0.4972906320053516
Energy: 0.5600484450799107
Energy: 0.4972906320038531
Energy: 0.5600484450802854
Energy: 0.5557479762520564
Energy: 0.4989416066129743
Energy: 0.5557479762505579
Energy: 0.498941606613349
Energy: 0.5557479762520564
Energy: 0.4989416066140982
Energy: 0.5000886178642356
Energy: 0.5603662102041468
Energy: 0.5000886178649849
Energy: 0.5603662102033976
Energy: 0.5000886178646103
Energy: 0.5603662102037723

minimum gb energy = 0.49082444781302026 eV
minimum distance =  2.4005819138918 Angstroms
sigma value = 67


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

Energy: 0.5634893013243192
Energy: 0.5471148158341053
Energy: 0.5634893013243192
Energy: 0.5471148158341053
Energy: 0.5634893013238356
Energy: 0.5471148158341053
Energy: 0.5571617671422652
Energy: 0.5348882382619904
Energy: 0.5571617671422652
Energy: 0.5348882382617344
Energy: 0.5571617671422652
Energy: 0.5348882382617344
Energy: 0.7628255846392191
Energy: 0.6565867083336446
Energy: 0.7628255846397313
Energy: 0.6565867083331325
Energy: 0.7628255846394751
Energy: 0.6565867083336446
Energy: 0.5571574022455711
Energy: 0.5349066980547695
Energy: 0.5571574022455711
Energy: 0.5349066980555094
Energy: 0.5571574022455711
Energy: 0.5349066980555094
Energy: 0.5634893013235796
Energy: 0.547114815834845
Energy: 0.5634893013233233
Energy: 0.5471148158351011
Energy: 0.5634893013235796
Energy: 0.5471148158351011
Energy: 0.5571617671412693
Energy: 0.5348882382604825
Energy: 0.5571617671410133
Energy: 0.5348882382607386
Energy: 0.5571617671410133
Energy: 0.5348882382614782
Energy: 0.7874760293416186
Energy: 0.6565867083311409
Energy: 0.7874760293423869
Energy: 0.6565867083311409
Energy: 0.7874760293418748
Energy: 0.6565867083311409

minimum gb energy = 0.5348882382604825 eV
minimum distance =  2.41110537357431 Angstroms
sigma value = 3


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

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Energy: 0.6915051762404241
Energy: 0.7409001948298433
Energy: 0.6915051762404241
Energy: 0.7409001948315778
Energy: 0.6915051762400524
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Energy: 0.6471076989874442
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Energy: 0.6913326643599839
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Energy: 0.6883737027524599
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Energy: 0.7155739957769283
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Energy: 0.7155739957789726
Energy: 0.6873806195529534
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Energy: 0.6557212804499063
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Energy: 0.6557212804553577
Energy: 0.6728094110158465
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Energy: 0.6702971834540871
Energy: 0.6507945543755796
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Energy: 0.6507945543758894
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Energy: 0.6948266091633946
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Energy: 0.6740422042521848
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Energy: 0.7000686036217323
Energy: 0.7011102712145041
Energy: 0.700068603625511
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Energy: 0.7000686036261926
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Energy: 0.6447504211001314
Energy: 0.6711239181110642
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Energy: 0.6711239181117457
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Energy: 0.6744116365601293
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Energy: 0.6538621832133796
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Energy: 0.6538621832113355
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Energy: 0.6538621832117072
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Energy: 0.6834636563127274
Energy: 0.6734688162448786
Energy: 0.6834636563096299
Energy: 0.6734688162445068
Energy: 0.6834636563123556
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Energy: 0.667429207703794
Energy: 0.6347248890377073
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Energy: 0.6674292077028029
Energy: 0.6347248890383886
Energy: 0.6858114015580636
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Energy: 0.6858114015560194
Energy: 0.6358613345330504
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Energy: 0.6904086676450814
Energy: 0.6510567947627193
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Energy: 0.6510567947620378
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Energy: 0.7070559540054547
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Energy: 0.6963474032256249
Energy: 0.6843422635837927
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Energy: 0.6778838656736568
Energy: 0.6734350963122427
Energy: 0.6778838656750197
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Energy: 0.6778838656733471
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Energy: 0.640036279192448
Energy: 0.7060113106335386
Energy: 0.6400362791920763
Energy: 0.7060113106321757
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Energy: 0.6400237736765956
Energy: 0.7001921384155844
Energy: 0.6400237736779585
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Energy: 0.6400237736800027
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Energy: 0.7027099890413823
Energy: 0.6734803257027867
Energy: 0.7027099890420637
Energy: 0.6734803257021053
Energy: 0.7027099890424354
Energy: 0.6734803257027867
Energy: 0.6459905272988494
Energy: 0.7053168311157407
Energy: 0.6459905272988494
Energy: 0.7053168311161124
Energy: 0.6459905272991592
Energy: 0.7053168311154309
Energy: 0.7240235366068419
Energy: 0.6402144150968212
Energy: 0.7240235366102491
Energy: 0.6402144150975027
Energy: 0.7240235366088862
Energy: 0.6402144150978744
Energy: 0.6472002245757388
Energy: 0.6679731677858849
Energy: 0.6472002245750574
Energy: 0.6679731677855751
Energy: 0.6472002245764202
Energy: 0.6679731677862566
Energy: 0.6911226493914487
Energy: 0.6359767888573764
Energy: 0.6911226493934931
Energy: 0.6359767888573764
Energy: 0.6911226493914487
Energy: 0.6359767888570048
Energy: 0.671044945930562
Energy: 0.6921465426486567
Energy: 0.6710449459312433
Energy: 0.6921465426486567
Energy: 0.6710449459301903
Energy: 0.6921465426489665
Energy: 0.7236334488778635
Energy: 0.6406483656834604
Energy: 0.7236334488789167
Energy: 0.6406483656831506
Energy: 0.7236334488805892
Energy: 0.6406483656834604
Energy: 0.6658696228856947
Energy: 0.6686386970268247
Energy: 0.6658696228802433
Energy: 0.6686386970268247
Energy: 0.6658696228825973
Energy: 0.668638697026515
Energy: 0.6903952164637969
Energy: 0.6414121937862601
Energy: 0.6903952164621242
Energy: 0.6414121937848973
Energy: 0.6903952164631155
Energy: 0.6414121937855787
Energy: 0.6462750153989258
Energy: 0.7092206531872918
Energy: 0.6462750153952089
Energy: 0.7092206531876015
Energy: 0.6462750153979346
Energy: 0.7092206531872918
Energy: 0.6815541540148059
Energy: 0.6604020961022071
Energy: 0.6815541540151155
Energy: 0.6604020961031983
Energy: 0.6815541540154874
Energy: 0.6604020961015257
Energy: 0.6671933143359052
Energy: 0.6874549085433924
Energy: 0.6671933143375779
Energy: 0.687454908544074
Energy: 0.6671933143365867
Energy: 0.6874549085427111

minimum gb energy = 0.6347248890377073 eV
minimum distance =  2.33354232714519 Angstroms
sigma value = 81


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

Energy: 0.6963551263679725
Energy: 0.6602794181289185
Energy: 0.6963551263675049
Energy: 0.6602794181284509
Energy: 0.6963551263679725
Energy: 0.6602794181279832
Energy: 0.6858322600879306
Energy: 0.6299759635718767
Energy: 0.6858322600888659
Energy: 0.6299759635718767
Energy: 0.685832260087463
Energy: 0.6299759635718767
Energy: 0.7071770922404929
Energy: 0.6089430026697012
Energy: 0.7071770922400253
Energy: 0.6089430026692336
Energy: 0.7071770922409605
Energy: 0.6089430026697012
Energy: 0.647656841390057
Energy: 0.6648716169101007
Energy: 0.647656841390057
Energy: 0.6648716169105682
Energy: 0.6476568413895893
Energy: 0.664871616909633
Energy: 0.6848412095430786
Energy: 0.6615142191424525
Energy: 0.6848412095430786
Energy: 0.6615142191429201
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Energy: 0.6615142191424525
Energy: 0.6292300283777433
Energy: 0.6037179822656317
Energy: 0.6292300283786786
Energy: 0.6037179822656317
Energy: 0.629230028378211
Energy: 0.6037179822656317
Energy: 0.615774151446372
Energy: 0.6087331457808555
Energy: 0.6157741514454368
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Energy: 0.6157741514468398
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Energy: 0.6509818886785583
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Energy: 0.6509818886808966
Energy: 0.66020295166997
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Energy: 0.6602029516695024
Energy: 0.7392843172924817
Energy: 0.6815310024151467
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Energy: 0.6974944423960582
Energy: 0.6921916449756064
Energy: 0.6974944423955904
Energy: 0.692191644976074
Energy: 0.6974944423969933
Energy: 0.6921916449756064
Energy: 0.6554358515938056
Energy: 0.6279950415923454
Energy: 0.6554358515942732
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Energy: 0.6554358515947408
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Energy: 0.6038266833981996
Energy: 0.622538391650234
Energy: 0.6038266834005376
Energy: 0.6225383916507017
Energy: 0.6038266833996024
Energy: 0.6225383916507017
Energy: 0.663797803675346
Energy: 0.6744054832498584
Energy: 0.6637978036762812
Energy: 0.674405483250326
Energy: 0.6637978036748783
Energy: 0.674405483250326
Energy: 0.6816310782014028
Energy: 0.6034543558249532
Energy: 0.6816310782042085
Energy: 0.6034543558249532
Energy: 0.6816310782042085
Energy: 0.6034543558254208
Energy: 0.6038945820939319
Energy: 0.6577355657360273
Energy: 0.603894582094867
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Energy: 0.603894582094867
Energy: 0.6577355657360273
Energy: 0.6556307522043472
Energy: 0.629068651277409
Energy: 0.6556307522062177
Energy: 0.629068651277409
Energy: 0.6556307522052824
Energy: 0.629068651277409
Energy: 0.7055347154680222
Energy: 0.6035491173882573
Energy: 0.7055347154670868
Energy: 0.6035491173877897
Energy: 0.7055347154670868
Energy: 0.6035491173905956
Energy: 0.6320057526146982
Energy: 0.6870137489598166
Energy: 0.6320057526165687
Energy: 0.6870137489588812
Energy: 0.6320057526156334
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Energy: 0.605333637525438
Energy: 0.6947183640074498
Energy: 0.6053336375268409
Energy: 0.6947183640088528
Energy: 0.6053336375263733
Energy: 0.6947183640097879
Energy: 0.6650073814762784
Energy: 0.7408263708222764
Energy: 0.665007381476746
Energy: 0.7408263708218088
Energy: 0.665007381473005
Energy: 0.7408263708213411
Energy: 0.653725460676537
Energy: 0.7057465694006008
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Energy: 0.705746569401536
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Energy: 0.7057465694010685
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Energy: 0.6303712625031878
Energy: 0.6362304231602854
Energy: 0.6303712625031878
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Energy: 0.6303712625031878
Energy: 0.6396483489756332
Energy: 0.5996363448411866
Energy: 0.6396483489765685
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Energy: 0.6396483489756332
Energy: 0.5996363448416542
Energy: 0.6610381485459285
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Energy: 0.68133651636954
Energy: 0.7222120302915039
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Energy: 0.7222120302919715
Energy: 0.7068426284388805
Energy: 0.7411080331697065
Energy: 0.7068426284398157
Energy: 0.7411080331687713
Energy: 0.706842628439348
Energy: 0.7411080331697065
Energy: 0.6316356259829206
Energy: 0.6467458696178772
Energy: 0.6316356259847911
Energy: 0.6467458696174094
Energy: 0.6316356259847911
Energy: 0.6467458696174094
Energy: 0.6232207115417606
Energy: 0.6033953032408742
Energy: 0.6232207115426958
Energy: 0.6033953032422772
Energy: 0.6232207115436312
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Energy: 0.6507198841544741
Energy: 0.6895334692371005
Energy: 0.6507198841554095
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Energy: 0.6507198841544741
Energy: 0.6895334692375682
Energy: 0.6035317471525896
Energy: 0.6219746823247062
Energy: 0.6035317471539925
Energy: 0.6219746823247062
Energy: 0.6035317471539925
Energy: 0.6219746823251738
Energy: 0.6641000246393165
Energy: 0.6056146010928155
Energy: 0.6641000246383814
Energy: 0.6056146010928155
Energy: 0.664100024638849
Energy: 0.6056146010937508
Energy: 0.6618215812996794
Energy: 0.653011875685946
Energy: 0.6618215812996794
Energy: 0.6530118756854784
Energy: 0.6618215812992118
Energy: 0.653011875685946
Energy: 0.6039720065253928
Energy: 0.6296953863014623
Energy: 0.6039720065235223
Energy: 0.6296953863005269
Energy: 0.6039720065258606
Energy: 0.6296953863014623
Energy: 0.6049289165523362
Energy: 0.614353008240043
Energy: 0.6049289165514009
Energy: 0.614353008240043
Energy: 0.6049289165509333
Energy: 0.6143530082405106
Energy: 0.6570468093950665
Energy: 0.7813600172502022
Energy: 0.6570468093936637
Energy: 0.7813600172502022
Energy: 0.6570468093950665
Energy: 0.781360017249267
Energy: 0.757452743221877
Energy: 0.6669934092333181
Energy: 0.757452743221877
Energy: 0.6669934092309799
Energy: 0.757452743221877
Energy: 0.6669934092342534
Energy: 0.6507750074380324
Energy: 0.6568379784856976
Energy: 0.6507750074394353
Energy: 0.6568379784861652
Energy: 0.6507750074413058
Energy: 0.6568379784856976
Energy: 0.6287516569050526
Energy: 0.608865483155082
Energy: 0.6287516569059879
Energy: 0.608865483155082
Energy: 0.6287516569050526
Energy: 0.608865483155082

minimum gb energy = 0.5996363448411866 eV
minimum distance =  2.42036063081952 Angstroms
sigma value = 43


