Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Au__MO_684444719999_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080053400993348
cohesive_energy=3.9303141206022922
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.068807226011498e-19, 1.72237192508268e-19, 2.2702682686116596e-19, 2.75048867112048e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57767499159944e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29041783511178e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06388753471942e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.8571615914122e-19, 1.9324813688654397e-19, 7.75272444896358e-20, -6.808321432052279e-20, -2.52634416002388e-19, -4.88748788731602e-19, -7.94386412139978e-19, -1.1952926625592618e-18, -1.72852428335724e-18, -2.4493275292274997e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011899075862041378
Energy: 0.013080468371974746
Energy: 0.012768444719835327
Energy: 0.013796097423242929
Energy: 0.25488219231959935
Energy: 0.012312848888195524
Energy: 0.013080468372685963
Energy: 0.0644491769333165
Energy: 0.06447271120322468
Energy: 0.06455163874958068
Energy: 0.06441571178324626
Energy: 0.06446049057862246
Energy: 0.012768444720081517
Energy: 0.06447271119936769
Energy: 0.06438177214855764
Energy: 0.01241245466965271
Energy: 0.06443328830940558
Energy: 0.06545914574865841
Energy: 0.013796097423242929
Energy: 0.06455163875702112
Energy: 0.012412454670145092
Energy: 0.012230473241225401
Energy: 0.06448295955482854
Energy: 0.012336021601525861
Energy: 0.2548821923239214
Energy: 0.06441571178010048
Energy: 0.06443328830869435
Energy: 0.06448295956131156
Energy: 0.06447999891408754
Energy: 0.06433140157865727
Energy: 0.012312848888441716
Energy: 0.0644604905733157
Energy: 0.06545914575202302
Energy: 0.012336021601990889
Energy: 0.06433140158152952
Energy: 0.012428081024098262

minimum gb energy = 0.011899075862041378 eV
minimum distance =  2.87914455735697 Angstroms
sigma value = 1


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

Energy: 0.7958018360250602
Energy: 0.5154559901395633
Energy: 0.5159999322754386
Energy: 0.49803540875854657
Energy: 0.7431029158280315
Energy: 0.5162747572591131
Energy: 0.7336880384407928
Energy: 0.48097402716837107
Energy: 0.48441303663633345
Energy: 0.46723203451711726
Energy: 0.48990178618155666
Energy: 0.4783950326393105
Energy: 0.7208935281815685
Energy: 0.48052177673218055
Energy: 0.48224749467358835
Energy: 0.4789503262034002
Energy: 0.4781686858293324
Energy: 0.4832199243149157
Energy: 0.7766236531158314
Energy: 0.48021229272348287
Energy: 0.4979924500347457
Energy: 0.4717350118466721
Energy: 0.4804084938072517
Energy: 0.47978334018912916
Energy: 0.708683958074121
Energy: 0.48653735968222633
Energy: 0.48507212900446967
Energy: 0.4759559921808142
Energy: 0.48763893130798436
Energy: 0.48257107455225173
Energy: 0.7050504819581179
Energy: 0.4975194185330288
Energy: 0.4857273755544989
Energy: 0.47922051564989565
Energy: 0.49816644326433746
Energy: 0.48480452372239874
Energy: 0.7062704370938493
Energy: 0.4832267346838875
Energy: 0.48820344470816734
Energy: 0.4786148011649354
Energy: 0.4578653149538573
Energy: 0.47974323070104563
Energy: 0.6959663140302554
Energy: 0.4810352398676904
Energy: 0.49725640223043005
Energy: 0.4578422194807678
Energy: 0.4803611776577783
Energy: 0.48259048115779846
Energy: 0.5849393827820274
Energy: 0.4789136952390774
Energy: 0.4787410893849608
Energy: 0.4949988953929522
Energy: 0.48317799649673454
Energy: 0.4835903297509662
Energy: 0.591155419895186
Energy: 0.4764735234763991
Energy: 0.4831866982994078
Energy: 0.48183585840918264
Energy: 0.4767476606534722
Energy: 0.4858070945768171
Energy: 0.5835769867400851
Energy: 0.4775331231507529
Energy: 0.4781328079909855
Energy: 0.5164260949772415
Energy: 0.47736488433318397
Energy: 0.4815903870640826
Energy: 0.5336048491125207
Energy: 0.48343730142470653
Energy: 0.48272412795386843
Energy: 0.48714306657151585
Energy: 0.4771040927763164
Energy: 0.4824665899413464
Energy: 0.5297769398577278
Energy: 0.47799364281333817
Energy: 0.4782283334658761
Energy: 0.4858644311874577
Energy: 0.4777740612484769
Energy: 0.47865995561586966
Energy: 0.5721818123440481
Energy: 0.4756499828883984
Energy: 0.4986735646995469
Energy: 0.4900609171453831
Energy: 0.48615328599668933
Energy: 0.4809361497532363
Energy: 0.5529175766011067
Energy: 0.47607209135257733
Energy: 0.4829115803712539
Energy: 0.4917657892823266
Energy: 0.4762986631852311
Energy: 0.4852998505231089
Energy: 0.5482917065689737
Energy: 0.4819078071698853
Energy: 0.4796484232836642
Energy: 0.4857420304887294
Energy: 0.48323096120526676
Energy: 0.4788791960126581
Energy: 0.6643519896410075
Energy: 0.47873101400503054
Energy: 0.48153391407899926
Energy: 0.47700479201191526
Energy: 0.4779529287579709
Energy: 0.4751567344121173
Energy: 0.6429305281241767
Energy: 0.48139979395395655
Energy: 0.4902637900601248
Energy: 0.48518851167506805
Energy: 0.4536475386590247
Energy: 0.4918130509833555
Energy: 0.6442527787947269
Energy: 0.4939776889492756
Energy: 0.49208953867406846
Energy: 0.4817891017425199
Energy: 0.48536907137399815
Energy: 0.49150238663101725
Energy: 0.6838378885976852
Energy: 0.48555247707163673
Energy: 0.4925884409956699
Energy: 0.4808153968852052
Energy: 0.48579640955124065
Energy: 0.4917832194248425
Energy: 0.7325332141822556
Energy: 0.4805806935030902
Energy: 0.48233431862137033
Energy: 0.4767266407792811
Energy: 0.47299861128216
Energy: 0.48149932975122134
Energy: 0.7394362769923403
Energy: 0.4815279738617525
Energy: 0.48363499248945424
Energy: 0.4758572426166617
Energy: 0.4750878598685945
Energy: 0.47950003346453973
Energy: 0.7328562306232845
Energy: 0.4817803693527662
Energy: 0.4843890729562024
Energy: 0.477189170371803
Energy: 0.4929788308376097
Energy: 0.4777628094876494

minimum gb energy = 0.4536475386590247 eV
minimum distance =  2.69217690319323 Angstroms
sigma value = 33


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

Energy: 0.9151314340423581
Energy: 0.5530606166178818
Energy: 0.5288894032101854
Energy: 0.5302603544984884
Energy: 0.5179595262767699
Energy: 0.5520577386198613
Energy: 0.6231506644986685
Energy: 0.48405616547376945
Energy: 0.48644554657510997
Energy: 0.5041774250976417
Energy: 0.5111820793088683
Energy: 0.4896569589348738
Energy: 0.6884908634047616
Energy: 0.48918986384212804
Energy: 0.48815468550714386
Energy: 0.5232800484956622
Energy: 0.5159040284556443
Energy: 0.4963571180115647
Energy: 0.7248057571720156
Energy: 0.548372976619063
Energy: 0.4957923280347234
Energy: 0.5069224836997813
Energy: 0.5182882490396227
Energy: 0.5134342948028972
Energy: 0.6909499925608484
Energy: 0.48558249899472644
Energy: 0.49284287824504713
Energy: 0.4803179824635269
Energy: 0.5139333373816242
Energy: 0.5118563309041914
Energy: 0.7364772590745289
Energy: 0.5005367323095127
Energy: 0.5047754960426756
Energy: 0.4865259590564235
Energy: 0.5120667093657412
Energy: 0.5422300424128306
Energy: 0.7354466494628882
Energy: 0.5317198893394427
Energy: 0.5319968917072052
Energy: 0.5373357793325292
Energy: 0.5329034071535765
Energy: 0.5411710316003812
Energy: 0.6911308562707035
Energy: 0.5271507932324221
Energy: 0.530203045426468
Energy: 0.4894840940080708
Energy: 0.528017592449862
Energy: 0.50166742734419
Energy: 0.6140731055308407
Energy: 0.5083127156850993
Energy: 0.5373298525022185
Energy: 0.5549554550814059
Energy: 0.5060615981990912
Energy: 0.5409351441465428
Energy: 0.6104715783035205
Energy: 0.5489599420911612
Energy: 0.5485777716055569
Energy: 0.5451302662077642
Energy: 0.5157918217760177
Energy: 0.5489149975441828
Energy: 0.6202765788917118
Energy: 0.49799632382686965
Energy: 0.4981322561163918
Energy: 0.5167621235573184
Energy: 0.4701549498905561
Energy: 0.4982609018187733
Energy: 0.5702993524341876
Energy: 0.47179459807702906
Energy: 0.5333067274477764
Energy: 0.5569047799891502
Energy: 0.5038536771205525
Energy: 0.5358242116954697
Energy: 0.5698345605928643
Energy: 0.5309924619951528
Energy: 0.5308596630800476
Energy: 0.5639647872864911
Energy: 0.5372613805761071
Energy: 0.5391321628262676
Energy: 0.5767108834291115
Energy: 0.5164043007608035
Energy: 0.5144485578557421
Energy: 0.5716208269149909
Energy: 0.5070265638798295
Energy: 0.5161436119670838
Energy: 0.6151469689425052
Energy: 0.5348027461276078
Energy: 0.5480098633135214
Energy: 0.5591376364131933
Energy: 0.535439503278035
Energy: 0.5329052769035478
Energy: 0.6089009465647682
Energy: 0.5379743557934473
Energy: 0.5468652871876599
Energy: 0.5470297088020396
Energy: 0.538713049790355
Energy: 0.5409660234583342
Energy: 0.6917647437168846
Energy: 0.5410731866383438
Energy: 0.5359579092289672
Energy: 0.5451848054878892
Energy: 0.5407843410691419
Energy: 0.5369297712576462
Energy: 0.6466237920354617
Energy: 0.515194888729488
Energy: 0.5150273115810619
Energy: 0.5005708689651001
Energy: 0.514993425028779
Energy: 0.5282258659213949
Energy: 0.6479365911648811
Energy: 0.5515225362787763
Energy: 0.546837892773956
Energy: 0.5075674109078373
Energy: 0.5542613265805839
Energy: 0.5516142739404714
Energy: 0.7062588768263379
Energy: 0.5308581760405995
Energy: 0.5482538633650494
Energy: 0.5347197843758518
Energy: 0.5376372830098961
Energy: 0.5489703067366115
Energy: 0.781473478645477
Energy: 0.5461081907502167
Energy: 0.49806047618303234
Energy: 0.498303131738739
Energy: 0.5462990075709852
Energy: 0.4979651661060291
Energy: 0.6119526913103793
Energy: 0.5441974542969056
Energy: 0.5353120286357835
Energy: 0.4703203891380322
Energy: 0.5553070696253497
Energy: 0.5337469147669291
Energy: 0.7112753123352489
Energy: 0.5258921389659361
Energy: 0.5264902938331868
Energy: 0.542165198383608
Energy: 0.5618175090656332
Energy: 0.5445937100782335
Energy: 0.7248071350824533
Energy: 0.5598417801880845
Energy: 0.5603533251928147
Energy: 0.5144414119368618
Energy: 0.5692558696983245
Energy: 0.523292453870934
Energy: 0.6952671767650095
Energy: 0.5314475964842637
Energy: 0.5376199501090131
Energy: 0.5382103699243934
Energy: 0.5437508731750526
Energy: 0.5501314347240621
Energy: 0.7418632656102359
Energy: 0.5532795991718262
Energy: 0.5363101225483488
Energy: 0.5483235043623912
Energy: 0.5542121634602878
Energy: 0.5370912795078713
Energy: 0.7355156033916543
Energy: 0.5446084574719684
Energy: 0.5377671900823614
Energy: 0.5493118172473255
Energy: 0.5382785639903375
Energy: 0.5506294592675921
Energy: 0.6925480590570937
Energy: 0.5059041700112384
Energy: 0.5284764044758907
Energy: 0.52214606962341
Energy: 0.5044021604393467
Energy: 0.5375171241824929
Energy: 0.6119285826484111
Energy: 0.5016219179593173
Energy: 0.5287230238150943
Energy: 0.5318536207124254
Energy: 0.5055240353104024
Energy: 0.5473576306280838
Energy: 0.6156100099714629
Energy: 0.5353560670242934
Energy: 0.5479707604839631
Energy: 0.5359799032834761
Energy: 0.5314707573560086
Energy: 0.5440767892775936
Energy: 0.6675245828314987
Energy: 0.47585129579672564
Energy: 0.48559234174906135
Energy: 0.5549881294625243
Energy: 0.4863886954932404
Energy: 0.49824394577868
Energy: 0.5736604090487236
Energy: 0.473491409546899
Energy: 0.4709409229030845
Energy: 0.5574753748260576
Energy: 0.4734021929633432
Energy: 0.5343691415420313
Energy: 0.5709877999720657
Energy: 0.5312360500430878
Energy: 0.5356499262320394
Energy: 0.5715151100154553
Energy: 0.5310038820926383
Energy: 0.522702663883933
Energy: 0.5732809138701644
Energy: 0.5130432125405829
Energy: 0.5123964670620678
Energy: 0.5723961488710583
Energy: 0.5160632707186821
Energy: 0.5125557432260301
Energy: 0.6074766754636604
Energy: 0.5320293007574117
Energy: 0.5338339902551301
Energy: 0.511105522744206
Energy: 0.5456155648562953
Energy: 0.5325184852975372
Energy: 0.6073563456311262
Energy: 0.49211621179726756
Energy: 0.5357270883757053
Energy: 0.5540042450864998
Energy: 0.5459972415532415
Energy: 0.5394414787995174
Energy: 0.6075060404217518
Energy: 0.4960844613187898
Energy: 0.5010067806078976
Energy: 0.502904873217136
Energy: 0.5012632228583439
Energy: 0.5033314664466718
Energy: 0.6395503404309533
Energy: 0.49002056916350967
Energy: 0.5061646614928494
Energy: 0.5065685906421218
Energy: 0.48860897201517567
Energy: 0.5053198637996069
Energy: 0.6452321370228645
Energy: 0.4893345277520236
Energy: 0.49715839972344505
Energy: 0.500914819203869
Energy: 0.5009836030586604
Energy: 0.5287882042986218
Energy: 0.6907356822398389
Energy: 0.5023052014156874
Energy: 0.5029593195851749
Energy: 0.4727244411901398
Energy: 0.5164187332636375
Energy: 0.4932157997223402
Energy: 0.8131659223647918
Energy: 0.5119653134269897
Energy: 0.4854256879621888
Energy: 0.47030073060503697
Energy: 0.4986238530182267
Energy: 0.5023364592363538

minimum gb energy = 0.4701549498905561 eV
minimum distance =  2.60576488608662 Angstroms
sigma value = 51


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

Energy: 0.8270025241642994
Energy: 0.48926735483800143
Energy: 0.48903851944283666
Energy: 0.49266722522373607
Energy: 0.5185365870463076
Energy: 0.5533862001620967
Energy: 0.6701212748766002
Energy: 0.4910427708385311
Energy: 0.49064414247198235
Energy: 0.4749415357650479
Energy: 0.5159743609461596
Energy: 0.4906239457726347
Energy: 0.7215896024295954
Energy: 0.5064080553766545
Energy: 0.49800440539240143
Energy: 0.49111662444541154
Energy: 0.5187818433419555
Energy: 0.5066753242328554
Energy: 0.719901990132962
Energy: 0.5072804835152004
Energy: 0.511569379262781
Energy: 0.46682187531904107
Energy: 0.5043781129777986
Energy: 0.500547258201427
Energy: 0.6281772584711519
Energy: 0.47442157434592913
Energy: 0.4740732006287165
Energy: 0.4746903844883146
Energy: 0.5208524147552622
Energy: 0.5193274385419041
Energy: 0.6281396826171313
Energy: 0.5172336710198222
Energy: 0.5169813289504233
Energy: 0.5192253508745234
Energy: 0.4742446899917987
Energy: 0.5163162097783672
Energy: 0.6308573884901364
Energy: 0.47457605092085264
Energy: 0.4743203352541584
Energy: 0.5196521989219898
Energy: 0.47446589936177097
Energy: 0.4745862842336585
Energy: 0.6201219938795902
Energy: 0.4825606912722343
Energy: 0.4834404572354597
Energy: 0.5040644783190431
Energy: 0.4695178155429134
Energy: 0.48596449733130664
Energy: 0.5413667104087752
Energy: 0.5079366021955316
Energy: 0.5080828645555481
Energy: 0.5180624024141219
Energy: 0.49410042966606593
Energy: 0.5176522317981279
Energy: 0.5415554791388104
Energy: 0.47495242493768364
Energy: 0.49079800812535307
Energy: 0.5163271152588373
Energy: 0.4743600875981092
Energy: 0.5040503945761747
Energy: 0.5414390264273966
Energy: 0.4839747433650003
Energy: 0.48404425846450627
Energy: 0.5416444273649591
Energy: 0.48450933333115814
Energy: 0.4950529226619237
Energy: 0.5655334494039065
Energy: 0.4750924533759224
Energy: 0.4745073695036894
Energy: 0.506284344424999
Energy: 0.5003840630912373
Energy: 0.5039993432903483
Energy: 0.5645646999188996
Energy: 0.5080314148242268
Energy: 0.5076650851413969
Energy: 0.5223214513907095
Energy: 0.4928593808365046
Energy: 0.5139292146257555
Energy: 0.5656313414163986
Energy: 0.48511262200743793
Energy: 0.4861184074049743
Energy: 0.5066710570365442
Energy: 0.469946786737912
Energy: 0.4860505023491675
Energy: 0.6697179780466014
Energy: 0.49275910395372685
Energy: 0.5082138410492207
Energy: 0.5129712272532023
Energy: 0.49190883823523934
Energy: 0.5082187198204619
Energy: 0.6681114054694209
Energy: 0.5069700548640228
Energy: 0.5018065615786237
Energy: 0.4826463851770134
Energy: 0.5196670358072812
Energy: 0.4853752817926694
Energy: 0.6725965624607088
Energy: 0.5053188088368349
Energy: 0.4901405457924286
Energy: 0.5076853199787535
Energy: 0.5264335131580857
Energy: 0.4908429419276729
Energy: 0.7729804610853129
Energy: 0.5097394484303688
Energy: 0.49468570764681397
Energy: 0.5062292943934628
Energy: 0.49136169128055557
Energy: 0.5043202063345087

minimum gb energy = 0.46682187531904107 eV
minimum distance =  2.64362568016585 Angstroms
sigma value = 19


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

Energy: 0.685845308860099
Energy: 0.5086118066319724
Energy: 0.5464687629641393
Energy: 0.5481606678792699
Energy: 0.5062635791159902
Energy: 0.5072684073282773
Energy: 0.6940948399286453
Energy: 0.5048269064105709
Energy: 0.5044655807195946
Energy: 0.5212631119997124
Energy: 0.5050074236351264
Energy: 0.504885829828672
Energy: 0.5965203971839175
Energy: 0.5047931328798797
Energy: 0.5045856404427296
Energy: 0.5216703736902609
Energy: 0.5049084291209276
Energy: 0.504808127009065
Energy: 0.5909944232124736
Energy: 0.5042813948546961
Energy: 0.50441610436735
Energy: 0.5011706851299408
Energy: 0.5044326190094194
Energy: 0.5056151894491392
Energy: 0.5971888713415204
Energy: 0.5049826465540576
Energy: 0.5214812520750507
Energy: 0.5224573163288874
Energy: 0.5055947106424498
Energy: 0.5208701632865446
Energy: 0.5966261241995864
Energy: 0.4869457418373543
Energy: 0.5212960465856528
Energy: 0.5216714707921964
Energy: 0.4868364108806127
Energy: 0.5218866825821818
Energy: 0.5980907859047562
Energy: 0.5222570756220266
Energy: 0.5215103656653938
Energy: 0.5214097417459316
Energy: 0.49627579944041383
Energy: 0.5216396415432323
Energy: 0.566654473306789
Energy: 0.4792658749112956
Energy: 0.4793656342101949
Energy: 0.5060535655718627
Energy: 0.48011530314101697
Energy: 0.4795544682504809
Energy: 0.5048850470184106
Energy: 0.47927971643704576
Energy: 0.47962313738483564
Energy: 0.5049718049879927
Energy: 0.4799488059844712
Energy: 0.47943931321323857
Energy: 0.5050439370508382
Energy: 0.5037010144845986
Energy: 0.5052625038229879
Energy: 0.5049964717448948
Energy: 0.5188134541486364
Energy: 0.5045608043473614
Energy: 0.5039297020135917
Energy: 0.5017868779296675
Energy: 0.5026667272506155
Energy: 0.5041387285016535
Energy: 0.502078432822782
Energy: 0.50614062411865
Energy: 0.5970981989052929
Energy: 0.5220549046233613
Energy: 0.5212491524189992
Energy: 0.5047947305617702
Energy: 0.5185566984513665
Energy: 0.5048814707544601
Energy: 0.49069088767788827
Energy: 0.521511570400172
Energy: 0.5214723430322379
Energy: 0.4873344838399032
Energy: 0.5215376469299684
Energy: 0.5212576877738121
Energy: 0.5978717537790119
Energy: 0.5226274372793147
Energy: 0.5225214442904869
Energy: 0.5044566833102591
Energy: 0.5221491462419685
Energy: 0.5219450049690587
Energy: 0.6956725676203547
Energy: 0.5051231871542397
Energy: 0.5056976938213533
Energy: 0.48010734013175477
Energy: 0.5047770813061762
Energy: 0.4797324229445239
Energy: 0.6901430117743856
Energy: 0.5199883037555751
Energy: 0.47957062501346664
Energy: 0.47934342493343984
Energy: 0.5051626210795711
Energy: 0.47958148135578554
Energy: 0.5969878225838879
Energy: 0.5050220133652383
Energy: 0.5046703666468305
Energy: 0.5220158839961938
Energy: 0.5047095405604385
Energy: 0.5046289950165725
Energy: 0.5945258388125675
Energy: 0.5053627199380335
Energy: 0.5047928128564447
Energy: 0.5010227781044918
Energy: 0.5049977364529546
Energy: 0.5051647114300511
Energy: 0.5921101930294972
Energy: 0.5047168083431747
Energy: 0.5048075570042719
Energy: 0.501180287227993
Energy: 0.5046835079334093
Energy: 0.5046462129507584
Energy: 0.5974127775758838
Energy: 0.48678853723263243
Energy: 0.517398063865052
Energy: 0.5214131674587339
Energy: 0.4868480625446436
Energy: 0.5199458989591051
Energy: 0.5911581802065023
Energy: 0.5211912524970393
Energy: 0.5218307796123656
Energy: 0.5222509503739298
Energy: 0.5048681018342732
Energy: 0.5224725172622854
Energy: 0.597208801102021
Energy: 0.4968128192428042
Energy: 0.5215115575752586
Energy: 0.5212232671077307
Energy: 0.4961295546581565
Energy: 0.5213952839690629
Energy: 0.5666640541911246
Energy: 0.48131181116702476
Energy: 0.48130909598120897
Energy: 0.5666937276290235
Energy: 0.48150594362753124
Energy: 0.48430599097203064
Energy: 0.5049839239059781
Energy: 0.5213480284114732
Energy: 0.5058287781486426
Energy: 0.5049169682839569
Energy: 0.5063662991057326
Energy: 0.5046214546694946
Energy: 0.5048209457619798
Energy: 0.5052497423080625
Energy: 0.5060191573833925
Energy: 0.5049022393847045
Energy: 0.5219145060058616
Energy: 0.5045298118042879
Energy: 0.5675961761102593
Energy: 0.5013093229709856
Energy: 0.5038946883412355
Energy: 0.5665810624051281
Energy: 0.5011711085357935
Energy: 0.5044911110380331
Energy: 0.5974480718135046
Energy: 0.5227943766734625
Energy: 0.5212860465037743
Energy: 0.5059031654295998
Energy: 0.5186720012581385
Energy: 0.5212282602090056
Energy: 0.49081052240873657
Energy: 0.5226525459839405
Energy: 0.516586647917667
Energy: 0.48693962731515406
Energy: 0.5222498702316005
Energy: 0.5213889812261935
Energy: 0.5662391852904101
Energy: 0.5222983573777822
Energy: 0.5173531666245782
Energy: 0.4966114645415541
Energy: 0.5217860668681534
Energy: 0.5214767281517589
Energy: 0.6911877268202897
Energy: 0.5065888903468297
Energy: 0.47945959524795484
Energy: 0.4797889918745305
Energy: 0.5058639152216744
Energy: 0.4795988971849017