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

Energy: 0.7599871235041348
Energy: 0.6265331557459928
Energy: 0.7599871235052835
Energy: 0.6265331557454183
Energy: 0.7599871235047092
Energy: 0.6265331557454183
Energy: 0.649961062702142
Energy: 0.6197268900419306
Energy: 0.6499610627015677
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Energy: 0.6499610627027165
Energy: 0.6197268900419306
Energy: 0.7042884627040605
Energy: 0.7200179549731577
Energy: 0.7042884627029117
Energy: 0.7200179549725834
Energy: 0.7042884627040605
Energy: 0.7200179549731577
Energy: 0.6257256796586846
Energy: 0.6516955222700966
Energy: 0.6257256796598334
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Energy: 0.6257256796581103
Energy: 0.6516955222706711
Energy: 0.703750165751036
Energy: 0.6796567199454691
Energy: 0.7037501657498872
Energy: 0.6796567199466178
Energy: 0.7037501657504616
Energy: 0.6796567199454691
Energy: 0.6419394672347138
Energy: 0.6620141529219272
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Energy: 0.6620141529213528
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Energy: 0.6401549491302877
Energy: 0.6823563765356923
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Energy: 0.6823563765351179
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Energy: 0.6395621131188153
Energy: 0.6705082750440773
Energy: 0.6395621131176665
Energy: 0.6705082750440773
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Energy: 0.6705082750435029
Energy: 0.7406469944364323
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Energy: 0.7406469944352835
Energy: 0.6183406303204803
Energy: 0.7406469944364323
Energy: 0.6183406303204803
Energy: 0.6607748355838311
Energy: 0.6577341818084683
Energy: 0.6607748355832567
Energy: 0.6577341818084683
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Energy: 0.6589949321521176
Energy: 0.6665654425981059
Energy: 0.6589949321515433
Energy: 0.6665654425774274
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Energy: 0.6665654425762786
Energy: 0.6395820955237762
Energy: 0.6592939313136477
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Energy: 0.6592939313544302
Energy: 0.6395820955243506
Energy: 0.6592939313228381
Energy: 0.7245730835107208
Energy: 0.6631348535638316
Energy: 0.7245730835112951
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Energy: 0.6631348535638316
Energy: 0.6128820153701016
Energy: 0.6590130728476651
Energy: 0.6128820153689527
Energy: 0.6590130728482395
Energy: 0.6128820153695271
Energy: 0.6590130728476651
Energy: 0.6701581010817202
Energy: 0.6830392465115578
Energy: 0.670158101082869
Energy: 0.6830392465109834
Energy: 0.6701581010811459
Energy: 0.6830392465115578
Energy: 0.6576770147939119
Energy: 0.7183906507285798
Energy: 0.6576770147944864
Energy: 0.7183906507285798
Energy: 0.6576770147944864
Energy: 0.7183906507285798
Energy: 0.6776052515555476
Energy: 0.6205922191885908
Energy: 0.6776052515566965
Energy: 0.6205922191885908
Energy: 0.6776052515538246
Energy: 0.6205922191885908
Energy: 0.6988933075985269
Energy: 0.6492620441025464
Energy: 0.6988933075991013
Energy: 0.6492620441019721
Energy: 0.6988933075979525
Energy: 0.6492620441025464
Energy: 0.6985532686997036
Energy: 0.6360253357465916
Energy: 0.6985532686997036
Energy: 0.636025335735678
Energy: 0.6985532686997036
Energy: 0.6360253357351037
Energy: 0.6776970637565206
Energy: 0.6204754075397949
Energy: 0.6776970637611158
Energy: 0.6204754075403692
Energy: 0.6776970637582439
Energy: 0.6204754075403692
Energy: 0.6579109583434697
Energy: 0.6599508707452946
Energy: 0.6579109583440441
Energy: 0.6599508707452946
Energy: 0.6579109583417465
Energy: 0.6599508707452946
Energy: 0.692451378622859
Energy: 0.7172674504502522
Energy: 0.6924513786222846
Energy: 0.7172674504502522
Energy: 0.692451378622859
Energy: 0.7172674504502522
Energy: 0.6131699072687342
Energy: 0.6823719883698217
Energy: 0.6131699072687342
Energy: 0.6823719883703961
Energy: 0.6131699072687342
Energy: 0.6823719883703961
Energy: 0.7228155491944273
Energy: 0.6622175867061526
Energy: 0.7228155491950017
Energy: 0.6622175867061526
Energy: 0.7228155491950017
Energy: 0.6622175867055783
Energy: 0.6391337274943142
Energy: 0.6423723486488576
Energy: 0.6391337274937396
Energy: 0.6423723486488576
Energy: 0.6391337274943142
Energy: 0.6423723486488576
Energy: 0.6929256835812871
Energy: 0.6704745057350168
Energy: 0.6929256835812871
Energy: 0.6704745057355911
Energy: 0.6929256835812871
Energy: 0.6704745057350168
Energy: 0.6561960267403589
Energy: 0.619648879001074
Energy: 0.6561960267426565
Energy: 0.619648879001074
Energy: 0.6561960267409332
Energy: 0.619648879001074
Energy: 0.6845972936927016
Energy: 0.6951974080916101
Energy: 0.6845972936915529
Energy: 0.6951974080916101
Energy: 0.6845972936927016
Energy: 0.6951974080916101
Energy: 0.6391220124373662
Energy: 0.6706902040189435
Energy: 0.639122012435643
Energy: 0.6706902040195178
Energy: 0.6391220124367918
Energy: 0.6706902040200923
Energy: 0.673772755259601
Energy: 0.6594349274624034
Energy: 0.6737727552601753
Energy: 0.6594349274618291
Energy: 0.6737727552601753
Energy: 0.6594349274618291
Energy: 0.6431606510273723
Energy: 0.661517031328442
Energy: 0.6431606510273723
Energy: 0.661517031328442
Energy: 0.643160651025649
Energy: 0.661517031328442

minimum gb energy = 0.6128820153689527 eV
minimum distance =  2.3638272935844 Angstroms
sigma value = 57


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

Energy: 0.7383186810118331
Energy: 0.6347454523340247
Energy: 0.7383186810118331
Energy: 0.6347454523340247
Energy: 0.7383186810125767
Energy: 0.6347454523340247
Energy: 0.6534074277919464
Energy: 0.6148564870374094
Energy: 0.6534074277934337
Energy: 0.6148564870381531
Energy: 0.6534074277919464
Energy: 0.6148564870374094
Energy: 0.6835700569059918
Energy: 0.713541916182383
Energy: 0.6835700569059918
Energy: 0.713541916182383
Energy: 0.6835700569059918
Energy: 0.7135419161816394
Energy: 0.6353701102181383
Energy: 0.6357925406550341
Energy: 0.6353701102196256
Energy: 0.6357925406513154
Energy: 0.6353701102181383
Energy: 0.6357925406535466
Energy: 0.6480761201953584
Energy: 0.6764826518384286
Energy: 0.6480761201946148
Energy: 0.6764826518361975
Energy: 0.6480761201938711
Energy: 0.6764826518354538
Energy: 0.696501422347614
Energy: 0.6448767719424499
Energy: 0.6965014223498451
Energy: 0.6448767719424499
Energy: 0.6965014223483577
Energy: 0.6448767719417061
Energy: 0.6668622287667415
Energy: 0.7485893893191362
Energy: 0.6668622287645103
Energy: 0.7485893893198798
Energy: 0.6668622287659978
Energy: 0.7485893893198798
Energy: 0.6355622080789137
Energy: 0.6223290958752306
Energy: 0.6355622080804012
Energy: 0.6223290958744868
Energy: 0.6355622080804012
Energy: 0.6223290958774618
Energy: 0.6804067112142895
Energy: 0.6148790107558756
Energy: 0.6804067112142895
Energy: 0.6148790107573631
Energy: 0.6804067112135797
Energy: 0.6148790107558756
Energy: 0.6163124054687978
Energy: 0.6289130554666443
Energy: 0.6163124054680541
Energy: 0.6289130554666443
Energy: 0.6163124054687978
Energy: 0.6289130554666443
Energy: 0.6746412387410212
Energy: 0.6372699786088152
Energy: 0.6746412387402775
Energy: 0.6372699786080716
Energy: 0.6746412387425086
Energy: 0.6372699786080716
Energy: 0.6487278291379666
Energy: 0.7368459011482372
Energy: 0.6487278291379666
Energy: 0.7368459011474936
Energy: 0.6487278291387103
Energy: 0.7368459011467499
Energy: 0.7107357189201323
Energy: 0.6149683747577632
Energy: 0.7107357189201323
Energy: 0.6149683747577632
Energy: 0.710735718920876
Energy: 0.6149683747585069
Energy: 0.6657400371321227
Energy: 0.6217278251106415
Energy: 0.6657400371321227
Energy: 0.6217278251113852
Energy: 0.6657400371321227
Energy: 0.6217278251106415
Energy: 0.6735031681357359
Energy: 0.6177243817927458
Energy: 0.6735031681364796
Energy: 0.6177243817927458
Energy: 0.6735031681364796
Energy: 0.6177243817927458
Energy: 0.7027704494291163
Energy: 0.6734390915865297
Energy: 0.7027704494276289
Energy: 0.6734390915865297
Energy: 0.7027704494283726
Energy: 0.6734390915872734
Energy: 0.617934524893069
Energy: 0.6423375066232092
Energy: 0.6179345248915815
Energy: 0.6423375066224655
Energy: 0.617934524893069
Energy: 0.6423375066224655
Energy: 0.6728741827226825
Energy: 0.6541088735515234
Energy: 0.6728741827219387
Energy: 0.654108873552267
Energy: 0.6728741827234263
Energy: 0.6541088735515234
Energy: 0.617225555760911
Energy: 0.6498149080612434
Energy: 0.617225555760911
Energy: 0.6498149080612434
Energy: 0.617225555760911
Energy: 0.6498149080612434
Energy: 0.6444564368330951
Energy: 0.6729625167780485
Energy: 0.6444564368330951
Energy: 0.6729625167787922
Energy: 0.6444564368345824
Energy: 0.6729625167787922
Energy: 0.6522771456590186
Energy: 0.6263103807533171
Energy: 0.6522771456567875
Energy: 0.6263103807533171
Energy: 0.6522771456597624
Energy: 0.6263103807533171
Energy: 0.7335404040238541
Energy: 0.6632648771124545
Energy: 0.7335404040238541
Energy: 0.6632648771139421
Energy: 0.7335404040238541
Energy: 0.6632648771131984
Energy: 0.6405565128672608
Energy: 0.616331657598323
Energy: 0.6405565128687484
Energy: 0.616331657598323
Energy: 0.6405565128672608
Energy: 0.6163316575990667
Energy: 0.6503215000462387
Energy: 0.6823775917070662
Energy: 0.6503215000477262
Energy: 0.6823775917055788
Energy: 0.6503215000462387
Energy: 0.6823775917063226

minimum gb energy = 0.6148564870374094 eV
minimum distance =  2.38910395380775 Angstroms
sigma value = 17


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

Energy: 0.617763680586261
Energy: 0.5851065200236455
Energy: 0.6177636805841574
Energy: 0.5851065200236455
Energy: 0.617763680586261
Energy: 0.5851065200236455
Energy: 0.5787476989862641
Energy: 0.5658885977282213
Energy: 0.5787476989862641
Energy: 0.5658885977282213
Energy: 0.5787476989841606
Energy: 0.5658885977282213
Energy: 0.6627193727907758
Energy: 0.6582416580674961
Energy: 0.6627193727897239
Energy: 0.6582416580674961
Energy: 0.6627193727907758
Energy: 0.6582416580664445
Energy: 0.5640428459820725
Energy: 0.6542136585783701
Energy: 0.5640428459820725
Energy: 0.6542136585783701
Energy: 0.5640428459820725
Energy: 0.6542136585773183
Energy: 0.5543643303701274
Energy: 0.6289210282804257
Energy: 0.6174562351988231
Energy: 0.6289210283414054
Energy: 0.5543402647770433
Energy: 0.6289210281279883
Energy: 0.6127477639706598
Energy: 0.5643617884108824
Energy: 0.6127477639706598
Energy: 0.5643617884098306
Energy: 0.6127477639717116
Energy: 0.5643617884098306
Energy: 0.5521965450535498
Energy: 0.5855523651421695
Energy: 0.5521965450535498
Energy: 0.5855523651411176
Energy: 0.5521965450546016
Energy: 0.5855523651421695
Energy: 0.563787707253373
Energy: 0.6388275763841773
Energy: 0.563787707253373
Energy: 0.6388275763831255
Energy: 0.563787707253373
Energy: 0.6388275763841773
Energy: 0.6419106006059737
Energy: 0.5651922898478275
Energy: 0.6419106006070256
Energy: 0.5651922898478275
Energy: 0.6419106006070256
Energy: 0.5651922898478275
Energy: 0.6089208367786328
Energy: 0.5757692943512144
Energy: 0.6089208367786328
Energy: 0.5757692943512144
Energy: 0.6089208367796847
Energy: 0.5757692943512144
Energy: 0.5986831419983037
Energy: 0.5936275946044623
Energy: 0.5986831419983037
Energy: 0.5936275946044623
Energy: 0.5986831419972518
Energy: 0.5936275946044623
Energy: 0.6213262340445871
Energy: 0.5848037598096372
Energy: 0.6213262340445871
Energy: 0.5848037598096372
Energy: 0.6213262340466906
Energy: 0.5848037598096372
Energy: 0.5456270174033392
Energy: 0.644296303206206
Energy: 0.5456270174033392
Energy: 0.6442963032051542
Energy: 0.5456270174033392
Energy: 0.6442963032051542
Energy: 0.6085253131200292
Energy: 0.6631213474861138
Energy: 0.6085253131200292
Energy: 0.6631213474861138
Energy: 0.6085253131200292
Energy: 0.6631213474861138
Energy: 0.6125269798122727
Energy: 0.5713802087536729
Energy: 0.6125269798112207
Energy: 0.5713802087536729
Energy: 0.6125269798091172
Energy: 0.5713802087536729
Energy: 0.612783615322743
Energy: 0.5647935486230335
Energy: 0.6127836153248465
Energy: 0.5647935486230335
Energy: 0.6127836153237947
Energy: 0.5647935486230335
Energy: 0.6077922718187234
Energy: 0.6632413770060513
Energy: 0.6077922718187234
Energy: 0.6632413770060513
Energy: 0.6077922718187234
Energy: 0.6632413770049995

minimum gb energy = 0.5456270174033392 eV
minimum distance =  2.36722826859268 Angstroms
sigma value = 17


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

Energy: 0.5622638242603519
Energy: 0.546378069927604
Energy: 0.5622638242554779
Energy: 0.5463780699271978
Energy: 0.5622638242599457
Energy: 0.546378069927604
Energy: 0.563567810656727
Energy: 0.5289267790723674
Energy: 0.5635678106542898
Energy: 0.5289267790727735
Energy: 0.5635678106575392
Energy: 0.5289267790723674
Energy: 0.6090791927344841
Energy: 0.5807441992777812
Energy: 0.6090791927324533
Energy: 0.5807441992777812
Energy: 0.6090791927336717
Energy: 0.580744199277375
Energy: 0.5362783284225946
Energy: 0.585807930036254
Energy: 0.5362783284246254
Energy: 0.5858079300366601
Energy: 0.5362783284225946
Energy: 0.5858079300370663
Energy: 0.6273862277523757
Energy: 0.5291138292643743
Energy: 0.6273862277523757
Energy: 0.5291138292643743
Energy: 0.6273862277540004
Energy: 0.5291138292643743
Energy: 0.5953790280591476
Energy: 0.5358122065946535
Energy: 0.5953790280636153
Energy: 0.5358122065938411
Energy: 0.5953790280595537
Energy: 0.5358122065938411
Energy: 0.560018931315762
Energy: 0.5614712156483537
Energy: 0.5600189313153557
Energy: 0.5614712156487599
Energy: 0.560018931315762
Energy: 0.5614712156495721
Energy: 0.6026598585741735
Energy: 0.5684193015452071
Energy: 0.6026598585798598
Energy: 0.5684193015439887
Energy: 0.6026598585741735
Energy: 0.568419301539927
Energy: 0.575753985683124
Energy: 0.540498762821891
Energy: 0.575753985683124
Energy: 0.5404987628243281
Energy: 0.5757539856835301
Energy: 0.5404987628239218
Energy: 0.5566952369275502
Energy: 0.5116932223423931
Energy: 0.5566952369259256
Energy: 0.5116932223415809
Energy: 0.5566952369259256
Energy: 0.5116932223415809
Energy: 0.5122564437769798
Energy: 0.5770034956469664
Energy: 0.5122564437761674
Energy: 0.5770034956473725
Energy: 0.512256443777386
Energy: 0.5770034956477786
Energy: 0.6098716791808825
Energy: 0.5345676531889141
Energy: 0.6098716791841318
Energy: 0.5345676531889141
Energy: 0.6098716791804764
Energy: 0.5345676531893202
Energy: 0.6010122197354621
Energy: 0.5399152422344251
Energy: 0.6010122197366806
Energy: 0.5399152422344251
Energy: 0.6010122197362745
Energy: 0.5399152422336128
Energy: 0.5496902899422962
Energy: 0.6038516130749574
Energy: 0.5496902899390469
Energy: 0.6038516130745512
Energy: 0.5496902899410776
Energy: 0.6038516130749574
Energy: 0.5817164481760061
Energy: 0.5603271112248975
Energy: 0.5817164481752306
Energy: 0.5603271112240852
Energy: 0.5817164481772246
Energy: 0.5603271112244913
Energy: 0.5191878474798869
Energy: 0.6204506221076842
Energy: 0.5191878474770438
Energy: 0.6204506221068719
Energy: 0.5191878474774501
Energy: 0.6204506221068719
Energy: 0.557683508492925
Energy: 0.5784718809069649
Energy: 0.557683508492925
Energy: 0.5784718809065588
Energy: 0.5576835084937374
Energy: 0.5784718809065588
Energy: 0.5857379138291382
Energy: 0.5735074841155214
Energy: 0.5857379138267012
Energy: 0.5735074841163338
Energy: 0.5857379138246704
Energy: 0.5735074841155214
Energy: 0.568476618580032
Energy: 0.5756320847689461
Energy: 0.5684766185763764
Energy: 0.5756320847689461
Energy: 0.5684766185804381
Energy: 0.5756320847689461
Energy: 0.5574373955294126
Energy: 0.551992211515725
Energy: 0.5574373955322557
Energy: 0.5519922115161311
Energy: 0.5574373955298186
Energy: 0.5519922115161311
Energy: 0.5684914733828151
Energy: 0.5756058584874619
Energy: 0.5684914733856584
Energy: 0.5756058584874619
Energy: 0.5684914733832214
Energy: 0.5756058584870558
Energy: 0.5854751148311184
Energy: 0.5729747397312006
Energy: 0.5854751148319307
Energy: 0.5729747397287637
Energy: 0.5854751148298999
Energy: 0.5729747397275452
Energy: 0.5576567377509686
Energy: 0.5783587338400196
Energy: 0.5576567377509686
Energy: 0.5783587338396134
Energy: 0.5576567377501563
Energy: 0.5783587338396134
Energy: 0.5192273431927945
Energy: 0.6204116724828893
Energy: 0.5192273431887329
Energy: 0.6204116724816708
Energy: 0.5192273431903576
Energy: 0.6204116724816708
Energy: 0.5817006460262374
Energy: 0.5604898328417869
Energy: 0.5817006460258313
Energy: 0.5604898328413807
Energy: 0.5817006460262374
Energy: 0.5604898328417869
Energy: 0.5497023202998167
Energy: 0.6039014302900966
Energy: 0.5497023202998167
Energy: 0.6039014302896903
Energy: 0.5497023202994106
Energy: 0.6039014302896903
Energy: 0.600960296318576
Energy: 0.5402025530597284
Energy: 0.6009602963181697
Energy: 0.5402025530589161
Energy: 0.6009602963193883
Energy: 0.5402025530593223
Energy: 0.6098991683231704
Energy: 0.5346120417539063
Energy: 0.6098991683227641
Energy: 0.5346120417543124
Energy: 0.609899168322358
Energy: 0.5346120417547187
Energy: 0.5122164922416015
Energy: 0.5769910702242542
Energy: 0.5122164922416015
Energy: 0.576991070223848
Energy: 0.5122164922432262
Energy: 0.5769910702242542
Energy: 0.55669776942018
Energy: 0.5662422718080284
Energy: 0.5566977694213985
Energy: 0.5662422718133087
Energy: 0.55669776942018
Energy: 0.5662422718133087
Energy: 0.5760359373124564
Energy: 0.5405915035885445
Energy: 0.576035937311644
Energy: 0.5405915035893567
Energy: 0.5760359373124564
Energy: 0.5405915035897628
Energy: 0.6026474017917365
Energy: 0.5680527722814692
Energy: 0.6026474017933611
Energy: 0.5680527722843124
Energy: 0.6026474017937673
Energy: 0.5680527722798446
Energy: 0.5600183990789686
Energy: 0.5616176163730573
Energy: 0.5600183990785624
Energy: 0.5616176163734635
Energy: 0.5600183990797809
Energy: 0.5616176163730573
Energy: 0.5950065731761042
Energy: 0.5357648629868305
Energy: 0.5950065731744795
Energy: 0.5357648629864243
Energy: 0.5950065731756979
Energy: 0.5357648629864243
Energy: 0.6271041931289267
Energy: 0.5292202874364611
Energy: 0.6271041931297391
Energy: 0.5292202874368672
Energy: 0.6271041931293329
Energy: 0.5292202874356488
Energy: 0.536354386842326
Energy: 0.5857814111947764
Energy: 0.5363543868419197
Energy: 0.5857814111943703
Energy: 0.5363543868427321
Energy: 0.5857814111939641
Energy: 0.6090637508548234
Energy: 0.5804917019230149
Energy: 0.6090637508527927
Energy: 0.5804917019226088
Energy: 0.6090637508552297
Energy: 0.5804917019226088
Energy: 0.5635630257840972
Energy: 0.529005830208412
Energy: 0.5635630257824725
Energy: 0.5290058302096304
Energy: 0.5635630257832849
Energy: 0.5290058302088181
Energy: 0.5622638242595396
Energy: 0.546378069924761
Energy: 0.5622638242546657
Energy: 0.5463780699243548
Energy: 0.5622638242599457
Energy: 0.546378069924761
Energy: 0.5635678106551023
Energy: 0.5289267790711489
Energy: 0.5635678106563208
Energy: 0.5289267790695243
Energy: 0.5635678106559147
Energy: 0.5289267790695243
Energy: 0.6090791927287977
Energy: 0.5807441992789997
Energy: 0.6090791927267669
Energy: 0.5807441992789997
Energy: 0.6090791927287977
Energy: 0.5807441992789997
Energy: 0.5362783284242192
Energy: 0.585807930036254
Energy: 0.5362783284238131
Energy: 0.5858079300354416
Energy: 0.5362783284242192
Energy: 0.5858079300374724
Energy: 0.6273862277572497
Energy: 0.5291138292623435
Energy: 0.6273862277576558
Energy: 0.5291138292623435
Energy: 0.6273862277572497
Energy: 0.5291138292627496

minimum gb energy = 0.5116932223415809 eV
minimum distance =  2.39043418958035 Angstroms
sigma value = 57


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

Energy: 0.5230314666721744
Energy: 0.5066973212317053
Energy: 0.5230314666701903
Energy: 0.5066973212323667
Energy: 0.5230314666741583
Energy: 0.5066973212323667
Energy: 0.5137550201397829
Energy: 0.500614827867306
Energy: 0.5137550201463962
Energy: 0.5006148278686287
Energy: 0.5137550201444123
Energy: 0.5006148278679673
Energy: 0.5743295406916961
Energy: 0.5403788506120021
Energy: 0.5743295406910347
Energy: 0.5403788506120021
Energy: 0.574329540689712
Energy: 0.5403788506120021
Energy: 0.48277719064634506
Energy: 0.553243746324663
Energy: 0.4827771906496517
Energy: 0.553243746324663
Energy: 0.48277719064899033
Energy: 0.553243746324663
Energy: 0.586981333085966
Energy: 0.4721411862105463
Energy: 0.5869813330853048
Energy: 0.4721411862112076
Energy: 0.5869813330879502
Energy: 0.4721411862105463
Energy: 0.5539908376009605
Energy: 0.5018989999301747
Energy: 0.5539908376016218
Energy: 0.5018989999295134
Energy: 0.5539908376009605
Energy: 0.5018989999308361
Energy: 0.48139704305357267
Energy: 0.5349154587076562
Energy: 0.4813970430568793
Energy: 0.5349154587069949
Energy: 0.4813970430555566
Energy: 0.5349154587083176
Energy: 0.5172320620547979
Energy: 0.5192709518237354
Energy: 0.5172320620528139
Energy: 0.519286320397668
Energy: 0.5172320620534753
Energy: 0.5192713601760192
Energy: 0.5116632520785394
Energy: 0.5028793200715244
Energy: 0.5116632520805233
Energy: 0.5028793200708631
Energy: 0.5116632520785394
Energy: 0.5028793200708631
Energy: 0.5162640719839907
Energy: 0.5150388509334105
Energy: 0.5162640719820066
Energy: 0.5150388509334105
Energy: 0.5162640719833295
Energy: 0.5150388509334105
Energy: 0.48157615431312656
Energy: 0.5323649213608729
Energy: 0.48157615430915857
Energy: 0.5323649213668249
Energy: 0.48157615430915857
Energy: 0.5323649213615342
Energy: 0.5327744872787659
Energy: 0.4823389928863942
Energy: 0.5327744872787659
Energy: 0.482338992885733
Energy: 0.5327744872781046
Energy: 0.482338992885733
Energy: 0.5128689388394904
Energy: 0.579872141809698
Energy: 0.5128689388414743
Energy: 0.579872141809698
Energy: 0.5128689388394904
Energy: 0.579872141809698
Energy: 0.4829407091455863
Energy: 0.5368855429314373
Energy: 0.48294070914690895
Energy: 0.536885542930776
Energy: 0.48294070914624765
Energy: 0.5368855429314373
Energy: 0.5606100222239111
Energy: 0.5031357464525471
Energy: 0.5606100222219271
Energy: 0.5031357464525471
Energy: 0.5606100222225885
Energy: 0.5031357464532085
Energy: 0.5115414018095059
Energy: 0.5145059293765767
Energy: 0.5115414018114898
Energy: 0.5145059293759153
Energy: 0.5115414018108284
Energy: 0.5145059293745925
Energy: 0.5193171322782943
Energy: 0.5800758114456107
Energy: 0.5193171322782943
Energy: 0.5800758114462721
Energy: 0.5193171322769717
Energy: 0.5800758114462721
Energy: 0.5451470870332339
Energy: 0.5026687245074757
Energy: 0.545147087035218
Energy: 0.5026687245074757
Energy: 0.5451470870338951
Energy: 0.502668724508137
Energy: 0.4921636526675298
Energy: 0.5497631741489583
Energy: 0.49216365266951384
Energy: 0.5497631741482969
Energy: 0.4921636526681912
Energy: 0.5497631741482969
Energy: 0.49482587290049096
Energy: 0.5524742833128684
Energy: 0.49482587290313634
Energy: 0.5524742833128684
Energy: 0.494825872894539
Energy: 0.5524742833122072
Energy: 0.5516916625244467
Energy: 0.6592656273145229
Energy: 0.5516916625257694
Energy: 0.6592656273145229
Energy: 0.5516916625270921
Energy: 0.6592656273145229
Energy: 0.494285724724678
Energy: 0.6048025038722359
Energy: 0.494285724724678
Energy: 0.6048025038715745
Energy: 0.494285724724678
Energy: 0.6048025038722359
Energy: 0.5200952377064606
Energy: 0.5369212230104985
Energy: 0.5200952377077832
Energy: 0.5369212230111597
Energy: 0.5200952377057992
Energy: 0.5369212230104985
Energy: 0.5309684574233474
Energy: 0.5446297938145578
Energy: 0.5309684574279766
Energy: 0.5446297938138964
Energy: 0.5309684574240087
Energy: 0.5446297938132351
Energy: 0.5212257124258951
Energy: 0.6473132192977965
Energy: 0.5212257076049231
Energy: 0.6473132192977965
Energy: 0.5212257075619968
Energy: 0.6473132192977965
Energy: 0.51048046467669
Energy: 0.5367621075722884
Energy: 0.5104804646773512
Energy: 0.5367621075722884
Energy: 0.5104804646773512
Energy: 0.5367621075722884
Energy: 0.49108466205591905
Energy: 0.6032707870312523
Energy: 0.49108466205724166
Energy: 0.6032707870312523
Energy: 0.49108466205724166
Energy: 0.6032707870312523