minimum gb energy = 0.4792658749112956 eV
minimum distance =  2.71474571833653 Angstroms
sigma value = 27


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

Energy: 0.5890931865011876
Energy: 0.5162156534908712
Energy: 0.5796102850228854
Energy: 0.47889363480332686
Energy: 0.5020294949369789
Energy: 0.5794058398745409
Energy: 0.526545675671657
Energy: 0.493100873177582
Energy: 0.45690611806825876
Energy: 0.4482537739171345
Energy: 0.4972503326575258
Energy: 0.419051926529258
Energy: 0.5359331143266192
Energy: 0.4909652881726075
Energy: 0.4486688382034589
Energy: 0.4197408407833907
Energy: 0.4957471378951849
Energy: 0.4192503354700902
Energy: 0.4739471487269852
Energy: 0.4193488157040509
Energy: 0.41857508895449674
Energy: 0.451882943473127
Energy: 0.4590935513473189
Energy: 0.41844103593034265
Energy: 0.584024211435473
Energy: 0.4229078900556178
Energy: 0.41955633277288157
Energy: 0.46126756461179524
Energy: 0.42749278278000075
Energy: 0.41944642551560246
Energy: 0.4985089837602578
Energy: 0.3994017868987736
Energy: 0.4238390914538666
Energy: 0.4899998260292183
Energy: 0.42426789147546756
Energy: 0.3970217832321459
Energy: 0.5012073756635458
Energy: 0.44621464686479745
Energy: 0.44182033026861617
Energy: 0.49808078313598536
Energy: 0.4466025507054202
Energy: 0.4474319802789715
Energy: 0.5006613688021779
Energy: 0.44491500371561177
Energy: 0.44337921433004224
Energy: 0.5001051510697576
Energy: 0.4459975813407626
Energy: 0.4451182718108181
Energy: 0.5343495669074394
Energy: 0.4185351496120539
Energy: 0.44483503927459517
Energy: 0.4988899979146111
Energy: 0.4442969398478995
Energy: 0.41978706434434515
Energy: 0.4772221745435436
Energy: 0.44874977996646115
Energy: 0.44657878970179093
Energy: 0.48442485434693555
Energy: 0.4526708011336851
Energy: 0.44654588455050603
Energy: 0.5356840228970539
Energy: 0.4850781625327858
Energy: 0.484304612680447
Energy: 0.4476337762042371
Energy: 0.48579328068569383
Energy: 0.4480832545664115
Energy: 0.526545676539366
Energy: 0.4477175925749396
Energy: 0.45692429229985637
Energy: 0.44930241737837123
Energy: 0.44769589778142765
Energy: 0.4189684142246881

minimum gb energy = 0.3970217832321459 eV
minimum distance =  2.73557658592309 Angstroms
sigma value = 9


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

Energy: 0.9702179740250211
Energy: 0.40857873190556127
Energy: 0.4372200895826922
Energy: 0.4090573113800088
Energy: 0.4102514389649141
Energy: 0.43689121926774716
Energy: 0.4419015986117639
Energy: 0.39780802239557855
Energy: 0.3830605359233236
Energy: 0.4031424495734199
Energy: 0.4245833456557404
Energy: 0.40378674275737975
Energy: 0.4537631453339879
Energy: 0.4177697415525547
Energy: 0.41585436622059885
Energy: 0.4180964552472307
Energy: 0.43058206729699555
Energy: 0.4138741581350813
Energy: 0.45630333285309826
Energy: 0.38510980333346084
Energy: 0.3850809562199036
Energy: 0.41760593289124753
Energy: 0.3997434062877374
Energy: 0.3852759544496909
Energy: 0.4728659837418151
Energy: 0.39973115873297405
Energy: 0.37570687451367474
Energy: 0.42288363205267376
Energy: 0.39909362960541916
Energy: 0.4083062055797397
Energy: 0.4290407335770038
Energy: 0.38212384551501954
Energy: 0.4047465817269131
Energy: 0.42873203086186934
Energy: 0.4108813772675728
Energy: 0.41007022035837704
Energy: 0.42911542110670037
Energy: 0.3902551126041645
Energy: 0.38501467951107887
Energy: 0.42984970774555287
Energy: 0.387352939886196
Energy: 0.40860351855746
Energy: 0.4296803931576671
Energy: 0.4046919855461327
Energy: 0.3987040240005505
Energy: 0.429859236365895
Energy: 0.4168585103116289
Energy: 0.40709689506741437
Energy: 0.43165818693094743
Energy: 0.40625040553762815
Energy: 0.40276078889292843
Energy: 0.4243604405123991
Energy: 0.41956757593298294
Energy: 0.4072122501703717
Energy: 0.42554177679790034
Energy: 0.38818633666794106
Energy: 0.3853965904300932
Energy: 0.4097948347770824
Energy: 0.39751358800542524
Energy: 0.3810668359099294
Energy: 0.4205204440563141
Energy: 0.4261771087455137
Energy: 0.4236993179706114
Energy: 0.4120725140252003
Energy: 0.42879529583789655
Energy: 0.40807023373540124
Energy: 0.43210256191799057
Energy: 0.4134846273447542
Energy: 0.3974288618000766
Energy: 0.3979420278267789
Energy: 0.42939134336846696
Energy: 0.3847817974934528
Energy: 0.595200560656459
Energy: 0.4129530014889425
Energy: 0.38494768069034685
Energy: 0.39967728635900523
Energy: 0.4121901076558905
Energy: 0.4072551051477731
Energy: 0.4868354254272708
Energy: 0.41044131601405465
Energy: 0.408357278833771
Energy: 0.39754117249488025
Energy: 0.4078539738516884
Energy: 0.3854587869124103
Energy: 0.4329601624839056
Energy: 0.4118400662718175
Energy: 0.41199681353082085
Energy: 0.4250151591486743
Energy: 0.4136387181549667
Energy: 0.4076849750032125
Energy: 0.42996453006509494
Energy: 0.40757194588796325
Energy: 0.41841840904606936
Energy: 0.4303202536000205
Energy: 0.4172864510613617
Energy: 0.41139046816787167
Energy: 0.4295004199230582
Energy: 0.3852776030145697
Energy: 0.38295974261178384
Energy: 0.4285529329813354
Energy: 0.3944100119519211
Energy: 0.4066045227899911
Energy: 0.47219572829553824
Energy: 0.3970414084398679
Energy: 0.40704955372845814
Energy: 0.41292764588788355
Energy: 0.4029084362821043
Energy: 0.38667018308073675
Energy: 0.4534541901895695
Energy: 0.4023206158745416
Energy: 0.4039747065354178
Energy: 0.4246564035510857
Energy: 0.40196647297354154
Energy: 0.4093452193304405
Energy: 0.4535103348432977
Energy: 0.40370668532419973
Energy: 0.4071667421791477
Energy: 0.41900102693578417
Energy: 0.4198540074460424
Energy: 0.40977636712513515
Energy: 0.4536747651023479
Energy: 0.40685624176471974
Energy: 0.4045235617664318
Energy: 0.41270825774509723
Energy: 0.41704558416838344
Energy: 0.4110300892563878
Energy: 0.4732797322999825
Energy: 0.39844778497534195
Energy: 0.3996809933790402
Energy: 0.40005086103583337
Energy: 0.4175606262630486
Energy: 0.39646039885930223
Energy: 0.48066533649713805
Energy: 0.39522372777326065
Energy: 0.40635103555493757
Energy: 0.3994151837731744
Energy: 0.42480078905517343
Energy: 0.38733724504812655
Energy: 0.45413839444195564
Energy: 0.3903112685309741
Energy: 0.4078040598938175
Energy: 0.40129101395402184
Energy: 0.4313516983423333
Energy: 0.41275555413306175
Energy: 0.6025065076283894
Energy: 0.39085011495521915
Energy: 0.5026003819865699
Energy: 0.4074982702412646
Energy: 0.4004395346162046
Energy: 0.4087008871586103
Energy: 0.45372706995440615
Energy: 0.38574457122335065
Energy: 0.38241747613359967
Energy: 0.425123611136469
Energy: 0.3984271568242432
Energy: 0.4076230354651799
Energy: 0.40093067174466146
Energy: 0.3827095303160073
Energy: 0.3827386099773903
Energy: 0.40107306085878736
Energy: 0.4059592818187851
Energy: 0.4156030420751403
Energy: 0.4340008080938058
Energy: 0.38528145921525125
Energy: 0.38557203021290176
Energy: 0.42887237400743183
Energy: 0.3993443986967207
Energy: 0.38313765208003026
Energy: 0.4289600126150409
Energy: 0.39841201221680717
Energy: 0.4065786816063133
Energy: 0.42898853664096065
Energy: 0.4096110238970718
Energy: 0.4084618414119899
Energy: 0.4320119925564361
Energy: 0.4042512744051821
Energy: 0.40561770503805483
Energy: 0.42173293664215483
Energy: 0.4165819603270261
Energy: 0.38555971827563196
Energy: 0.42075308465449046
Energy: 0.38643275649057734
Energy: 0.4062261938943013
Energy: 0.4113073428033282
Energy: 0.4058667325149763
Energy: 0.4056890150494917
Energy: 0.42398887316272893
Energy: 0.40637959521726696
Energy: 0.4052865018355234
Energy: 0.4097304791956185
Energy: 0.42902473752305154
Energy: 0.3812024470060671
Energy: 0.449476317494597
Energy: 0.41335091837347865
Energy: 0.42948462221113554
Energy: 0.40870977686431054
Energy: 0.43069943461431576
Energy: 0.38546217629526075
Energy: 0.44964733465519546
Energy: 0.4288842532360287
Energy: 0.40620152378018587
Energy: 0.40637448129406484
Energy: 0.4283900118411877
Energy: 0.38480369052445856
Energy: 0.4464463111748266
Energy: 0.3991786868053305
Energy: 0.409731630530274
Energy: 0.4092125357337154
Energy: 0.42320859256507565
Energy: 0.40805810451207936
Energy: 0.4481395624029958
Energy: 0.4121746327958073
Energy: 0.403455397694748
Energy: 0.4199951332607304
Energy: 0.413721424541753
Energy: 0.38949020509645493
Energy: 0.43070134538233745
Energy: 0.4182270708350573
Energy: 0.42205403603597447
Energy: 0.4307355429283852
Energy: 0.4157386206555454
Energy: 0.39091401183800967
Energy: 0.42975085670643043
Energy: 0.4029793886086569
Energy: 0.4031789728888562
Energy: 0.42883191961714906
Energy: 0.4025930355393957
Energy: 0.41058659828414434
Energy: 0.44411804411506395
Energy: 0.38658200128332953
Energy: 0.38566037169359974
Energy: 0.45220616693580545
Energy: 0.4089580583335631
Energy: 0.43190942816282274
Energy: 0.45377898749692974
Energy: 0.4026150335065226
Energy: 0.4031627257326681
Energy: 0.42435822427479913
Energy: 0.4030930713580468
Energy: 0.40356661027777085
Energy: 0.4514805929373909
Energy: 0.41234257676577835
Energy: 0.4073672284092795
Energy: 0.41770325338814907
Energy: 0.4039535675526875
Energy: 0.4060165050995328
Energy: 0.4536226368856954
Energy: 0.4207090978618036
Energy: 0.40833339168037625
Energy: 0.40903752152703415
Energy: 0.4206117078424074
Energy: 0.405119440140868
Energy: 0.47114914188362544
Energy: 0.3952023483265333
Energy: 0.4095075650244497
Energy: 0.4049099137917474
Energy: 0.4259062602329301
Energy: 0.3872612671097125