minimum gb energy = 0.4721411862105463 eV
minimum distance =  2.32993296903003 Angstroms
sigma value = 43


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

Energy: 0.5387316743406315
Energy: 0.4501955517095664
Energy: 0.5387316743401497
Energy: 0.4501955517095664
Energy: 0.5387316743391859
Energy: 0.4501955517095664
Energy: 0.5115666100392509
Energy: 0.4491816212929732
Energy: 0.5115666100397327
Energy: 0.44918162129200945
Energy: 0.5115666100392509
Energy: 0.4491816212929732
Energy: 0.49556245982682806
Energy: 0.48369564886267363
Energy: 0.49556245982586433
Energy: 0.4836956488631556
Energy: 0.49556245982634617
Energy: 0.48369564886267363
Energy: 0.4494553702850695
Energy: 0.47183056068664514
Energy: 0.4494553702855513
Energy: 0.47183056068664514
Energy: 0.4494553702855513
Energy: 0.4718305606861633
Energy: 0.4908071667722497
Energy: 0.4157196345202086
Energy: 0.4908071667732134
Energy: 0.4157196345202086
Energy: 0.4908071667722497
Energy: 0.4157196345202086
Energy: 0.47339591161085953
Energy: 0.43879683690518667
Energy: 0.47339591161085953
Energy: 0.43879683690518667
Energy: 0.47339591161134137
Energy: 0.43879683690518667
Energy: 0.45049726804276957
Energy: 0.4600190341384632
Energy: 0.4504972680456607
Energy: 0.46001903413749945
Energy: 0.450497268044697
Energy: 0.46001903413749945
Energy: 0.5141595255451616
Energy: 0.4073007608763232
Energy: 0.5141595255446799
Energy: 0.4073007608763232
Energy: 0.5141595255432343
Energy: 0.407300760876805
Energy: 0.45701749632337824
Energy: 0.4366192628365691
Energy: 0.4570174963238601
Energy: 0.43661926283705094
Energy: 0.4570174963238601
Energy: 0.43661926283705094
Energy: 0.4920615622878928
Energy: 0.44752077487643127
Energy: 0.4920615622888565
Energy: 0.44752077487643127
Energy: 0.4920615622869291
Energy: 0.4475207748759493
Energy: 0.5300340359539982
Energy: 0.4527309577645353
Energy: 0.5300340359535165
Energy: 0.45273095776405337
Energy: 0.530034035954962
Energy: 0.452730957765499
Energy: 0.43141218659645475
Energy: 0.4370459391955353
Energy: 0.43141218659597297
Energy: 0.4370459391955353
Energy: 0.43141218659645475
Energy: 0.4370459391955353
Energy: 0.4912963245404914
Energy: 0.4294474841978807
Energy: 0.4912963245433825
Energy: 0.4294474841978807
Energy: 0.4912963245414551
Energy: 0.4294474841978807
Energy: 0.5349774461448787
Energy: 0.47860333001847766
Energy: 0.5349774461443969
Energy: 0.47860333001799577
Energy: 0.5349774461443969
Energy: 0.47860333001847766
Energy: 0.44557706940937675
Energy: 0.4799086767550739
Energy: 0.44557706940937675
Energy: 0.4799086767550739
Energy: 0.4455770694084131
Energy: 0.47990867675555576
Energy: 0.4950358330078779
Energy: 0.47550462706813656
Energy: 0.4950358330078779
Energy: 0.47550462706813656
Energy: 0.4950358330078779
Energy: 0.47550462706813656
Energy: 0.5322971066698051
Energy: 0.47608391659513294
Energy: 0.5322971066698051
Energy: 0.4760839165956148
Energy: 0.5322971066698051
Energy: 0.47608391659513294
Energy: 0.4603484451615867
Energy: 0.4318575957232801
Energy: 0.4603484451620686
Energy: 0.4318575957232801
Energy: 0.4603484451615867
Energy: 0.4318575957232801
Energy: 0.4219280843054335
Energy: 0.498705952496152
Energy: 0.42192808430495166
Energy: 0.498705952496152
Energy: 0.4219280843044698
Energy: 0.498705952496152
Energy: 0.4376289075619572
Energy: 0.43417671314454165
Energy: 0.4376289075634028
Energy: 0.43417671314261425
Energy: 0.4376289075619572
Energy: 0.43417671314598716
Energy: 0.48623550555182526
Energy: 0.4394507730269752
Energy: 0.48623550555086154
Energy: 0.4394507730269752
Energy: 0.486235505552789
Energy: 0.4394507730269752
Energy: 0.4521632580595735
Energy: 0.48975093330547365
Energy: 0.4521632580605372
Energy: 0.48975093330547365
Energy: 0.4521632580605372
Energy: 0.48975093330499175
Energy: 0.4533753458195738
Energy: 0.4917534873063388
Energy: 0.453375345819092
Energy: 0.4917534873063388
Energy: 0.4533753458195738
Energy: 0.4917534873063388
Energy: 0.4701905034291465
Energy: 0.4381962408551257
Energy: 0.4701905034286646
Energy: 0.4381962408551257
Energy: 0.4701905034286646
Energy: 0.4381962408546438
Energy: 0.42073835497094414
Energy: 0.43636878927549283
Energy: 0.42073835497094414
Energy: 0.43636878927645656
Energy: 0.42073835497190787
Energy: 0.43636878927645656
Energy: 0.4302888477312803
Energy: 0.4791663572625145
Energy: 0.4302888477327258
Energy: 0.4791663572629964
Energy: 0.4302888477317621
Energy: 0.4791663572629964
Energy: 0.47444841336306637
Energy: 0.4310728477811658
Energy: 0.4744484133625845
Energy: 0.43107284777634736
Energy: 0.47444841336113897
Energy: 0.4310728477768291
Energy: 0.403164987106281
Energy: 0.48343929819326253
Energy: 0.40316498710676285
Energy: 0.48343929819518994
Energy: 0.4031649871057991
Energy: 0.48343929819422626
Energy: 0.43091647321868626
Energy: 0.4548203400520969
Energy: 0.43091647321772264
Energy: 0.4548203400520969
Energy: 0.43091647321675897
Energy: 0.4548203400520969
Energy: 0.44201513903507955
Energy: 0.4364024083204745
Energy: 0.4420151390341159
Energy: 0.4364024083209564
Energy: 0.44201513903363393
Energy: 0.4364024083209564
Energy: 0.4011088894340114
Energy: 0.4838785096474011
Energy: 0.4011088894325659
Energy: 0.4838785096483648
Energy: 0.40110888943352957
Energy: 0.4838785096483648
Energy: 0.43199729996989394
Energy: 0.4472073248236949
Energy: 0.43199729996989394
Energy: 0.4472073248236949
Energy: 0.4319972999703759
Energy: 0.44720732482417674
Energy: 0.4287070537150727
Energy: 0.4366808128604724
Energy: 0.428707053717482
Energy: 0.43668081285950877
Energy: 0.42870705371410905
Energy: 0.43668081285902693
Energy: 0.5310914233724809
Energy: 0.47928106842222823
Energy: 0.5310914233719991
Energy: 0.47928106842222823
Energy: 0.5310914233719991
Energy: 0.4792810684212645
Energy: 0.43272162104292144
Energy: 0.43214293048143765
Energy: 0.432721621044367
Energy: 0.4321429304804739
Energy: 0.4327216210438852
Energy: 0.43214293048143765
Energy: 0.400537783422495
Energy: 0.4827751891553263
Energy: 0.4005377834220132
Energy: 0.4827751891553263
Energy: 0.4005377834229769
Energy: 0.4827751891553263

minimum gb energy = 0.4005377834220132 eV
minimum distance =  2.33050547815896 Angstroms
sigma value = 81


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

Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.31503829596360694
Energy: 0.031190463143996403
Energy: 0.31503829596360694
Energy: 0.03119046314576682
Energy: 0.31503829596360694
Energy: 0.03119046314045556
Energy: 0.31505971482363
Energy: 0.03194552567805762
Energy: 0.31505971482185957
Energy: 0.03194552567805762
Energy: 0.31505971482363
Energy: 0.03194552567805762
Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.31503829596360694
Energy: 0.031190463147537244
Energy: 0.31503829596360694
Energy: 0.031190463147537244
Energy: 0.31503829596360694
Energy: 0.03119046314576682
Energy: 0.31505971482363
Energy: 0.03194552567451678
Energy: 0.31505971482363
Energy: 0.03194552567805762
Energy: 0.31505971482363
Energy: 0.03194552567451678
Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.31503829596360694
Energy: 0.03119046314576682
Energy: 0.31503829596360694
Energy: 0.03119046314576682
Energy: 0.31503829596360694
Energy: 0.03119046314576682
Energy: 0.31505971482363
Energy: 0.03194552567097594
Energy: 0.31505971482363
Energy: 0.03194552566920551
Energy: 0.31505971482363
Energy: 0.031945525672746354
Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.029072231774137817
Energy: 0.05834129472697002
Energy: 0.029072231774137817
Energy: 0.05834129472697002

minimum gb energy = 0.029072231774137817 eV
minimum distance =  2.5306149929235 Angstroms
sigma value = 3


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

Energy: 0.42734054540322225
Energy: 0.393622399462876
Energy: 0.427340545403752
Energy: 0.393622399462876
Energy: 0.42734054540428185
Energy: 0.393622399462876
Energy: 0.4020461079150181
Energy: 0.40395487846762085
Energy: 0.4020461079150181
Energy: 0.40395487846709105
Energy: 0.4020461079150181
Energy: 0.40395487846709105
Energy: 0.43387091657877563
Energy: 0.40294346672941633
Energy: 0.43387091657930543
Energy: 0.40294346672888653
Energy: 0.43387091657930543
Energy: 0.40294346672888653
Energy: 0.4166735672655406
Energy: 0.38491134754326223
Energy: 0.41667356726448096
Energy: 0.384911347543792
Energy: 0.4166735672650108
Energy: 0.384911347543792
Energy: 0.35072591279758786
Energy: 0.40453840614859204
Energy: 0.35072591279970705
Energy: 0.4045384061491218
Energy: 0.35072591279917725
Energy: 0.40453840614859204
Energy: 0.4203320353626145
Energy: 0.42021152166928905
Energy: 0.4203320353620847
Energy: 0.42021152166928905
Energy: 0.4203320353620847
Energy: 0.42021152166928905
Energy: 0.42609192639852134
Energy: 0.394883587057709
Energy: 0.42609192639852134
Energy: 0.3948835870587685
Energy: 0.42609192639852134
Energy: 0.39488358705823884
Energy: 0.3492894955139498
Energy: 0.40481718290068014
Energy: 0.3492894955139498
Energy: 0.40481718290121
Energy: 0.3492894955128902
Energy: 0.40481718290068014
Energy: 0.42797037928174847
Energy: 0.42987189252423347
Energy: 0.42797037928174847
Energy: 0.42987189252423347
Energy: 0.42797037928174847
Energy: 0.42987189252423347
Energy: 0.38773903286527456
Energy: 0.3857067374995143
Energy: 0.38773903286474476
Energy: 0.3857067374995143
Energy: 0.38773903286474476
Energy: 0.3857067374995143
Energy: 0.37230687318108696
Energy: 0.3921954026744326
Energy: 0.37230687318108696
Energy: 0.3921954026744326
Energy: 0.37230687318055716
Energy: 0.3921954026744326
Energy: 0.44028079285753713
Energy: 0.44733513372459344
Energy: 0.44028079285753713
Energy: 0.44733513372459344
Energy: 0.4402807928570073
Energy: 0.44733513372459344
Energy: 0.4173013565005011
Energy: 0.36567208649866134
Energy: 0.41730135649997147
Energy: 0.3656720864981315
Energy: 0.4173013564994416
Energy: 0.3656720864981315
Energy: 0.3922487561847039
Energy: 0.43917505271558416
Energy: 0.39224875618364424
Energy: 0.43917505271558416
Energy: 0.3922487561847039
Energy: 0.43917505271558416
Energy: 0.4232249645871459
Energy: 0.4349018324896142
Energy: 0.4232249645866162
Energy: 0.4349018324896142
Energy: 0.4232249645866162
Energy: 0.4349018324896142
Energy: 0.4165468501744192
Energy: 0.3540181897853248
Energy: 0.4165468501733596
Energy: 0.3540181897842652
Energy: 0.4165468501744192
Energy: 0.3540181897858546
Energy: 0.3211844009789535
Energy: 0.4432591717821211
Energy: 0.3211844009789535
Energy: 0.4432591717821211
Energy: 0.32118440097948336
Energy: 0.4432591717821211
Energy: 0.40354771477099294
Energy: 0.41279701522699813
Energy: 0.40354771477099294
Energy: 0.41279701522699813
Energy: 0.40354771477099294
Energy: 0.41279701522699813
Energy: 0.41685875614768586
Energy: 0.35028507908650436
Energy: 0.41685875614609647
Energy: 0.35028507908650436
Energy: 0.4168587561455666
Energy: 0.35028507908650436
Energy: 0.40852212462686105
Energy: 0.42409705411261156
Energy: 0.40852212462686105
Energy: 0.4240970541157663
Energy: 0.4085221246263313
Energy: 0.42409705411473075
Energy: 0.4042035878847262
Energy: 0.3995316006681051
Energy: 0.40420358788578586
Energy: 0.3995316006681051
Energy: 0.404203587885256
Energy: 0.3995316006681051
Energy: 0.40333293980687296
Energy: 0.4013537024582595
Energy: 0.40333293980687296
Energy: 0.4013537024582595
Energy: 0.40333293980687296
Energy: 0.4013537024582595
Energy: 0.4074359452659273
Energy: 0.41022369947138054
Energy: 0.4074359452659273
Energy: 0.41022369947138054
Energy: 0.4074359452653975
Energy: 0.4102236994719104
Energy: 0.4126882305885043
Energy: 0.34081951474012245
Energy: 0.41268823058956394
Energy: 0.34081951474012245
Energy: 0.4126882305900938
Energy: 0.34081951474065225
Energy: 0.4177266363225282
Energy: 0.420899889919987
Energy: 0.4177266363225282
Energy: 0.4208998899194572
Energy: 0.417726636323058
Energy: 0.420899889919987
Energy: 0.40383204050620447
Energy: 0.42013882655573725
Energy: 0.4038320405067342
Energy: 0.42013882655573725
Energy: 0.40383204050620447
Energy: 0.42013882655573725
Energy: 0.4231376571782986
Energy: 0.34083927301301575
Energy: 0.4231376571777688
Energy: 0.34083927301354555
Energy: 0.4231376571782986
Energy: 0.34083927301354555
Energy: 0.4241829660532197
Energy: 0.4367151864325509
Energy: 0.42418296605374944
Energy: 0.4367151864325509
Energy: 0.42418296605268985
Energy: 0.4367151864325509
Energy: 0.4007561768747149
Energy: 0.39957862130948996
Energy: 0.4007561768731255
Energy: 0.39957862130948996
Energy: 0.4007561768747149
Energy: 0.3995786213084545
Energy: 0.4254423803937242
Energy: 0.36706692472848235
Energy: 0.4254423803931943
Energy: 0.3670669247279525
Energy: 0.4254423803937242
Energy: 0.36706692472742275
Energy: 0.44277754846849593
Energy: 0.42749492476970946
Energy: 0.44277754846902573
Energy: 0.42749492476917966
Energy: 0.4427775484695556
Energy: 0.42749492476970946
Energy: 0.38144861875213776
Energy: 0.4197838812875662
Energy: 0.38144861875266756
Energy: 0.4197838812875662
Energy: 0.38144861875266756
Energy: 0.4197838812875662
Energy: 0.44552533419986895
Energy: 0.4079665935308594
Energy: 0.44552533419986895
Energy: 0.4079665935308594
Energy: 0.44552533420039875
Energy: 0.4079665935308594

minimum gb energy = 0.3211844009789535 eV
minimum distance =  2.39367387454263 Angstroms
sigma value = 67


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

Energy: 0.5424036545999384
Energy: 0.5404440277238532
Energy: 0.5424036546014482
Energy: 0.5404440277238532
Energy: 0.5424036546006933
Energy: 0.5404440277238532
Energy: 0.5051466924647245
Energy: 0.5156984104774343
Energy: 0.5051466924639697
Energy: 0.5156984104774343
Energy: 0.5051466924617048
Energy: 0.5156984104774343
Energy: 0.5549507632919651
Energy: 0.5320569327423037
Energy: 0.5549507632912102
Energy: 0.5320569327430587
Energy: 0.5549507632919651
Energy: 0.5320569327423037
Energy: 0.5383820271598201
Energy: 0.5133705848612782
Energy: 0.5383820271575553
Energy: 0.5133705848597683
Energy: 0.5383820271590651
Energy: 0.5133705848605233
Energy: 0.45874094654800046
Energy: 0.49436644263695917
Energy: 0.45874094654649067
Energy: 0.494366442637714
Energy: 0.45874094654649067
Energy: 0.494366442637714
Energy: 0.5378707386806363
Energy: 0.5372817319937461
Energy: 0.5378707386806363
Energy: 0.5372817319929911
Energy: 0.5378707386791265
Energy: 0.5372817319937461
Energy: 0.5368513033306127
Energy: 0.4962627209556161
Energy: 0.5368513033298579
Energy: 0.4962627209571259
Energy: 0.5368513033313677
Energy: 0.4962627209571259
Energy: 0.48495158437650326
Energy: 0.495997760254117
Energy: 0.48495158437499347
Energy: 0.495997760254117
Energy: 0.48495158437499347
Energy: 0.495997760254117
Energy: 0.5529087016128728
Energy: 0.562192683732616
Energy: 0.5529087016121179
Energy: 0.562192683733371
Energy: 0.5529087016128728
Energy: 0.562192683732616
Energy: 0.5357617742114448
Energy: 0.46906941498059485
Energy: 0.535761774209935
Energy: 0.4690694149798399
Energy: 0.5357617742106898
Energy: 0.46906941498059485
Energy: 0.5085791946043341
Energy: 0.5389718207508442
Energy: 0.5085791946058439
Energy: 0.5389718207508442
Energy: 0.5085791946043341
Energy: 0.5389718207508442
Energy: 0.502212449668235
Energy: 0.5245177339289194
Energy: 0.5022124496689897
Energy: 0.5245177339289194
Energy: 0.5022124496689897
Energy: 0.5245177339289194
Energy: 0.5302476311372595
Energy: 0.5048623666447705
Energy: 0.5302476311372595
Energy: 0.5048623666455254
Energy: 0.5302476311372595
Energy: 0.5048623666455254
Energy: 0.497602282089254
Energy: 0.5359513667919377
Energy: 0.49760228208849905
Energy: 0.5359513667919377
Energy: 0.497602282089254
Energy: 0.5359513667919377
Energy: 0.4955845981770005
Energy: 0.4975715982391606
Energy: 0.4955845981770005
Energy: 0.4975715982399155
Energy: 0.4955845981762455
Energy: 0.4975715982399155
Energy: 0.49418703921475005
Energy: 0.5130558783572473
Energy: 0.49418703921324025
Energy: 0.5130558783572473
Energy: 0.49418703921550494
Energy: 0.5130558783572473
Energy: 0.5159271938224234
Energy: 0.5362837534002974
Energy: 0.5159271938224234
Energy: 0.5362837534002974
Energy: 0.5159271938209137
Energy: 0.5362837534002974
Energy: 0.5022209231857631
Energy: 0.4955300716278782
Energy: 0.502220923187273
Energy: 0.4955300716286331
Energy: 0.5022209231842533
Energy: 0.4955300716286331
Energy: 0.5344661241482951
Energy: 0.5400832986127478
Energy: 0.5344661241482951
Energy: 0.5400832986127478
Energy: 0.5344661241475402
Energy: 0.5400832986119929
Energy: 0.4543027237411937
Energy: 0.5384150679260785
Energy: 0.4543027237427035
Energy: 0.5384150679253237
Energy: 0.4543027237419486
Energy: 0.5384150679253237
Energy: 0.5464140414086603
Energy: 0.47035577122105576
Energy: 0.5464140414079054
Energy: 0.47035577122105576
Energy: 0.5464140414079054
Energy: 0.47035577122105576
Energy: 0.5536468180937373
Energy: 0.5634482264528503
Energy: 0.5536468180922274
Energy: 0.5634482264536053
Energy: 0.5536468180907177
Energy: 0.5634482264528503
Energy: 0.47789289167583876
Energy: 0.5266812169236724
Energy: 0.47789289167734855
Energy: 0.5266812169236724
Energy: 0.4778928916765936
Energy: 0.5266812169236724

minimum gb energy = 0.4543027237411937 eV
minimum distance =  2.39778844520235 Angstroms
sigma value = 33