minimum gb energy = 0.37570687451367474 eV
minimum distance =  2.69151370030051 Angstroms
sigma value = 57


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

Energy: 0.19622564618483615
Energy: 0.20657458094830722
Energy: 0.22004939078610872
Energy: 0.19751064135235522
Energy: 0.22437193660733706
Energy: 0.1978104904654455
Energy: 0.19709280279856858
Energy: 0.21021976864441325
Energy: 0.21466404630677563
Energy: 0.22075626049223307
Energy: 0.22478664443090143
Energy: 0.21484322456553395
Energy: 0.24675287835334758
Energy: 0.22877413104039443
Energy: 0.21165956443052655
Energy: 0.22273503064717898
Energy: 0.22284158520021197
Energy: 0.21507910029068686
Energy: 0.24673256814151642
Energy: 0.2275494919848235
Energy: 0.2111861599830424
Energy: 0.22642344377213347
Energy: 0.2248592021392967
Energy: 0.21276139537178682
Energy: 0.24422753889716636
Energy: 0.20068521786074037
Energy: 0.2105965149356281
Energy: 0.2267281867682351
Energy: 0.19776910004724318
Energy: 0.22169909985537764
Energy: 0.2224160629628729
Energy: 0.19838907032306055
Energy: 0.1989301648313052
Energy: 0.20854620936056248
Energy: 0.20126959068569
Energy: 0.210537083655907
Energy: 0.21916871842179397
Energy: 0.2102450532047545
Energy: 0.2148801872555756
Energy: 0.22002389635839217
Energy: 0.2074856012299516
Energy: 0.2158834669447189
Energy: 0.22239964696387285
Energy: 0.2122536358981795
Energy: 0.22637325179901105
Energy: 0.22243487345035792
Energy: 0.2095502184566964
Energy: 0.21147196594827428
Energy: 0.24395813186338414
Energy: 0.21062322204261844
Energy: 0.21708857594394845
Energy: 0.22290725738473802
Energy: 0.22256158676265972
Energy: 0.21226717047185406
Energy: 0.20097738329605158
Energy: 0.21813012302707369
Energy: 0.19971798678898015
Energy: 0.20131901179951633
Energy: 0.2224595630359304
Energy: 0.2102096087635181
Energy: 0.19692973702780875
Energy: 0.21080014081608622
Energy: 0.21824328623760245
Energy: 0.19730001180843437
Energy: 0.20782246712751423
Energy: 0.19933158962270625
Energy: 0.24531859856513202
Energy: 0.22664891246457597
Energy: 0.21562841598868324
Energy: 0.22127969807484757
Energy: 0.22206403329510951
Energy: 0.21568683088179524
Energy: 0.24647694375079834
Energy: 0.24983412217593312
Energy: 0.2283321744770464
Energy: 0.21007424140803596
Energy: 0.24692138032975067
Energy: 0.2273040527405783
Energy: 0.244540427551533
Energy: 0.22597620195592627
Energy: 0.21763877963883643
Energy: 0.22222854136008027
Energy: 0.22197916597846754
Energy: 0.22123327931455744
Energy: 0.24692027925105367
Energy: 0.2034691520574817
Energy: 0.19800546808789918
Energy: 0.22350326014088343
Energy: 0.19920243879974453
Energy: 0.19802403971882035
Energy: 0.2209084301961481
Energy: 0.2124482952345491
Energy: 0.2151211863246757
Energy: 0.22172817244279375
Energy: 0.19743346451699662
Energy: 0.21761248960228888
Energy: 0.22244259043985215
Energy: 0.20506470238515068
Energy: 0.2200376165074902
Energy: 0.2227798402246748
Energy: 0.22431521550422187
Energy: 0.2133325783766791
Energy: 0.2475086487609101
Energy: 0.21157925356038457
Energy: 0.22558030576829122
Energy: 0.24813370997871495
Energy: 0.20993586053771948
Energy: 0.2113599773420858
Energy: 0.19697326755636588
Energy: 0.21088389709686586
Energy: 0.21865921330255092
Energy: 0.19743485538652802
Energy: 0.2102626388168107
Energy: 0.221619478730466

minimum gb energy = 0.19622564618483615 eV
minimum distance =  2.73937238865376 Angstroms
sigma value = 11


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

Energy: 0.7928341116356542
Energy: 0.33794576421203887
Energy: 0.401204607171198
Energy: 0.35665782559495485
Energy: 0.3287383157797747
Energy: 0.39790396240627157
Energy: 0.3378403705438287
Energy: 0.3285293590949007
Energy: 0.33038037306337104
Energy: 0.32502224141589997
Energy: 0.32596146701617623
Energy: 0.32376912309400974
Energy: 0.3280815317806144
Energy: 0.3336716445494857
Energy: 0.3287993017573499
Energy: 0.32780892891772867
Energy: 0.3333637860044359
Energy: 0.3249994548302197
Energy: 0.32875983108425055
Energy: 0.339803432964959
Energy: 0.32339643494131626
Energy: 0.32864572378176204
Energy: 0.32607072087050337
Energy: 0.3293524091837253
Energy: 0.32646823254510005
Energy: 0.39019918190893654
Energy: 0.36252183794750376
Energy: 0.3364566047859701
Energy: 0.3252580628198802
Energy: 0.32982954901030764
Energy: 0.3499493878133086
Energy: 0.3648291490750777
Energy: 0.36817327992816196
Energy: 0.33402388981671466
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Energy: 0.3379869832653869
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Energy: 0.35355602245829865
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Energy: 0.3387171912639824
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Energy: 0.3547616543433525
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Energy: 0.3309726403250176
Energy: 0.36864805359534114
Energy: 0.36741171827951685
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Energy: 0.39901028529755606
Energy: 0.38924752958215086
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Energy: 0.39281328207784444
Energy: 0.38785361857586514
Energy: 0.401489293021206
Energy: 0.33204672602221336
Energy: 0.3542229798898639
Energy: 0.37397704085825234
Energy: 0.3298982304548496
Energy: 0.33298717963076446
Energy: 0.5043358099111206
Energy: 0.38975040706601843
Energy: 0.38813838029890946
Energy: 0.3546384843007964
Energy: 0.39333999318389745
Energy: 0.38842911966381355
Energy: 0.5506975093080689
Energy: 0.3641987863519182
Energy: 0.32620931220435656
Energy: 0.467337965234634
Energy: 0.37969741428736486
Energy: 0.3265109943139381
Energy: 0.37859719945668513
Energy: 0.35511654455913616
Energy: 0.3893931788698312
Energy: 0.3428254262120251
Energy: 0.3628354878892825
Energy: 0.3887291304454088
Energy: 0.3763534206659347
Energy: 0.32876971483370326
Energy: 0.3686874115280821
Energy: 0.3342734741844927
Energy: 0.3349090055635159
Energy: 0.36720006641781244
Energy: 0.4469737541051189
Energy: 0.4121712099302761
Energy: 0.33468221616094157
Energy: 0.42501933477887016
Energy: 0.3370806394763571
Energy: 0.3320775628094993
Energy: 0.5044982508085583
Energy: 0.36465777016043016
Energy: 0.3574871635047382
Energy: 0.3697419838690311
Energy: 0.3899076913020784
Energy: 0.35604455024217413
Energy: 0.46081835849984454
Energy: 0.3364718864918973
Energy: 0.3471609611760101
Energy: 0.46869701868730124
Energy: 0.3409740564146107
Energy: 0.3934325883845448
Energy: 0.32479333877284017
Energy: 0.365460195265429
Energy: 0.35807304512335597
Energy: 0.32526044184231173
Energy: 0.3633846822058843
Energy: 0.35661766444731136
Energy: 0.32380308622568965
Energy: 0.3285855897760633
Energy: 0.3253210613496814
Energy: 0.32406003484284535
Energy: 0.32890314292285094
Energy: 0.32941274411093696
Energy: 0.3905562348143067
Energy: 0.3283394196515192
Energy: 0.3302735050885608
Energy: 0.3285625774528737
Energy: 0.3273701284946106
Energy: 0.32796992558405214
Energy: 0.3726825922764037
Energy: 0.32579118724389783
Energy: 0.32883262900345234
Energy: 0.323114613020771
Energy: 0.32463949556949123
Energy: 0.36399913101871767

minimum gb energy = 0.3116420271528277 eV
minimum distance =  2.67546188259749 Angstroms
sigma value = 41


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

Energy: 0.7399977754704957
Energy: 0.37916616057331015
Energy: 0.3486377073682798
Energy: 0.4115921603453583
Energy: 0.38441467828725867
Energy: 0.4116659991239524
Energy: 0.3641985789188116
Energy: 0.35446480429484967
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Energy: 0.34941912547028514
Energy: 0.3484311803094902
Energy: 0.3464556178860737
Energy: 0.34821664011161746
Energy: 0.3467434080484849
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Energy: 0.34900123803414357
Energy: 0.34526550695596575
Energy: 0.3473829841562579
Energy: 0.34893754805906196
Energy: 0.3497057917704302
Energy: 0.34913623866642435
Energy: 0.34764304746582947
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Energy: 0.3470796002187395
Energy: 0.392979769007408
Energy: 0.3478932311459449
Energy: 0.3477105805104435
Energy: 0.36229720939363036
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Energy: 0.35337474341079717
Energy: 0.39157292639098085
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Energy: 0.34833565975634
Energy: 0.34925121473035214
Energy: 0.3602745669468376
Energy: 0.3482313806903354
Energy: 0.3632891610238926
Energy: 0.37314645689093995
Energy: 0.37205482598714285
Energy: 0.3310787968928791
Energy: 0.3757462418724222
Energy: 0.3479472537063159
Energy: 0.3924713012014473
Energy: 0.3481163945072767
Energy: 0.34707078830917626
Energy: 0.3618141750373759
Energy: 0.34950848406189794
Energy: 0.3466564478198562
Energy: 0.5243375786558159
Energy: 0.3524562076937621
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Energy: 0.4527417528506626
Energy: 0.3641031971583087
Energy: 0.34791678448781055
Energy: 0.39284619500779355
Energy: 0.35245645320542823
Energy: 0.34663437685871346
Energy: 0.3509200304953099
Energy: 0.36098545242253793
Energy: 0.34560580677610186
Energy: 0.4029666463077413
Energy: 0.33282042232471487
Energy: 0.3319260520766644
Energy: 0.36324113642947786
Energy: 0.3329779992110024
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Energy: 0.3503381536963396
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Energy: 0.3316164373958834
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Energy: 0.684099095992727
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Energy: 0.3319258839323585
Energy: 0.3625172477659813
Energy: 0.3624187973705622
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Energy: 0.349602801345992
Energy: 0.3506332211711277
Energy: 0.34796976422242804
Energy: 0.34956558130877063
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Energy: 0.34737876552720615
Energy: 0.3458235981881351
Energy: 0.346559176148757
Energy: 0.3490616915110647
Energy: 0.35008516400496875
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Energy: 0.34814024923179615
Energy: 0.34732020584035395
Energy: 0.3464504040218347
Energy: 0.348946496488247
Energy: 0.3488985334989257
Energy: 0.3464036639503944
Energy: 0.36734311500414313
Energy: 0.36222317086151257
Energy: 0.3839977977195793
Energy: 0.41387460046108787
Energy: 0.34661881414631973
Energy: 0.3917824303812052
Energy: 0.3921987814265548
Energy: 0.3480938957944555
Energy: 0.34772606492478925
Energy: 0.3604680343302068
Energy: 0.3490666274727959
Energy: 0.34751570996910663
Energy: 0.3632465279724404
Energy: 0.37523429415465404
Energy: 0.3503772226882517
Energy: 0.3585041850390648
Energy: 0.377149529276311
Energy: 0.34977141653845684
Energy: 0.3919429194247107
Energy: 0.3493144617845063
Energy: 0.34788200047810997
Energy: 0.36058937560757026
Energy: 0.3497881392820615
Energy: 0.34842583698462537
Energy: 0.5249638014091464
Energy: 0.3521001004561802
Energy: 0.3481053467454993
Energy: 0.351625159907871
Energy: 0.3612063656626569
Energy: 0.34615262921727946
Energy: 0.5249835073464344
Energy: 0.3525263243084428
Energy: 0.34707565790098616
Energy: 0.35069375902457717
Energy: 0.36450988694830266
Energy: 0.34816652107263607
Energy: 0.39300460216734284
Energy: 0.35897099456105525
Energy: 0.3572841266338366
Energy: 0.36078469050687534
Energy: 0.34398213432667657
Energy: 0.35554705854906804
Energy: 0.3508474416490026
Energy: 0.33149807085719446
Energy: 0.3312656431523253
Energy: 0.36607566699977623
Energy: 0.3314309675958031
Energy: 0.36032985801367323
Energy: 0.35019545330981205
Energy: 0.3529116566232241
Energy: 0.35138726973210527
Energy: 0.3482281215217285
Energy: 0.3527909267897157
Energy: 0.3516588790579316
Energy: 0.349795063755155
Energy: 0.3466292211360116
Energy: 0.3452921693370822
Energy: 0.34993138216698844
Energy: 0.34705301571221214
Energy: 0.3477566873914514
Energy: 0.34923647748071673
Energy: 0.35005694116827735
Energy: 0.3461918548379727
Energy: 0.3518021319945241
Energy: 0.3500162887805202
Energy: 0.34781504826003906
Energy: 0.6842071185264115
Energy: 0.34944908161191507
Energy: 0.33356311443644127
Energy: 0.33388528162209835
Energy: 0.34587445878129996
Energy: 0.3326657288309474

minimum gb energy = 0.33105288051165604 eV
minimum distance =  2.6930250967294 Angstroms
sigma value = 33


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

Energy: 0.47517836700551513
Energy: 0.45137030561966063
Energy: 0.3825104999723496
Energy: 0.3774998407942035
Energy: 0.4518381352549745
Energy: 0.38138430204947615
Energy: 0.4080213336570786
Energy: 0.3729775491741971
Energy: 0.37224809742162085
Energy: 0.3838357968984698
Energy: 0.382665744242835
Energy: 0.37345899962623885
Energy: 0.385511063560092
Energy: 0.37386527299211764
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Energy: 0.3741367151053872
Energy: 0.37385389493154186
Energy: 0.38104105867872806
Energy: 0.3867288898130136
Energy: 0.3759018947587759
Energy: 0.37799441798675787
Energy: 0.37387179309417695
Energy: 0.37757328188298955
Energy: 0.37789118230454194
Energy: 0.3846971024758138
Energy: 0.3780960131568292
Energy: 0.36281488404440876
Energy: 0.38517580593062944
Energy: 0.3890235179629696
Energy: 0.363583182543701
Energy: 0.40974688440987256
Energy: 0.3770616890978325
Energy: 0.37802610348864013
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Energy: 0.37688445371435064
Energy: 0.37898710866125257
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Energy: 0.3861800174412164
Energy: 0.38675002057399843
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Energy: 0.37747339640056865
Energy: 0.40443076853085164
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Energy: 0.3784131315762514
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Energy: 0.36315980333638437
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Energy: 0.41504083154514254
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Energy: 0.3656770121303498
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Energy: 0.39336672021114105
Energy: 0.387119313438772
Energy: 0.37373334323587515
Energy: 0.3755203833228956
Energy: 0.37733978200642837
Energy: 0.3831090669916664
Energy: 0.3761489604513673
Energy: 0.6342333761600836
Energy: 0.3650711469837485
Energy: 0.3623744294470809
Energy: 0.3627650075492552
Energy: 0.37034267808723975
Energy: 0.36220037983712305

minimum gb energy = 0.36180669608646593 eV
minimum distance =  2.701246723324 Angstroms
sigma value = 67


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

Energy: 0.562370252320296
Energy: 0.40678247835839065
Energy: 0.4074898143733119
Energy: 0.40803001752658125
Energy: 0.4231691349607416
Energy: 0.40908279111575907
Energy: 0.4438986359447946
Energy: 0.3947617509126034
Energy: 0.3948611863203009
Energy: 0.39452712719021044
Energy: 0.39560164140742965
Energy: 0.39447906449616693
Energy: 0.4147413527557137
Energy: 0.38277862493093423
Energy: 0.3955489365732316
Energy: 0.39590018966286955
Energy: 0.3810558549244479
Energy: 0.3953911913793539
Energy: 0.41495493870001887
Energy: 0.39550907059836143
Energy: 0.39538115957527625
Energy: 0.3940066631119301
Energy: 0.39544634146919355
Energy: 0.39540085689644944
Energy: 0.41787007889995414
Energy: 0.3953337815431333
Energy: 0.39627887922569166
Energy: 0.4179915681484334
Energy: 0.3952489690621585
Energy: 0.39662474057700725
Energy: 0.4188488106082582
Energy: 0.39740698431452004
Energy: 0.3973860952701714
Energy: 0.41917145640287895
Energy: 0.39753463234946296
Energy: 0.3976659849798578
Energy: 0.4438163742056706
Energy: 0.39551423540936803
Energy: 0.39461060389924096
Energy: 0.37814440582903197
Energy: 0.3951862608121544
Energy: 0.39440923600286354

minimum gb energy = 0.37814440582903197 eV
minimum distance =  2.74430035604336 Angstroms
sigma value = 3