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

Energy: 0.6128455850020725
Energy: 0.5473653796704169
Energy: 0.6128455849992426
Energy: 0.5473653796704169
Energy: 0.612845585001158
Energy: 0.5473653796704169
Energy: 0.5677731217417297
Energy: 0.5995542038689794
Energy: 0.5677731217422085
Energy: 0.5995542038689794
Energy: 0.5677731217412507
Energy: 0.5995542038689794
Energy: 0.5967818722324829
Energy: 0.5990021485875531
Energy: 0.5967818722334407
Energy: 0.5990021485875531
Energy: 0.5967818722329619
Energy: 0.5990021485875531
Energy: 0.6104241597539819
Energy: 0.5919304872948886
Energy: 0.610424159753503
Energy: 0.5919304872948886
Energy: 0.6104241597515873
Energy: 0.5919304872953676
Energy: 0.5510095102101736
Energy: 0.5760761721392119
Energy: 0.5510095102120893
Energy: 0.5760761721387331
Energy: 0.5510095102101736
Energy: 0.5760761721387331
Energy: 0.6357856738894173
Energy: 0.6170922863489507
Energy: 0.6357856738903752
Energy: 0.6170922863489507
Energy: 0.6357856738903752
Energy: 0.6170922863489507
Energy: 0.5636311266660368
Energy: 0.5568508727290109
Energy: 0.5636311266674735
Energy: 0.5568508727290109
Energy: 0.5636311266665156
Energy: 0.5568508727290109
Energy: 0.5745378490646323
Energy: 0.6170749407443604
Energy: 0.5745378490655901
Energy: 0.6170749407443604
Energy: 0.574537849066069
Energy: 0.6170749407443604
Energy: 0.6077380700180292
Energy: 0.6132149378503313
Energy: 0.6077380700189869
Energy: 0.6132149378503313
Energy: 0.6077380700175502
Energy: 0.6132149378503313
Energy: 0.5996511810614438
Energy: 0.5947980580020301
Energy: 0.5996511810595281
Energy: 0.5947980580015512
Energy: 0.599651181060007
Energy: 0.5947980580015512
Energy: 0.6197015932345808
Energy: 0.600722345394833
Energy: 0.6197015932326652
Energy: 0.6007223453943541
Energy: 0.6197015932355386
Energy: 0.6007223453943541
Energy: 0.5649266540577023
Energy: 0.5757630184079056
Energy: 0.5649266540600967
Energy: 0.5757630184074266
Energy: 0.56492665405866
Energy: 0.5757630184079056
Energy: 0.6101529047218496
Energy: 0.5683775008159543
Energy: 0.6101529047223285
Energy: 0.5683775008159543
Energy: 0.6101529047199341
Energy: 0.5683775008159543
Energy: 0.5775463286098671
Energy: 0.5973653967425273
Energy: 0.5775463286093881
Energy: 0.5973653967425273
Energy: 0.5775463286113038
Energy: 0.5973653967420485
Energy: 0.5721227925062763
Energy: 0.5740834691648902
Energy: 0.5721227925062763
Energy: 0.5740834691648902
Energy: 0.5721227925077131
Energy: 0.5740834691644112
Energy: 0.610739022301319
Energy: 0.6062719382890237
Energy: 0.610739022301798
Energy: 0.6062719382890237
Energy: 0.6107390223008402
Energy: 0.6062719382890237
Energy: 0.5516925163327211
Energy: 0.5983328953010401
Energy: 0.5516925163341578
Energy: 0.5983328953010401
Energy: 0.5516925163331999
Energy: 0.5983328953010401
Energy: 0.6079708566112609
Energy: 0.6056252833483297
Energy: 0.6079708566107821
Energy: 0.6056252833488085
Energy: 0.6079708566107821
Energy: 0.6056252833483297
Energy: 0.5635438256141407
Energy: 0.5639382130192112
Energy: 0.5635438256150986
Energy: 0.5639382130196902
Energy: 0.5635438256150986
Energy: 0.5639382130196902
Energy: 0.5745357253408625
Energy: 0.5993283065316699
Energy: 0.5745357253413415
Energy: 0.5993283065311911
Energy: 0.5745357253408625
Energy: 0.5993283065316699
Energy: 0.6041118667406785
Energy: 0.6031329084035151
Energy: 0.6041118667406785
Energy: 0.6031329084035151
Energy: 0.6041118667416362
Energy: 0.6031329084035151
Energy: 0.572071562889865
Energy: 0.5274504910046002
Energy: 0.5720715628903439
Energy: 0.5274504910046002
Energy: 0.5720715628893861
Energy: 0.5274504910046002
Energy: 0.6012436612621386
Energy: 0.6007708486243027
Energy: 0.601243661264054
Energy: 0.6007708486238239
Energy: 0.6012436612621386
Energy: 0.6007708486247816
Energy: 0.5997365796644618
Energy: 0.5739175266014872
Energy: 0.5997365796654196
Energy: 0.5739175266014872
Energy: 0.5997365796630251
Energy: 0.5739175266014872
Energy: 0.5658114752130374
Energy: 0.5823024416337824
Energy: 0.5658114752116009
Energy: 0.5823024416333036
Energy: 0.5658114752116009
Energy: 0.5823024416333036
Energy: 0.6015804158174537
Energy: 0.604131891763312
Energy: 0.6015804158174537
Energy: 0.604131891763312
Energy: 0.601580415816496
Energy: 0.6041318917637908
Energy: 0.5637560279406383
Energy: 0.5740380881688194
Energy: 0.5637560279411171
Energy: 0.5740380881688194
Energy: 0.5637560279420749
Energy: 0.5740380881678616
Energy: 0.605840729475834
Energy: 0.6443567351965521
Energy: 0.6058407294772706
Energy: 0.6443567351960732
Energy: 0.605840729475834
Energy: 0.6443567351965521
Energy: 0.5735846330243854
Energy: 0.5763539913515368
Energy: 0.5735846330243854
Energy: 0.5763539913520157
Energy: 0.5735846330239065
Energy: 0.576353991350579
Energy: 0.5590429897116831
Energy: 0.5564664616027186
Energy: 0.5590429897097674
Energy: 0.5564664616027186
Energy: 0.5590429897078519
Energy: 0.5564664616027186
Energy: 0.6450229064941059
Energy: 0.6317322903247107
Energy: 0.6450229064921902
Energy: 0.6317322903247107
Energy: 0.645022906493148
Energy: 0.6317322903251896
Energy: 0.5503163964849507
Energy: 0.5992524165269986
Energy: 0.5503163964839929
Energy: 0.5992524165269986
Energy: 0.5503163964854296
Energy: 0.5992524165274774
Energy: 0.6044628625125815
Energy: 0.5850501434867157
Energy: 0.6044628625135393
Energy: 0.5850501434871946
Energy: 0.6044628625135393
Energy: 0.5850501434862369
Energy: 0.5724554855076504
Energy: 0.5993575199502545
Energy: 0.5724554855066927
Energy: 0.5993575199497756
Energy: 0.5724554855071715
Energy: 0.5993575199497756
Energy: 0.5735625810588364
Energy: 0.5969645422787472
Energy: 0.5735625810578786
Energy: 0.5969645422782685
Energy: 0.5735625810578786
Energy: 0.5969645422787472
Energy: 0.60642595664682
Energy: 0.5715767616569777
Energy: 0.6064259566444254
Energy: 0.5715767616588932
Energy: 0.6064259566458622
Energy: 0.5715767616560198
Energy: 0.5624176722868526
Energy: 0.5667439858312754
Energy: 0.562417672284458
Energy: 0.5667439858303176
Energy: 0.5624176722868526
Energy: 0.5667439858307965

minimum gb energy = 0.5274504910046002 eV
minimum distance =  2.37813801559939 Angstroms
sigma value = 41


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

Energy: 0.7208137930380504
Energy: 0.7152051539269271
Energy: 0.7208137930380504
Energy: 0.7152051539269271
Energy: 0.7208137930380504
Energy: 0.7152051539269271
Energy: 0.6817721562548291
Energy: 0.7033137044265743
Energy: 0.6817721562561365
Energy: 0.7033137044278818
Energy: 0.6817721562548291
Energy: 0.7033137044265743
Energy: 0.7581079653365884
Energy: 0.7011707972469419
Energy: 0.7581079653365884
Energy: 0.7011707972482494
Energy: 0.758107965337896
Energy: 0.7011707972469419
Energy: 0.7175574469405518
Energy: 0.7014175188891767
Energy: 0.7175574469405518
Energy: 0.7014175188891767
Energy: 0.7175574469405518
Energy: 0.7014175188891767
Energy: 0.6694390450534656
Energy: 0.7151907656300583
Energy: 0.6694390450534656
Energy: 0.7151907656300583
Energy: 0.6694390450547731
Energy: 0.7151907656300583
Energy: 0.737701655319814
Energy: 0.7360901014326122
Energy: 0.7377016553185064
Energy: 0.7360901014326122
Energy: 0.737701655319814
Energy: 0.7360901014326122
Energy: 0.7058560957198934
Energy: 0.6817468947792239
Energy: 0.7058560957198934
Energy: 0.6817468947792239
Energy: 0.7058560957212009
Energy: 0.6817468947792239
Energy: 0.6989152930639353
Energy: 0.7043500780739742
Energy: 0.6989152930639353
Energy: 0.7043500780752817
Energy: 0.6989152930626278
Energy: 0.7043500780739742
Energy: 0.6816407428622038
Energy: 0.6825702838601608
Energy: 0.6816407428622038
Energy: 0.6825702838601608
Energy: 0.6816407428622038
Energy: 0.6825702838601608
Energy: 0.7072423043776838
Energy: 0.6957596913725101
Energy: 0.7072423043789914
Energy: 0.6957596913738178
Energy: 0.7072423043776838
Energy: 0.6957596913725101
Energy: 0.6809204473981021
Energy: 0.7014336644787
Energy: 0.6809204473994097
Energy: 0.7014336644787
Energy: 0.6809204473981021
Energy: 0.7014336644787
Energy: 0.69515192306236
Energy: 0.7036004411510808
Energy: 0.69515192306236
Energy: 0.7036004411510808
Energy: 0.69515192306236
Energy: 0.7036004411510808
Energy: 0.7125646841501584
Energy: 0.7227529421630894
Energy: 0.7125646841501584
Energy: 0.7227529421630894
Energy: 0.7125646841501584
Energy: 0.7227529421630894
Energy: 0.6676564891691296
Energy: 0.7045523321256367
Energy: 0.6676564891704372
Energy: 0.7045523321256367
Energy: 0.6676564891691296
Energy: 0.7045523321243291

minimum gb energy = 0.6676564891691296 eV
minimum distance =  2.35735000025404 Angstroms
sigma value = 11


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

Energy: 0.825346644504207
Energy: 0.8039726063097937
Energy: 0.8253466445036325
Energy: 0.8039726063097937
Energy: 0.8253466445036325
Energy: 0.8039726063092193
Energy: 0.7641585977050764
Energy: 0.7868319270197911
Energy: 0.7641585977056509
Energy: 0.7868319270203656
Energy: 0.7641585977062253
Energy: 0.7868319270203656
Energy: 0.8311182141397001
Energy: 0.780806481276609
Energy: 0.8311182141402745
Energy: 0.780806481276609
Energy: 0.8311182141397001
Energy: 0.780806481276609
Energy: 0.7844978914080296
Energy: 0.7796334634451149
Energy: 0.7844978914069068
Energy: 0.7796334634445403
Energy: 0.7844978914074814
Energy: 0.7796334634445403
Energy: 0.8080896224433926
Energy: 0.7857569075577698
Energy: 0.8080896224439669
Energy: 0.7857569075571954
Energy: 0.8080896224433926
Energy: 0.7857569075571954
Energy: 0.783896114990497
Energy: 0.7914932957233968
Energy: 0.783896114990497
Energy: 0.7914932957228223
Energy: 0.783896114990497
Energy: 0.7914932957233968
Energy: 0.7861126730879003
Energy: 0.7814556169581557
Energy: 0.7861126730879003
Energy: 0.7814556169581557
Energy: 0.7861126730873259
Energy: 0.7814556169581557
Energy: 0.7809175181749042
Energy: 0.7855981328947539
Energy: 0.7809175181754786
Energy: 0.7855981328947539
Energy: 0.7809175181743299
Energy: 0.7855981328947539
Energy: 0.7839389269307381
Energy: 0.786649543187245
Energy: 0.7839389269307381
Energy: 0.786649543187245
Energy: 0.7839389269301635
Energy: 0.786649543187245
Energy: 0.777668271557184
Energy: 0.7961462970717074
Energy: 0.7776682715566096
Energy: 0.7961462970717074
Energy: 0.777668271557184
Energy: 0.7961462970717074
Energy: 0.7719511258127336
Energy: 0.7886928394402444
Energy: 0.7719511258138825
Energy: 0.7886928394408188
Energy: 0.7719511258138825
Energy: 0.7886928394402444
Energy: 0.8059710192911075
Energy: 0.7959762548911973
Energy: 0.8059710192916819
Energy: 0.7959762548911973
Energy: 0.8059710192911075
Energy: 0.7959762548911973
Energy: 0.7840598897830517
Energy: 0.7905999737907765
Energy: 0.7840598897830517
Energy: 0.7905999737907765
Energy: 0.7840598897824773
Energy: 0.7905999737907765
Energy: 0.8127915578392678
Energy: 0.766835977078926
Energy: 0.8127915578386934
Energy: 0.766835977078926
Energy: 0.8127915578386934
Energy: 0.766835977078926
Energy: 0.7688311566150975
Energy: 0.7708559808722011
Energy: 0.7688311566150975
Energy: 0.7708559808722011
Energy: 0.7688311566150975
Energy: 0.7708559808716268
Energy: 0.7861166479673708
Energy: 0.7870154657859263
Energy: 0.7861166479685195
Energy: 0.7870154657853519
Energy: 0.7861166479679453
Energy: 0.7870154657859263
Energy: 0.772484220927801
Energy: 0.7832934616862303
Energy: 0.7724842209272266
Energy: 0.7832934616862303
Energy: 0.772484220927801
Energy: 0.7832934616862303
Energy: 0.7880032709935663
Energy: 0.8077272163264198
Energy: 0.7880032709929918
Energy: 0.8077272163264198
Energy: 0.7880032709946889
Energy: 0.8077272163269942
Energy: 0.7827898339534217
Energy: 0.7793552572771273
Energy: 0.7827898339539962
Energy: 0.7793552572771273
Energy: 0.7827898339534217
Energy: 0.7793552572771273
Energy: 0.7813621554595441
Energy: 0.7860613394704882
Energy: 0.7813621554595441
Energy: 0.7860613394710626
Energy: 0.7813621554595441
Energy: 0.7860613394710626
Energy: 0.764059870787034
Energy: 0.7745201993648505
Energy: 0.764059870785885
Energy: 0.7745201993648505
Energy: 0.764059870785885
Energy: 0.7745201993648505
Energy: 0.7774582363571666
Energy: 0.8010440995882289
Energy: 0.7774582363588899
Energy: 0.8010440995882289
Energy: 0.7774582363577411
Energy: 0.8010440995882289
Energy: 0.7932247067911442
Energy: 0.7817151505608385
Energy: 0.793224706792293
Energy: 0.7817151505614128
Energy: 0.7932247067905698
Energy: 0.7817151505614128
Energy: 0.7995775966646972
Energy: 0.7836098698291397
Energy: 0.7995775966646972
Energy: 0.7836098698291397
Energy: 0.7995775966635482
Energy: 0.7836098698291397
Energy: 0.7794090815722753
Energy: 0.7920537259325792
Energy: 0.779409081573424
Energy: 0.7920537259325792
Energy: 0.779409081573424
Energy: 0.7920537259325792
Energy: 0.7714035798813311
Energy: 0.7853898241401938
Energy: 0.7714035798813311
Energy: 0.7853898241401938
Energy: 0.7714035798813311
Energy: 0.7853898241401938
Energy: 0.7837028666848999
Energy: 0.8175972596046853
Energy: 0.7837028666854743
Energy: 0.8175972596046853
Energy: 0.7837028666854743
Energy: 0.8175972596046853
Energy: 0.7841123383863867
Energy: 0.7735872753504248
Energy: 0.7841123383846635
Energy: 0.7735872753504248
Energy: 0.7841123383858122
Energy: 0.7735872753504248
Energy: 0.7889800310176212
Energy: 0.7676179725570321
Energy: 0.7889800310170467
Energy: 0.7676179725576066
Energy: 0.7889800310181956
Energy: 0.7676179725570321
Energy: 0.7656323949280588
Energy: 0.7645830611777115
Energy: 0.7656323949269099
Energy: 0.7645830611759883
Energy: 0.7656323949280588
Energy: 0.7645830611765627
Energy: 0.7785487406119079
Energy: 0.8238268295945238
Energy: 0.7785487406119079
Energy: 0.8238268295945238
Energy: 0.7785487406119079
Energy: 0.8238268295945238

minimum gb energy = 0.764059870785885 eV
minimum distance =  2.32867841219752 Angstroms
sigma value = 57