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

Energy: 0.6317828477704568
Energy: 0.4606877552112309
Energy: 0.46069030592556365
Energy: 0.5016242394399415
Energy: 0.5282473972073675
Energy: 0.45725128211081817
Energy: 0.4540974104009365
Energy: 0.46379998521126076
Energy: 0.46145072465565923
Energy: 0.47615893721571206
Energy: 0.4704652275638809
Energy: 0.45767597147180433
Energy: 0.4781237715142179
Energy: 0.4561186084867189
Energy: 0.4562098113520501
Energy: 0.4779803242975386
Energy: 0.456212481451137
Energy: 0.45349718092704927
Energy: 0.45180167434512913
Energy: 0.45519898295538325
Energy: 0.45327025423507944
Energy: 0.4523972264437292
Energy: 0.45558809955412144
Energy: 0.45314974229903343
Energy: 0.4596819345306248
Energy: 0.45693790683758506
Energy: 0.4568569336544677
Energy: 0.4600601702327129
Energy: 0.45986749739645816
Energy: 0.4522354501778061
Energy: 0.4512607821762354
Energy: 0.4553898921603808
Energy: 0.4546984057151467
Energy: 0.4513997979242702
Energy: 0.45921620869049484
Energy: 0.4524822001169096
Energy: 0.45253772222820793
Energy: 0.467012524712201
Energy: 0.46512631372193014
Energy: 0.4535620695230817
Energy: 0.45825155300379217
Energy: 0.4612890566443192
Energy: 0.5895951373559951
Energy: 0.4765745761154802
Energy: 0.47659104141391245
Energy: 0.4768024547156126
Energy: 0.47727622099739325
Energy: 0.4787138632813719
Energy: 0.4539247878144843
Energy: 0.4562864952477203
Energy: 0.45921081450934
Energy: 0.45876749234955055
Energy: 0.45980128117379254
Energy: 0.4659074905533921
Energy: 0.453227281748613
Energy: 0.4495046809450511
Energy: 0.45032180644008174
Energy: 0.49043147677409227
Energy: 0.4485433707535985
Energy: 0.4732776772643846
Energy: 0.49304275481330945
Energy: 0.4523556587430743
Energy: 0.45403780136853666
Energy: 0.46105095558756565
Energy: 0.4484426918314085
Energy: 0.47168543373323224
Energy: 0.454310675703824
Energy: 0.46186638210940856
Energy: 0.4608979555151026
Energy: 0.4564253537897288
Energy: 0.4571440217494389
Energy: 0.45030753424385056
Energy: 0.46602006102871113
Energy: 0.44999217383809537
Energy: 0.4505250914380966
Energy: 0.44857485430858435
Energy: 0.4500449614782324
Energy: 0.4502143298529053
Energy: 0.48825758821835896
Energy: 0.4533956113582289
Energy: 0.4523229150514153
Energy: 0.4607795910660987
Energy: 0.4510999372575196
Energy: 0.450377007258378
Energy: 0.5164798963362653
Energy: 0.4551598515099279
Energy: 0.5003516389594764
Energy: 0.4551456456872986
Energy: 0.47867625135202396
Energy: 0.4526545556441273
Energy: 0.47539359807268217
Energy: 0.4613021777738937
Energy: 0.46575673688407054
Energy: 0.48346968864938067
Energy: 0.46033760945387714
Energy: 0.45913359492575395
Energy: 0.5334958838891685
Energy: 0.45595510003430356
Energy: 0.4581598113402462
Energy: 0.4723695255384038
Energy: 0.45638075194406175
Energy: 0.463489444773354
Energy: 0.4643908170919277
Energy: 0.4580859801644868
Energy: 0.4651174898683082
Energy: 0.46374749330893245
Energy: 0.45620660055189177
Energy: 0.470520647417203
Energy: 0.4636430907777344
Energy: 0.4530950897909487
Energy: 0.4512272016955579
Energy: 0.45126527785370224
Energy: 0.4926033754659121
Energy: 0.4522587939020632
Energy: 0.5088647060116404
Energy: 0.45378082409732906
Energy: 0.45380743262330225
Energy: 0.45539552857478854
Energy: 0.45602062402405924
Energy: 0.4502252139202534
Energy: 0.47359118949012985
Energy: 0.4643640719056135
Energy: 0.4671191645459079
Energy: 0.45498658024063743
Energy: 0.4652476852890528
Energy: 0.4672169049359209
Energy: 0.46050702233129
Energy: 0.46255860385282827
Energy: 0.458667723412963
Energy: 0.46043457082630196
Energy: 0.4681909095105188
Energy: 0.45841049900768305
Energy: 0.46507795747024616
Energy: 0.4611390844683077
Energy: 0.4616638770813583
Energy: 0.46579141778290856
Energy: 0.46543806113192904
Energy: 0.46094071323278535
Energy: 0.46233203614519236
Energy: 0.4512677844451466
Energy: 0.45094607616874466
Energy: 0.46278570014514125
Energy: 0.4499610136059906
Energy: 0.4611921192584191
Energy: 0.45986285149059164
Energy: 0.4583697533117433
Energy: 0.4556383272186671
Energy: 0.45646947926569553
Energy: 0.4628382759172455
Energy: 0.4561926395272307
Energy: 0.621904952622946
Energy: 0.48792606898834284
Energy: 0.48808064933137724
Energy: 0.45917442610842846
Energy: 0.4534252764136126
Energy: 0.45866302696179406
Energy: 0.4423121762471541
Energy: 0.47321537188481927
Energy: 0.4670891894255375
Energy: 0.4423816273604743
Energy: 0.468283111276577
Energy: 0.4572667248406245
Energy: 0.46159849120180857
Energy: 0.45793912130562153
Energy: 0.4547208722703795
Energy: 0.47541131784094304
Energy: 0.4717919079821488
Energy: 0.455997513793454
Energy: 0.46843758905151955
Energy: 0.4562677204702165
Energy: 0.4562070740763771
Energy: 0.46947978493904313
Energy: 0.45648512415584935
Energy: 0.45893331751961464
Energy: 0.45939052105073397
Energy: 0.46456582084649517
Energy: 0.46050380337451124
Energy: 0.4601855241664417
Energy: 0.4720550876333169
Energy: 0.4657002858316966
Energy: 0.4594655291762578
Energy: 0.4606860475173107
Energy: 0.4603250384706012
Energy: 0.4588261082264599
Energy: 0.4624636108468874
Energy: 0.4627928463787187
Energy: 0.464490037761682
Energy: 0.46029861988470683
Energy: 0.46143235516197434
Energy: 0.45858143284450326
Energy: 0.4606570528800944
Energy: 0.4666141245492892
Energy: 0.5719858514012598
Energy: 0.468035155044115
Energy: 0.46512443658800107
Energy: 0.44894869289829115
Energy: 0.4581739630708653
Energy: 0.4571081641336298
Energy: 0.44960615738609516
Energy: 0.4498826025137384
Energy: 0.4706404622403334
Energy: 0.4543719648930212
Energy: 0.4518287054094511
Energy: 0.4498277441262038
Energy: 0.46340270584641396
Energy: 0.46364235245051094
Energy: 0.471524121016691
Energy: 0.45615335231943777
Energy: 0.44887983734631465
Energy: 0.47120529201002986
Energy: 0.4816498974111641
Energy: 0.44936462341629485
Energy: 0.4502226124463043
Energy: 0.48043396387623866
Energy: 0.44872193956841544
Energy: 0.45476485540204276
Energy: 0.481939386289443
Energy: 0.46668341239850747
Energy: 0.46922372558601855
Energy: 0.460566827185462
Energy: 0.4651486605399847
Energy: 0.4691078885684551
Energy: 0.46660935758534716
Energy: 0.4510188895110626
Energy: 0.4507049632300445
Energy: 0.44839324248952356
Energy: 0.4512174999857165
Energy: 0.4502159005016239
Energy: 0.4932325252063007
Energy: 0.45650847032665004
Energy: 0.45822561362867975
Energy: 0.46573203725833523
Energy: 0.45405230312933154
Energy: 0.4550044812949654
Energy: 0.4873195664607072
Energy: 0.45436775347631164
Energy: 0.45150757125775126
Energy: 0.45495876599305257
Energy: 0.4539180879747216
Energy: 0.4517889892843707
Energy: 0.4535669788443601
Energy: 0.4523575020148244
Energy: 0.4531111265788377
Energy: 0.47023034061409985
Energy: 0.4574107488239461
Energy: 0.4511237583105646
Energy: 0.49275134376094776
Energy: 0.4571712448575881
Energy: 0.4593582481318613
Energy: 0.4729345821876858
Energy: 0.4587862661234701
Energy: 0.47720602536236584
Energy: 0.5189287534507843
Energy: 0.45613205107225574
Energy: 0.4562133389614447
Energy: 0.5012845865700332
Energy: 0.4556572911332656
Energy: 0.4775747470620724
Energy: 0.4590835661416342
Energy: 0.4530366174317929
Energy: 0.4539598789483417
Energy: 0.4525589498094745
Energy: 0.45691464121087744
Energy: 0.4514131745263178
Energy: 0.582513968426617
Energy: 0.45056535464294367
Energy: 0.46655592245221045
Energy: 0.48930602479604446
Energy: 0.44978427684789263
Energy: 0.46678117438209216
Energy: 0.45859260525230494
Energy: 0.45381039163750736
Energy: 0.45450354888009553
Energy: 0.4565190404258919
Energy: 0.45454421724562954
Energy: 0.45569898790758856
Energy: 0.4519628689765133
Energy: 0.4530016429179092
Energy: 0.45247229326553506
Energy: 0.45454159908155417
Energy: 0.45304054014502354
Energy: 0.45104325793531597
Energy: 0.44983988980143874
Energy: 0.4562443089411181
Energy: 0.4629947326429188
Energy: 0.45073306098661026
Energy: 0.45124470553208923
Energy: 0.4631190032633815
Energy: 0.4506677904864742
Energy: 0.45165713427050735
Energy: 0.45415269671938935
Energy: 0.4510494776419251
Energy: 0.4531934258883422
Energy: 0.4507484786711121
Energy: 0.4550145810540364
Energy: 0.4515413871568205
Energy: 0.45064135688328866
Energy: 0.4620927477794399
Energy: 0.4513099894340167
Energy: 0.4535411554716648
Energy: 0.453892307209107
Energy: 0.4635669310424017
Energy: 0.4638697145110201
Energy: 0.46760449440756324
Energy: 0.45292478524343144
Energy: 0.4592932390744962

minimum gb energy = 0.4423121762471541 eV
minimum distance =  2.66266239315991 Angstroms
sigma value = 81


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

Energy: 0.7540104941158162
Energy: 0.4115519875470385
Energy: 0.4123453966125688
Energy: 0.4952155337556005
Energy: 0.4822391799505916
Energy: 0.4134144636607048
Energy: 0.4104569216167693
Energy: 0.42454603650493494
Energy: 0.4243820469426184
Energy: 0.42268570595140487
Energy: 0.4238447153136069
Energy: 0.42509859113475484
Energy: 0.42199356140017974
Energy: 0.4217419113533332
Energy: 0.41952547329132983
Energy: 0.4255449241578959
Energy: 0.419841566657236
Energy: 0.42225261511000955
Energy: 0.41894787608439793
Energy: 0.4199368504769233
Energy: 0.42268075397329624
Energy: 0.41930911890737493
Energy: 0.41884213901087164
Energy: 0.4219957284955662
Energy: 0.41960793649358213
Energy: 0.42279516372150877
Energy: 0.4224393462935612
Energy: 0.41976462266956976
Energy: 0.4243747156438347
Energy: 0.4214028862565305
Energy: 0.42560293250704195
Energy: 0.4237703445918506
Energy: 0.4226967122772676
Energy: 0.42475745178963537
Energy: 0.426630837668878
Energy: 0.4221495199067076
Energy: 0.41696990355829094
Energy: 0.42584784269791454
Energy: 0.42557806869148923
Energy: 0.4234997263629612
Energy: 0.4254459624369438
Energy: 0.42840306801472156
Energy: 0.5113282985007118
Energy: 0.4508452863961072
Energy: 0.4512697422966925
Energy: 0.42576873745186966
Energy: 0.45144840661999613
Energy: 0.42437086931035795
Energy: 0.417728044760653
Energy: 0.42552762733905863
Energy: 0.426629156464995
Energy: 0.4226271163686563
Energy: 0.4236923485685442
Energy: 0.4271650407596227
Energy: 0.4289367728336902
Energy: 0.41666675923380286
Energy: 0.41458608929704616
Energy: 0.42883872591051553
Energy: 0.4184520974155024
Energy: 0.4127866570922172
Energy: 0.42425489680667744
Energy: 0.4219389726312476
Energy: 0.4198596535881943
Energy: 0.4249155735145612
Energy: 0.4189809079835572
Energy: 0.42419418948160376
Energy: 0.4111574623327158
Energy: 0.4224025060173945
Energy: 0.42222826504525307
Energy: 0.4102657154221036
Energy: 0.42548901423941815
Energy: 0.42272529656256685
Energy: 0.4112571925476085
Energy: 0.4224993243449041
Energy: 0.4204824163585487
Energy: 0.4202933707752737
Energy: 0.421494934918599
Energy: 0.4201038794886007
Energy: 0.4224280873248701
Energy: 0.42211490118851464
Energy: 0.4220247733151942
Energy: 0.42342976289983136
Energy: 0.41815670274700156
Energy: 0.42282606065892625
Energy: 0.5160714912571235
Energy: 0.42634923631375043
Energy: 0.420733498974758
Energy: 0.4247692280581286
Energy: 0.4236486717648205
Energy: 0.4221805449873473
Energy: 0.4222302732426141
Energy: 0.42535427676149934
Energy: 0.4251633651888229
Energy: 0.42263483793982115
Energy: 0.4254433795945981
Energy: 0.4261625649896138
Energy: 0.4801844666841359
Energy: 0.42325432512347044
Energy: 0.42191463812370245
Energy: 0.452122860344279
Energy: 0.4146699996216683
Energy: 0.4254374167322448
Energy: 0.41982844437886885
Energy: 0.42728273383113047
Energy: 0.43061472888624075
Energy: 0.4247500434850719
Energy: 0.42348843345969156
Energy: 0.42597857527741967
Energy: 0.4137760046022157
Energy: 0.4255129578508547
Energy: 0.41425506939326795
Energy: 0.4181066593032252
Energy: 0.42707181314155124
Energy: 0.4163733655231862
Energy: 0.4130175529436301
Energy: 0.4231556735724748
Energy: 0.4136287408111807
Energy: 0.4199954642030307
Energy: 0.4276449579201077
Energy: 0.41533314256276127
Energy: 0.41909945939993365
Energy: 0.4269086070730033
Energy: 0.4247469198277645
Energy: 0.42387858752807334
Energy: 0.42350945769721327
Energy: 0.42440969299974624
Energy: 0.42295112956999964
Energy: 0.4198961921062154
Energy: 0.42023670583513484
Energy: 0.424384792792249
Energy: 0.4204773094024532
Energy: 0.42017492314290894
Energy: 0.41711459198650375
Energy: 0.4239043169013406
Energy: 0.4216401981660999
Energy: 0.4175036538158888
Energy: 0.4269007158094566
Energy: 0.42554365101414027
Energy: 0.4225517506672051
Energy: 0.42109027938631616
Energy: 0.4207840975288355
Energy: 0.4240346579558035
Energy: 0.42219250431260946
Energy: 0.420572581836528
Energy: 0.4192092692990983
Energy: 0.42715378178799474
Energy: 0.425428735417348
Energy: 0.42343512055962673
Energy: 0.42647033928758454
Energy: 0.4243194047929596
Energy: 0.4779990674045195
Energy: 0.4520051849060372
Energy: 0.45301520271812323
Energy: 0.4343670797336111
Energy: 0.4515801139300792
Energy: 0.45434696510681744
Energy: 0.42378206824644604
Energy: 0.4228555677686309
Energy: 0.42308084147651004
Energy: 0.4308805144024561
Energy: 0.42711473766784785
Energy: 0.4309827329896794
Energy: 0.41969032497275033
Energy: 0.42221605593633077
Energy: 0.4258870424400661
Energy: 0.42382403961399095
Energy: 0.4187203650420114
Energy: 0.42434657116118485
Energy: 0.4253521348229538
Energy: 0.41542051758908993
Energy: 0.4135856758094453
Energy: 0.4296170445029401
Energy: 0.41777215984027866
Energy: 0.411116156981557
Energy: 0.42183073320244896
Energy: 0.42561384047315287
Energy: 0.42550670583325473
Energy: 0.4221592379084764
Energy: 0.4292151386374731
Energy: 0.42512084246538906
Energy: 0.4105033380535398
Energy: 0.4241971266406951
Energy: 0.4229142898967027
Energy: 0.41925513466818265
Energy: 0.4238814507390178
Energy: 0.4213361930246597
Energy: 0.42256620895127817
Energy: 0.4194041802445438
Energy: 0.423066830947995
Energy: 0.42436811536939034
Energy: 0.41842708725866934
Energy: 0.42224499710974117
Energy: 0.42474565498068545
Energy: 0.42202845312925663
Energy: 0.4216213640199185
Energy: 0.42440791135892186
Energy: 0.426699615703289
Energy: 0.4221190369392436
Energy: 0.42298734402372573
Energy: 0.42224253162283565
Energy: 0.42199399379338726
Energy: 0.4221858067979522
Energy: 0.42565414388536665
Energy: 0.42278470455487355
Energy: 0.42469427240519053
Energy: 0.4274334218428916
Energy: 0.4295595822679694
Energy: 0.4251565159511419
Energy: 0.4322784564759626
Energy: 0.4260561120807968
Energy: 0.48186923703768686
Energy: 0.4273209024788325
Energy: 0.42233853403312727
Energy: 0.4522394447140225
Energy: 0.4275902798418459
Energy: 0.45324289919324967
Energy: 0.41776102448789665
Energy: 0.4250998001362669
Energy: 0.42480230782531714
Energy: 0.4226141696867235
Energy: 0.423760709408808
Energy: 0.4272356699438942
Energy: 0.6100094669226077
Energy: 0.4516581630803818
Energy: 0.4120593109398396
Energy: 0.4150778359858089
Energy: 0.42687513678210703
Energy: 0.41224184115533163

minimum gb energy = 0.4102657154221036 eV
minimum distance =  2.69705540091713 Angstroms
sigma value = 43


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

Energy: 0.6492938869223603
Energy: 0.4599501841362704
Energy: 0.4399229007878663
Energy: 0.44192559124002206
Energy: 0.5267380416684591
Energy: 0.4385919431297516
Energy: 0.4252860356859746
Energy: 0.4417185698578154
Energy: 0.44623754995007486
Energy: 0.46640962869203045
Energy: 0.44191183453129834
Energy: 0.43514749489269305
Energy: 0.4840100902762297
Energy: 0.42776436156746617
Energy: 0.4274266509120489
Energy: 0.4515098986110248
Energy: 0.42777126265549004
Energy: 0.4352715371713665
Energy: 0.43259909626140725
Energy: 0.42543498014309433
Energy: 0.4365121261560741
Energy: 0.43253006570814123
Energy: 0.43178489334288933
Energy: 0.4358243066285667
Energy: 0.4309901595128437
Energy: 0.43767613137575523
Energy: 0.4348671296241189
Energy: 0.433041819775962
Energy: 0.43340482084015725
Energy: 0.43463505965649374
Energy: 0.4322731645412364
Energy: 0.43496663557061455
Energy: 0.4334579402276599
Energy: 0.43539835048046244
Energy: 0.43526665692724886
Energy: 0.43359575007822143
Energy: 0.4333698337321378
Energy: 0.4368184579209489
Energy: 0.4328542908324886
Energy: 0.43672410438611614
Energy: 0.43176843168963214
Energy: 0.43481424214405107
Energy: 0.48619473514775535
Energy: 0.4302551931619637
Energy: 0.43029497961616037
Energy: 0.4365471553176175
Energy: 0.430106881022125
Energy: 0.4320104662157202
Energy: 0.43272089911534917
Energy: 0.4302190235648884
Energy: 0.4317040598799741
Energy: 0.43352457358425656
Energy: 0.430672886740725
Energy: 0.434631528857488
Energy: 0.4319321465492742
Energy: 0.4372333010150593
Energy: 0.4372141500958259
Energy: 0.44602655170645006
Energy: 0.45003155553100854
Energy: 0.4368182249350395
Energy: 0.4371188173371265
Energy: 0.4450447300083382
Energy: 0.45219040125523735
Energy: 0.43247704983520935
Energy: 0.4336867057785065
Energy: 0.44666621227457864
Energy: 0.43978875058303607
Energy: 0.43232030462063215
Energy: 0.4354864903618668
Energy: 0.43382094631706475
Energy: 0.43239718471844435
Energy: 0.4350219194378859
Energy: 0.4400303523964407
Energy: 0.43402001915751637
Energy: 0.4414715916116708
Energy: 0.4298785798624727
Energy: 0.4333608481550132
Energy: 0.4413401920011525
Energy: 0.4369408389114186
Energy: 0.4340121984953459
Energy: 0.4367250827328395
Energy: 0.43568463992765444
Energy: 0.4328876226805432
Energy: 0.4414571207971777
Energy: 0.4370664592001439
Energy: 0.4394997906923758
Energy: 0.4396240658655263
Energy: 0.44129404517321386
Energy: 0.4308356890512373
Energy: 0.43887690548133873
Energy: 0.43728820119643574
Energy: 0.4376464637593935
Energy: 0.4414033665670716
Energy: 0.4372537447647404
Energy: 0.43427749487014616
Energy: 0.4420261952212225
Energy: 0.43744387437521587
Energy: 0.4527462561477367
Energy: 0.45274815911205746
Energy: 0.43760714340243023
Energy: 0.43926790778113284
Energy: 0.4371322298437217
Energy: 0.43678492266339347
Energy: 0.4473978119101292
Energy: 0.452292041069701
Energy: 0.44478582171351816
Energy: 0.444887952290351
Energy: 0.44384161872850325
Energy: 0.4344503709234368
Energy: 0.43685934034681323
Energy: 0.44389381475318895
Energy: 0.43598157539514865
Energy: 0.4368176573644444
Energy: 0.438028692521739
Energy: 0.43431012423490806
Energy: 0.4370568292271661
Energy: 0.44369131997076827
Energy: 0.4374175602283279
Energy: 0.43711658970566414
Energy: 0.43556995267627396
Energy: 0.4364255508481513
Energy: 0.44858129614384046
Energy: 0.4476864798368931
Energy: 0.4507990133887513
Energy: 0.4411852667733783
Energy: 0.4445942878281741
Energy: 0.4934308386600895
Energy: 0.4422253900856162
Energy: 0.439519412614643
Energy: 0.4761077132677125
Energy: 0.4267922852665273
Energy: 0.48390187182949723
Energy: 0.4476787896611217
Energy: 0.44835598586659253
Energy: 0.44838018270641894
Energy: 0.4453406434525339
Energy: 0.44511628854797125
Energy: 0.4506440217348967
Energy: 0.47363632823296387
Energy: 0.43714858502732723
Energy: 0.43687581476168963
Energy: 0.45578612724477363
Energy: 0.43847617567132297
Energy: 0.4430652616482252
Energy: 0.48751659054802776
Energy: 0.43675263076239923
Energy: 0.43724380416873115
Energy: 0.44160638752907355
Energy: 0.4367342445867027
Energy: 0.44330339708438826
Energy: 0.4698433681705984
Energy: 0.44241765734660177
Energy: 0.44030231102953876
Energy: 0.4446673359301037
Energy: 0.43809403100922056
Energy: 0.43974313312568813
Energy: 0.469519930845871
Energy: 0.44261258850631946
Energy: 0.4444453562856961
Energy: 0.4356946872049152
Energy: 0.4421824790538981
Energy: 0.4441584481439372
Energy: 0.47061767868449106
Energy: 0.43838113474604296
Energy: 0.4370284573430026
Energy: 0.43150474918655
Energy: 0.43562048630534095
Energy: 0.4360734108063935
Energy: 0.42865671155798785
Energy: 0.4351662192014312
Energy: 0.4341210253625543
Energy: 0.42861287978010526
Energy: 0.4363013881750023
Energy: 0.43302715180633833
Energy: 0.4331338600931148
Energy: 0.43827058807769625
Energy: 0.4372550919161951
Energy: 0.4295338084813297
Energy: 0.4329701492272252
Energy: 0.43380321536619865
Energy: 0.4302428721351098
Energy: 0.4590765649946726
Energy: 0.4474412566374661
Energy: 0.4423947291840548
Energy: 0.4636129302122905
Energy: 0.4274159668447034

minimum gb energy = 0.4252860356859746 eV
minimum distance =  2.67805664191035 Angstroms
sigma value = 57