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

Energy: 0.7637240560439318
Energy: 0.7882485493982943
Energy: 0.7637240560449539
Energy: 0.7882485493982943
Energy: 0.7637240560439318
Energy: 0.7882485493982943
Energy: 0.7666165691120403
Energy: 0.7899318048792686
Energy: 0.7666165691110182
Energy: 0.7899318048782464
Energy: 0.7666165691120403
Energy: 0.7899318048792686
Energy: 0.8207664642801629
Energy: 0.7906785982240492
Energy: 0.8207664642811852
Energy: 0.7906785982240492
Energy: 0.8207664642811852
Energy: 0.7906785982250714
Energy: 0.7542417041522469
Energy: 0.9172674767281332
Energy: 0.7542417041522469
Energy: 0.9172674767281332
Energy: 0.7542417041512247
Energy: 0.9172674767281332
Energy: 0.8208003654183239
Energy: 0.7907081371686806
Energy: 0.8208003654183239
Energy: 0.7907081371686806
Energy: 0.8208003654183239
Energy: 0.7907081371686806
Energy: 0.766599045302324
Energy: 0.8128510317669873
Energy: 0.766599045302324
Energy: 0.812851031765965
Energy: 0.766599045302324
Energy: 0.8128510317669873
Energy: 0.7637240560449539
Energy: 0.78824854939625
Energy: 0.7637240560449539
Energy: 0.78824854939625
Energy: 0.7637240560449539
Energy: 0.78824854939625
Energy: 0.7666165691130625
Energy: 0.7899318048792686
Energy: 0.7666165691110182
Energy: 0.7899318048782464
Energy: 0.7666165691120403
Energy: 0.7899318048792686
Energy: 0.8207664642791408
Energy: 0.7906785982240492
Energy: 0.8207664642801629
Energy: 0.7906785982240492
Energy: 0.8207664642801629
Energy: 0.7906785982240492
Energy: 0.7542417041512247
Energy: 0.8602994239631925
Energy: 0.7542417041502025
Energy: 0.8602994239631925
Energy: 0.7542417041512247
Energy: 0.8602994239631925
Energy: 0.8208003654224125
Energy: 0.790708137170725
Energy: 0.8208003654224125
Energy: 0.790708137170725
Energy: 0.8208003654224125
Energy: 0.790708137170725
Energy: 0.7665990453002797
Energy: 0.8666836190951719
Energy: 0.766599045301302
Energy: 0.866683619096194
Energy: 0.766599045301302
Energy: 0.7837984038101771
Energy: 0.7637240560439318
Energy: 0.7882485493982943
Energy: 0.7637240560439318
Energy: 0.7882485493982943
Energy: 0.7637240560439318
Energy: 0.7882485493982943
Energy: 0.7666165691120403
Energy: 0.7899318048782464
Energy: 0.7666165691120403
Energy: 0.7899318048792686
Energy: 0.7666165691120403
Energy: 0.7899318048782464
Energy: 0.8207664642811852
Energy: 0.7906785982240492
Energy: 0.8207664642811852
Energy: 0.7906785982240492
Energy: 0.8207664642801629
Energy: 0.7906785982240492
Energy: 0.7542417041522469
Energy: 0.8602994239631925
Energy: 0.7542417041522469
Energy: 0.8602994239631925
Energy: 0.7542417041522469
Energy: 0.8602994239631925
Energy: 0.8208003654193462
Energy: 0.7907081371686806
Energy: 0.8208003654183239
Energy: 0.7907081371686806
Energy: 0.8208003654183239
Energy: 0.7907081371686806

minimum gb energy = 0.7542417041502025 eV
minimum distance =  2.35181996883565 Angstroms
sigma value = 9


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

Energy: 0.8049018231848644
Energy: 0.7923628109649955
Energy: 0.8049018231840299
Energy: 0.7923628109649955
Energy: 0.8049018231856989
Energy: 0.7923628109649955
Energy: 0.816837438473139
Energy: 0.8000003234576045
Energy: 0.8168374384739738
Energy: 0.8000003234576045
Energy: 0.816837438477312
Energy: 0.8000003234567699
Energy: 0.8303984276762322
Energy: 0.8003610470247068
Energy: 0.8303984276762322
Energy: 0.8003610470247068
Energy: 0.8303984276762322
Energy: 0.8003610470247068
Energy: 0.780262368977469
Energy: 0.8734124225833216
Energy: 0.7802623689783037
Energy: 0.8734124225824872
Energy: 0.780262368977469
Energy: 0.8734124225841563
Energy: 0.8217527811245977
Energy: 0.8079001928126263
Energy: 0.8217527811245977
Energy: 0.8079001928126263
Energy: 0.8217527811245977
Energy: 0.8079001928126263
Energy: 0.8385566452387505
Energy: 0.7845808861106126
Energy: 0.8385566452379158
Energy: 0.7845808861106126
Energy: 0.8385566452387505
Energy: 0.7845808861106126
Energy: 0.7786373752442923
Energy: 0.8502589032857496
Energy: 0.7786373752442923
Energy: 0.8502589032857496
Energy: 0.7786373752451269
Energy: 0.8502589032857496
Energy: 0.8030482853894302
Energy: 0.836499237813965
Energy: 0.8030482853885956
Energy: 0.8364992378147997
Energy: 0.8030482853877611
Energy: 0.836499237813965
Energy: 0.8636955417111035
Energy: 0.8075103579874198
Energy: 0.8636955417102689
Energy: 0.8075103579874198
Energy: 0.8636955417111035
Energy: 0.8075103579874198
Energy: 0.7801852100836651
Energy: 0.8186860773294081
Energy: 0.7801852100853344
Energy: 0.8186860773294081
Energy: 0.7801852100844997
Energy: 0.8186860773294081
Energy: 0.8204643135540624
Energy: 0.8167012495107734
Energy: 0.8204643135523931
Energy: 0.8167012495107734
Energy: 0.8204643135532278
Energy: 0.8167012495099388
Energy: 0.8436009931075358
Energy: 0.7839469677899438
Energy: 0.843600993109205
Energy: 0.7839469677899438
Energy: 0.8436009931075358
Energy: 0.7839469677899438
Energy: 0.7842325682498846
Energy: 0.8674871689876263
Energy: 0.7842325682490502
Energy: 0.8674871689876263
Energy: 0.7842325682498846
Energy: 0.8674871689876263
Energy: 0.8066366960295408
Energy: 0.8238791459438422
Energy: 0.8066366960295408
Energy: 0.8238791459438422
Energy: 0.8066366960303755
Energy: 0.8238791459430075
Energy: 0.86630260144068
Energy: 0.782708316099488
Energy: 0.8663026014415147
Energy: 0.7827083160986533
Energy: 0.8663026014415147
Energy: 0.7827083160986533
Energy: 0.8072084870754713
Energy: 0.8342374978744398
Energy: 0.8072084870746368
Energy: 0.8342374978744398
Energy: 0.8072084870754713
Energy: 0.8342374978744398
Energy: 0.8112310199232866
Energy: 0.8453487638359907
Energy: 0.8112310199232866
Energy: 0.8453487638368251
Energy: 0.8112310199232866
Energy: 0.8453487638368251
Energy: 0.9016087518207737
Energy: 0.7840953981524239
Energy: 0.9016087518216084
Energy: 0.7840953981524239
Energy: 0.9016087518216084
Energy: 0.7840953981524239
Energy: 0.8119071237352644
Energy: 0.823766033802678
Energy: 0.81190712373443
Energy: 0.8237660338018434
Energy: 0.81190712373443
Energy: 0.823766033802678
Energy: 0.7904491042880275
Energy: 0.7944541912696335
Energy: 0.7904491042871928
Energy: 0.7944541912704299
Energy: 0.7904491042871928
Energy: 0.7944541912704299
Energy: 0.8523396987890746
Energy: 0.788677095999577
Energy: 0.8523396987899091
Energy: 0.7886770960004117
Energy: 0.8523396987890746
Energy: 0.788677095999577

minimum gb energy = 0.7786373752442923 eV
minimum distance =  2.34671922341992 Angstroms
sigma value = 27


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

Energy: 0.7948741416740301
Energy: 0.8213089043397177
Energy: 0.7948741416733265
Energy: 0.8213089043404213
Energy: 0.7948741416733265
Energy: 0.8213089043411248
Energy: 0.7858984920219423
Energy: 0.783407591030788
Energy: 0.7858984920233494
Energy: 0.7834075910314916
Energy: 0.7858984920219423
Energy: 0.783407591030788
Energy: 0.8095507389548094
Energy: 0.8024616654717475
Energy: 0.8095507389548094
Energy: 0.8024616654717475
Energy: 0.809550738954106
Energy: 0.8024616654717475
Energy: 0.7753984224231305
Energy: 0.7894550699989481
Energy: 0.7753984224224271
Energy: 0.7894550699989481
Energy: 0.7753984224224271
Energy: 0.7894550699989481
Energy: 0.7752251265846356
Energy: 0.8052606965264701
Energy: 0.7752251265853392
Energy: 0.8052606965264701
Energy: 0.7752251265846356
Energy: 0.8052606965271737
Energy: 0.8001434854532531
Energy: 0.7652561874220167
Energy: 0.8001434854532531
Energy: 0.7652561874220167
Energy: 0.8001434854532531
Energy: 0.7652561874220167
Energy: 0.7655101583382675
Energy: 0.8058868784234038
Energy: 0.7655101583382675
Energy: 0.8058868784227001
Energy: 0.7655101583382675
Energy: 0.8058868784234038
Energy: 0.7876895870582763
Energy: 0.810687227718398
Energy: 0.7876895870582763
Energy: 0.8106872277176944
Energy: 0.7876895870596832
Energy: 0.810687227718398
Energy: 0.8069486849717166
Energy: 0.7652360534940168
Energy: 0.8069486849717166
Energy: 0.7652360534940168
Energy: 0.8069486849717166
Energy: 0.7652360534940168
Energy: 0.7627917809281116
Energy: 0.8124840356814454
Energy: 0.7627917809288152
Energy: 0.8124840356814454
Energy: 0.7627917809281116
Energy: 0.8124840356814454
Energy: 0.7630111650210928
Energy: 0.8055378088456163
Energy: 0.7630111650217962
Energy: 0.8055378088456163
Energy: 0.7630111650203892
Energy: 0.8055378088456163
Energy: 0.8064574231867422
Energy: 0.7654137612814808
Energy: 0.8064574231860387
Energy: 0.7654137612821843
Energy: 0.8064574231867422
Energy: 0.7654137612814808
Energy: 0.8064384788161303
Energy: 0.7929077186723711
Energy: 0.8064384788154267
Energy: 0.7929077186730746
Energy: 0.8064384788147233
Energy: 0.7929077186716678
Energy: 0.7652226009125321
Energy: 0.8041150549320091
Energy: 0.7652226009118287
Energy: 0.8041150549320091
Energy: 0.7652226009118287
Energy: 0.8041150549320091
Energy: 0.8039092788947453
Energy: 0.7651192647643152
Energy: 0.8039092788947453
Energy: 0.7651192647643152
Energy: 0.8039092788940417
Energy: 0.7651192647643152
Energy: 0.7920747130027594
Energy: 0.7935090354086195
Energy: 0.7920747130027594
Energy: 0.7935090354079162
Energy: 0.792074713002056
Energy: 0.7935090354079162
Energy: 0.775406325134903
Energy: 0.8088683789933614
Energy: 0.775406325134903
Energy: 0.8088683789933614
Energy: 0.7754063251341996
Energy: 0.8088683789926578
Energy: 0.7881506851035318
Energy: 0.7974895939959655
Energy: 0.7881506851035318
Energy: 0.7974895939959655
Energy: 0.7881506851021247
Energy: 0.7974895939959655
Energy: 0.7870729020048938
Energy: 0.7733564917792379
Energy: 0.7870729020048938
Energy: 0.7733564917799413
Energy: 0.7870729020048938
Energy: 0.7733564917806449
Energy: 0.7948741416719197
Energy: 0.8213089043446423
Energy: 0.7948741416726229
Energy: 0.8213089043439387
Energy: 0.7948741416719197
Energy: 0.8213089043439387
Energy: 0.7858984920219423
Energy: 0.7834075910314916
Energy: 0.7858984920240526
Energy: 0.7834075910321951
Energy: 0.7858984920233494
Energy: 0.7834075910314916
Energy: 0.8095507389562164
Energy: 0.8024616654703406
Energy: 0.80955073895692
Energy: 0.8024616654703406
Energy: 0.8095507389555129
Energy: 0.8024616654703406
Energy: 0.7753984224245375
Energy: 0.7894550699982446
Energy: 0.7753984224238339
Energy: 0.7894550699982446
Energy: 0.7753984224238339
Energy: 0.789455069997541
Energy: 0.7752251265832286
Energy: 0.8052606965215459
Energy: 0.7752251265825251
Energy: 0.8052606965208422
Energy: 0.7752251265825251
Energy: 0.8052606965215459
Energy: 0.8001434854553635
Energy: 0.7652561874220167
Energy: 0.8001434854567704
Energy: 0.7652561874220167
Energy: 0.8001434854553635
Energy: 0.7652561874220167

minimum gb energy = 0.7627917809281116 eV
minimum distance =  2.36182093607048 Angstroms
sigma value = 19


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

Energy: 0.7768189523889528
Energy: 0.8055515355568101
Energy: 0.7768189523883456
Energy: 0.8055515355568101
Energy: 0.7768189523889528
Energy: 0.8055515355568101
Energy: 0.7713659246316715
Energy: 0.7698119325592844
Energy: 0.7713659246328586
Energy: 0.769811932558677
Energy: 0.7713659246328586
Energy: 0.769811932558677
Energy: 0.7998134731902511
Energy: 0.7398313132627776
Energy: 0.7998134731914656
Energy: 0.7398313132627776
Energy: 0.7998134731902511
Energy: 0.7398313132621703
Energy: 0.7497779158633506
Energy: 0.7896415871547678
Energy: 0.7497779158639578
Energy: 0.7896415871541604
Energy: 0.7497779158639578
Energy: 0.7896415871547678
Energy: 0.7693148238041901
Energy: 0.773714527117926
Energy: 0.7693148238029756
Energy: 0.773714527117926
Energy: 0.7693148238035828
Energy: 0.773714527117926
Energy: 0.7810320084158752
Energy: 0.7538313628772801
Energy: 0.7810320084158752
Energy: 0.753831362876673
Energy: 0.7810320084158752
Energy: 0.753831362876673
Energy: 0.749041991289015
Energy: 0.7875559967358753
Energy: 0.7490419912896223
Energy: 0.7875559967364826
Energy: 0.749041991289015
Energy: 0.7875559967364826
Energy: 0.7666378969337009
Energy: 0.7961344478576929
Energy: 0.7666378969337009
Energy: 0.7961344478576929
Energy: 0.7666378969343082
Energy: 0.7961344478576929
Energy: 0.8152052226871743
Energy: 0.744119616917391
Energy: 0.8152052226877815
Energy: 0.744119616917391
Energy: 0.8152052226883888
Energy: 0.744119616917391
Energy: 0.7676431319286227
Energy: 0.76564766419636
Energy: 0.7676431319280155
Energy: 0.76564766419636
Energy: 0.7676431319274082
Energy: 0.76564766419636
Energy: 0.7470532856694718
Energy: 0.8113697251335783
Energy: 0.7470532856676502
Energy: 0.8113697251335783
Energy: 0.7470532856688646
Energy: 0.8113697251335783
Energy: 0.7779061698997517
Energy: 0.7441721314366997
Energy: 0.7779061698997517
Energy: 0.7441721314366997
Energy: 0.7779061699003591
Energy: 0.7441721314366997
Energy: 0.7530236325327156
Energy: 0.7532751783628019
Energy: 0.7530236325321084
Energy: 0.7532751783628019
Energy: 0.7530236325308938
Energy: 0.7532751783628019
Energy: 0.7473363530142448
Energy: 0.7905805165041172
Energy: 0.7473363530136377
Energy: 0.7905805165035099
Energy: 0.7473363530148522
Energy: 0.7905805165035099
Energy: 0.7830112950550785
Energy: 0.7482219799557114
Energy: 0.7830112950556858
Energy: 0.7482219799551042
Energy: 0.7830112950550785
Energy: 0.7482219799557114
Energy: 0.8125687183602087
Energy: 0.7395295041328132
Energy: 0.8125687183596013
Energy: 0.7395295041328132
Energy: 0.8125687183608158
Energy: 0.7395295041328132
Energy: 0.7497210981678697
Energy: 0.7874457987782606
Energy: 0.749721098168477
Energy: 0.7874457987782606
Energy: 0.749721098168477
Energy: 0.7874457987782606
Energy: 0.777169595370245
Energy: 0.7867223480346012
Energy: 0.7771695953708522
Energy: 0.7867223480346012
Energy: 0.777169595370245
Energy: 0.7867223480346012
Energy: 0.797507441373678
Energy: 0.7542362319859693
Energy: 0.7975074413730707
Energy: 0.7542362319859693
Energy: 0.797507441373678
Energy: 0.7542362319859693
Energy: 0.7504762989348326
Energy: 0.7839574121763562
Energy: 0.7504762989348326
Energy: 0.7839574121763562
Energy: 0.750476298933618
Energy: 0.7839574121763562
Energy: 0.7429236785061526
Energy: 0.7999029609798094
Energy: 0.7429236785073672
Energy: 0.7999029609792022
Energy: 0.7429236785061526
Energy: 0.7999029609798094
Energy: 0.8243297314187502
Energy: 0.7401002119077243
Energy: 0.8243297314181429
Energy: 0.7401002119077243
Energy: 0.8243297314187502
Energy: 0.7401002119077243
Energy: 0.7789482138290919
Energy: 0.7597382823687727
Energy: 0.7789482138284847
Energy: 0.7597382823693799
Energy: 0.7789482138290919
Energy: 0.7597382823687727
Energy: 0.7781481189567454
Energy: 0.8078537019746875
Energy: 0.7781481189567454
Energy: 0.8078537019746875
Energy: 0.7781481189573526
Energy: 0.8078537019740802
Energy: 0.8036279811423056
Energy: 0.7460063224246821
Energy: 0.8036279811416984
Energy: 0.7460063224246821
Energy: 0.8036279811416984
Energy: 0.7460063224240749
Energy: 0.7646491963658649
Energy: 0.7551013764569319
Energy: 0.7646491963652577
Energy: 0.7551013764569319
Energy: 0.7646491963646505
Energy: 0.7551013764569319
Energy: 0.7423616747168865
Energy: 0.8090190133310513
Energy: 0.7423616747162793
Energy: 0.8090190133310513
Energy: 0.7423616747168865
Energy: 0.8090190133310513
Energy: 0.7806354235064135
Energy: 0.7590066220946999
Energy: 0.7806354235058062
Energy: 0.7590066220953072
Energy: 0.7806354235064135
Energy: 0.7590066220953072
Energy: 0.7994522640184378
Energy: 0.7535601668000967
Energy: 0.7994522640208669
Energy: 0.7535601668000967
Energy: 0.7994522640202597
Energy: 0.7535601668000967

minimum gb energy = 0.7395295041328132 eV
minimum distance =  2.31977862932082 Angstroms
sigma value = 101


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

Energy: 0.7545043168170433
Energy: 0.7673621828871467
Energy: 0.7545043168170433
Energy: 0.7673621828871467
Energy: 0.7545043168165096
Energy: 0.7673621828871467
Energy: 0.7599456259194455
Energy: 0.7448561078058481
Energy: 0.7599456259194455
Energy: 0.7448561078053143
Energy: 0.7599456259194455
Energy: 0.7448561078058481
Energy: 0.7533911734118653
Energy: 0.7099404683531672
Energy: 0.7533911734123991
Energy: 0.7099404683531672
Energy: 0.7533911734118653
Energy: 0.7099404683531672
Energy: 0.7056259078188013
Energy: 0.7724938643988326
Energy: 0.7056259078188013
Energy: 0.7724938643988326
Energy: 0.7056259078182674
Energy: 0.7724938643988326
Energy: 0.7361807430752985
Energy: 0.7278215030162644
Energy: 0.7361807430758324
Energy: 0.7278215030167982
Energy: 0.7361807430747647
Energy: 0.7278215030162644
Energy: 0.7573615344392881
Energy: 0.7099534366877766
Energy: 0.7573615344392881
Energy: 0.7099534366877766
Energy: 0.7573615344398219
Energy: 0.7099534366872428
Energy: 0.7213371728302594
Energy: 0.7612906735653374
Energy: 0.7213371728286582
Energy: 0.7612906735648037
Energy: 0.7213371728281243
Energy: 0.7612906735648037
Energy: 0.7096229883752899
Energy: 0.7560397311272713
Energy: 0.7096229883736884
Energy: 0.7560397311272713
Energy: 0.7096229883742223
Energy: 0.7560397311278051
Energy: 0.7571886448307009
Energy: 0.7056868051821695
Energy: 0.7571886448307009
Energy: 0.7056868051821695
Energy: 0.7571886448296333
Energy: 0.7056868051821695
Energy: 0.7374787734020045
Energy: 0.7620331152336173
Energy: 0.7374787734014707
Energy: 0.7620331152336173
Energy: 0.7374787734025383
Energy: 0.7620331152336173
Energy: 0.7105011363761127
Energy: 0.8425783783509291
Energy: 0.7105011363771804
Energy: 0.8425783783509291
Energy: 0.7105011363766466
Energy: 0.8425783783509291
Energy: 0.7700759484995886
Energy: 0.74412095897834
Energy: 0.7700759485006562
Energy: 0.7441209589772724
Energy: 0.7700759485001224
Energy: 0.7441209589778062
Energy: 0.7509712266583696
Energy: 0.709748769071892
Energy: 0.7509712266578358
Energy: 0.709748769071892
Energy: 0.7509712266583696
Energy: 0.709748769071892
Energy: 0.7399969180037039
Energy: 0.7676490470063412
Energy: 0.7399969180037039
Energy: 0.7676490470063412
Energy: 0.7399969180037039
Energy: 0.7676490470063412
Energy: 0.7578823973035825
Energy: 0.7245408870391817
Energy: 0.7578823973041163
Energy: 0.7245408870391817
Energy: 0.7578823973019811
Energy: 0.7245408870391817
Energy: 0.7531002960420067
Energy: 0.7091531021616543
Energy: 0.7531002960414728
Energy: 0.7091531021616543
Energy: 0.7531002960420067
Energy: 0.7091531021611205
Energy: 0.708579138736038
Energy: 0.7709994434981803
Energy: 0.7085791387339028
Energy: 0.7709994434981803
Energy: 0.708579138736038
Energy: 0.7709994434981803
Energy: 0.7096433570127719
Energy: 0.7268802790439355
Energy: 0.7096433570133057
Energy: 0.7268802790444694
Energy: 0.709643357012238
Energy: 0.7268802790439355
Energy: 0.7579145037109469
Energy: 0.7057479441196817
Energy: 0.7579145037114807
Energy: 0.7057479441196817
Energy: 0.7579145037104131
Energy: 0.7057479441196817
Energy: 0.7351056561712604
Energy: 0.7608119962624948
Energy: 0.7351056561712604
Energy: 0.7608119962624948
Energy: 0.7351056561712604
Energy: 0.7608119962624948
Energy: 0.709380394638717
Energy: 0.8461308201372606
Energy: 0.7093803946381833
Energy: 0.8461308201372606
Energy: 0.709380394638717
Energy: 0.8461308201372606
Energy: 0.764435075848381
Energy: 0.7080271520073382
Energy: 0.764435075848381
Energy: 0.7080271520068044
Energy: 0.7644350758494486
Energy: 0.7080271520068044
Energy: 0.7768538987178398
Energy: 0.7090994262876408
Energy: 0.7768538987157046
Energy: 0.7090994262876408
Energy: 0.7768538987178398
Energy: 0.7090994262876408
Energy: 0.705527867936358
Energy: 0.7831375479803508
Energy: 0.7055278679368918
Energy: 0.7831375479814185
Energy: 0.705527867936358
Energy: 0.783137547979817
Energy: 0.7665869834625055
Energy: 0.7215408371511722
Energy: 0.7665869834635732
Energy: 0.7215408371511722
Energy: 0.7665869834625055
Energy: 0.7215408371511722
Energy: 0.7493958157071294
Energy: 0.7091476724940083
Energy: 0.749395815705528
Energy: 0.7091476724940083
Energy: 0.7493958157071294
Energy: 0.7091476724940083
Energy: 0.7399340447436656
Energy: 0.768935123686442
Energy: 0.7399340447425979
Energy: 0.768935123686442
Energy: 0.7399340447436656
Energy: 0.768935123686442
Energy: 0.7399289040532341
Energy: 0.7257902858343502
Energy: 0.7399289040527003
Energy: 0.7257902858343502
Energy: 0.7399289040532341
Energy: 0.7257902858343502
Energy: 0.7848696787071955
Energy: 0.7060459235931144
Energy: 0.7848696787056184
Energy: 0.7060459235931144
Energy: 0.7848696787061522
Energy: 0.7060459235925806
Energy: 0.7093308987783303
Energy: 0.7695157028395413
Energy: 0.709330898779398
Energy: 0.7695157028395413
Energy: 0.7093308987777965
Energy: 0.7695157028395413
Energy: 0.7089009981580443
Energy: 0.7611571511654613
Energy: 0.7089009981591119
Energy: 0.7611571511654613
Energy: 0.7089009981591119
Energy: 0.7611571511654613
Energy: 0.7733995544533789
Energy: 0.7086240989986472
Energy: 0.7733995544533789
Energy: 0.7086240989981135
Energy: 0.7733995544533789
Energy: 0.7086240989981135
Energy: 0.7638457378596513
Energy: 0.7087078139836709
Energy: 0.7638457378612526
Energy: 0.7087078139836709
Energy: 0.7638457378601851
Energy: 0.7087078139836709

minimum gb energy = 0.705527867936358 eV
minimum distance =  2.32529020179357 Angstroms
sigma value = 33


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

Energy: 0.015489591727032188
Energy: 0.5816669508371348
Energy: 0.015489591727475705
Energy: 0.5816669508371348
Energy: 0.015489591727475705
Energy: 0.5816669508371348
Energy: 0.016542885679118862
Energy: 0.2152430693627316
Energy: 0.016542885679118862
Energy: 0.2152430693627316
Energy: 0.016542885679118862
Energy: 0.21524306936228815
Energy: 0.8567202133608047
Energy: 0.2153268268941755
Energy: 0.8567202133647225
Energy: 0.21532682688811408
Energy: 0.8567202133547432
Energy: 0.21532682689158833
Energy: 0.016542885680424776
Energy: 0.21524306936228815
Energy: 0.016542885680424776
Energy: 0.2152430693627316
Energy: 0.016542885680424776
Energy: 0.21524306936228815

minimum gb energy = 0.015489591727032188 eV
minimum distance =  2.54575198032026 Angstroms
sigma value = 1