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

Energy: 0.6157775151915328
Energy: 0.4460865602459726
Energy: 0.4461731548171267
Energy: 0.4206993370118028
Energy: 0.4991522848859867
Energy: 0.4466147558639396
Energy: 0.4202191477556388
Energy: 0.44006071720608236
Energy: 0.4312685495869242
Energy: 0.45242978861893457
Energy: 0.4510228757029417
Energy: 0.4321108307609187
Energy: 0.4564531045673311
Energy: 0.41450640306070596
Energy: 0.4125625262257497
Energy: 0.44172573828615846
Energy: 0.4136834408716998
Energy: 0.4136550097527019
Energy: 0.44230585115082144
Energy: 0.4117617752571217
Energy: 0.412358295327469
Energy: 0.4425405851905778
Energy: 0.41199587687652794
Energy: 0.4336610457580912
Energy: 0.4492151723574445
Energy: 0.42816822548654476
Energy: 0.4281356948428191
Energy: 0.43530873474286913
Energy: 0.43169726933093744
Energy: 0.4350566062139896
Energy: 0.4129369649689444
Energy: 0.4306578396477365
Energy: 0.4271786723421166
Energy: 0.43399510752712284
Energy: 0.42966840716634347
Energy: 0.428390419408862
Energy: 0.451464067974967
Energy: 0.4336290502910198
Energy: 0.43328352718175944
Energy: 0.43523088587325837
Energy: 0.4448538190544978
Energy: 0.43152908713020094
Energy: 0.45400428819429317
Energy: 0.4347693841482404
Energy: 0.42679208053333534
Energy: 0.43100568046260473
Energy: 0.43708095431860833
Energy: 0.4386129374595361
Energy: 0.45101713214343203
Energy: 0.43201271115196066
Energy: 0.428662032815588
Energy: 0.45222293239982253
Energy: 0.45046497857611134
Energy: 0.4323887445765344
Energy: 0.4334891854983337
Energy: 0.4325701552103288
Energy: 0.4355899338344915
Energy: 0.4328826712940806
Energy: 0.4357765218066888
Energy: 0.4422042438601882
Energy: 0.4554553865876842
Energy: 0.42994078544179687
Energy: 0.4342112316341401
Energy: 0.43888643231949903
Energy: 0.43127360468156634
Energy: 0.4302006445207468
Energy: 0.4188684605074657
Energy: 0.4506219327181455
Energy: 0.43243114740202926
Energy: 0.41921138447673356
Energy: 0.45235102917885733
Energy: 0.4306702276178233
Energy: 0.4205790112518018
Energy: 0.44302442728185143
Energy: 0.4606231415635801
Energy: 0.41643872639643814
Energy: 0.4591955285484855
Energy: 0.4124456555055001
Energy: 0.45300485600342383
Energy: 0.4338284005684957
Energy: 0.4320365140588445
Energy: 0.4520425352829302
Energy: 0.4286966769090358
Energy: 0.4333988523230382
Energy: 0.43109340995993967
Energy: 0.41895831398229055
Energy: 0.42026800263965863
Energy: 0.42995639225198284
Energy: 0.4116775007287087
Energy: 0.42077819753419266
Energy: 0.444514159773271
Energy: 0.43266008342326073
Energy: 0.4313655232920379
Energy: 0.4447881617371146
Energy: 0.4312238262524187
Energy: 0.43141295978970085
Energy: 0.45186296425500805
Energy: 0.43116071717404514
Energy: 0.43115354972571956
Energy: 0.42880170659083583
Energy: 0.4307740736706143
Energy: 0.428968499577451
Energy: 0.45182749059974403
Energy: 0.4327786890989
Energy: 0.4331135248549232
Energy: 0.4272085344228447
Energy: 0.4343632205302506
Energy: 0.4344412049924668
Energy: 0.45278136363595595
Energy: 0.4437512598188582
Energy: 0.4338810474226322
Energy: 0.43053989205797466
Energy: 0.4425554492962693
Energy: 0.43040802055456184
Energy: 0.4530488103708594
Energy: 0.442904567436133
Energy: 0.4348018190556717
Energy: 0.4309739544170668
Energy: 0.4426697056622052
Energy: 0.4304781599165015
Energy: 0.4379609784874382
Energy: 0.4301684829320348
Energy: 0.4323088486543636
Energy: 0.4396770633358421
Energy: 0.4527120069626546
Energy: 0.4318890451406975
Energy: 0.47082112977560586
Energy: 0.4349966460849014
Energy: 0.42819817218137857
Energy: 0.42911912062350455
Energy: 0.4392128064684355
Energy: 0.43515377329832844
Energy: 0.4529317572770456
Energy: 0.4364610906669809
Energy: 0.43028410510729537
Energy: 0.42891737811650055
Energy: 0.4528902435138525
Energy: 0.4323890166983448
Energy: 0.4207011057828045
Energy: 0.4425323281589984
Energy: 0.46038910458248844
Energy: 0.41719149475161843
Energy: 0.42654017483244067
Energy: 0.4120799637004583

minimum gb energy = 0.4116775007287087 eV
minimum distance =  2.69753073655794 Angstroms
sigma value = 17


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

Energy: 0.7270886365773694
Energy: 0.4944469540419966
Energy: 0.4745978097476382
Energy: 0.4236207597448932
Energy: 0.46293928046823934
Energy: 0.4319264209549659
Energy: 0.4324397027351895
Energy: 0.4775957635214826
Energy: 0.43389737011224117
Energy: 0.48452064361173347
Energy: 0.47825751064299993
Energy: 0.44015290394121404
Energy: 0.4168091410024853
Energy: 0.41342154475783444
Energy: 0.412929650068574
Energy: 0.4666849694718213
Energy: 0.41313765240461486
Energy: 0.42336494409249964
Energy: 0.4675535563156456
Energy: 0.4222373235990569
Energy: 0.42214634792073846
Energy: 0.4678378224911819
Energy: 0.3893158878979002
Energy: 0.4382853037371225
Energy: 0.4209301435535106
Energy: 0.4097389883653167
Energy: 0.40686072894962966
Energy: 0.42151332638427064
Energy: 0.4134873979424511
Energy: 0.40776599161400895
Energy: 0.42382559819588494
Energy: 0.4144986160524848
Energy: 0.4062169099187079
Energy: 0.3926230106139464
Energy: 0.42007281872208746
Energy: 0.39120264954169
Energy: 0.4195638966892852
Energy: 0.41527208318405606
Energy: 0.4158193150540761
Energy: 0.4149299357307451
Energy: 0.41791469191252706
Energy: 0.4026474970259748
Energy: 0.41169034279600114
Energy: 0.3910607155600155
Energy: 0.39119228595183747
Energy: 0.3910836239965299
Energy: 0.3908363598945464
Energy: 0.39091475040009105
Energy: 0.4166404764174359
Energy: 0.389243851271018
Energy: 0.3892611316736262
Energy: 0.4176221369511697
Energy: 0.39033136307732247
Energy: 0.40372857339894297
Energy: 0.419886342083183
Energy: 0.4059910526339862
Energy: 0.4062485567198129
Energy: 0.42006774774535255
Energy: 0.4053272235378889
Energy: 0.40592366791674606
Energy: 0.41143053776373983
Energy: 0.40705877688422415
Energy: 0.40768596070728447
Energy: 0.4134620319181761
Energy: 0.42181109794348487
Energy: 0.4070856321590519
Energy: 0.42188769825491335
Energy: 0.46915014560843676
Energy: 0.4676702096264083
Energy: 0.4044248340552479
Energy: 0.4694134643921544
Energy: 0.4428350061937801
Energy: 0.41428443003094545
Energy: 0.4667729292053883
Energy: 0.46282755766042505
Energy: 0.40366895832537714
Energy: 0.4664631476961416
Energy: 0.4629472168894585
Energy: 0.42018661044991834
Energy: 0.48092824078688456
Energy: 0.432506693332305
Energy: 0.42199602178728274
Energy: 0.48521273694172723
Energy: 0.4381564156514952
Energy: 0.44981636155650995
Energy: 0.4662729291657977
Energy: 0.4665808370870518
Energy: 0.46425638635456057
Energy: 0.4663653674186114
Energy: 0.4550300098747657
Energy: 0.41838897012923176
Energy: 0.48083990694138057
Energy: 0.4330941580207071
Energy: 0.47809754205508914
Energy: 0.48701997093157323
Energy: 0.43212566244232675
Energy: 0.4015469475396116
Energy: 0.4668523167833277
Energy: 0.49619524918325414
Energy: 0.41624670701751254
Energy: 0.4664694880362893
Energy: 0.46952731780229306

minimum gb energy = 0.389243851271018 eV
minimum distance =  2.6514217272839 Angstroms
sigma value = 17


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

Energy: 0.7720045216132542
Energy: 0.4966438465512781
Energy: 0.4301438245113045
Energy: 0.4065521948313044
Energy: 0.6362220171583439
Energy: 0.431001237396965
Energy: 0.4366650648305773
Energy: 0.3945637105943217
Energy: 0.3891595576087203
Energy: 0.48214787079087745
Energy: 0.4889229041074208
Energy: 0.428931389611368
Energy: 0.5647993332556194
Energy: 0.37132865612909755
Energy: 0.39883497641551013
Energy: 0.48138388174782254
Energy: 0.3710651308812928
Energy: 0.40246406200599116
Energy: 0.47793631156835525
Energy: 0.42201156875089174
Energy: 0.42140898258339926
Energy: 0.47834167608750894
Energy: 0.3717658406507361
Energy: 0.4341728506120562
Energy: 0.41491166017295794
Energy: 0.39263639649388765
Energy: 0.39403747383440585
Energy: 0.41524517828452256
Energy: 0.4038678568540853
Energy: 0.3901131470023038
Energy: 0.41996704853930295
Energy: 0.389958248129605
Energy: 0.3688828729907317
Energy: 0.3732291688138702
Energy: 0.4093481994915086
Energy: 0.36963340468359135
Energy: 0.38182069494714105
Energy: 0.4142597478851081
Energy: 0.4093539728233926
Energy: 0.3659600037894634
Energy: 0.4112600794467212
Energy: 0.36442558848697565
Energy: 0.39918508820202275
Energy: 0.3631307490527175
Energy: 0.36656818562693805
Energy: 0.36631344556207607
Energy: 0.3592608525572147
Energy: 0.3670941386204211
Energy: 0.38228038025675726
Energy: 0.3772211682426808
Energy: 0.37831371282698417
Energy: 0.38317110567870594
Energy: 0.373325924216581
Energy: 0.38147508007056663
Energy: 0.38146819418436057
Energy: 0.3600666292185153
Energy: 0.3605458937502238
Energy: 0.38157395241158676
Energy: 0.36054549529957913
Energy: 0.3601737905468092
Energy: 0.39228280759434536
Energy: 0.35972477871211067
Energy: 0.35951212152422674
Energy: 0.3604032832284256
Energy: 0.3817286687478455
Energy: 0.36006571042878704
Energy: 0.38343204189072927
Energy: 0.38782387495826276
Energy: 0.3816264482883166
Energy: 0.38343103427131087
Energy: 0.38506479755876666
Energy: 0.37833710846643565
Energy: 0.39337674032027464
Energy: 0.36720077390520633
Energy: 0.36753316456674656
Energy: 0.3644993936683999
Energy: 0.392448815378731
Energy: 0.36989009722632543
Energy: 0.4086572713503888
Energy: 0.3648005787524785
Energy: 0.36430949422993764
Energy: 0.4096391765471916
Energy: 0.36436753576430736
Energy: 0.40917257426793135
Energy: 0.40907192747871046
Energy: 0.36931990794937436
Energy: 0.368077007692872
Energy: 0.409121342116409
Energy: 0.3690891685595063
Energy: 0.38503442252302633
Energy: 0.47598141391896215
Energy: 0.41092935904584277
Energy: 0.3895339809348089
Energy: 0.40394512501988294
Energy: 0.41542593859717025
Energy: 0.39296069163347164
Energy: 0.38217112715603585
Energy: 0.4836058468426168
Energy: 0.45900941092660585
Energy: 0.37812685937398544
Energy: 0.4812060871295276
Energy: 0.3955306357116622
Energy: 0.38215991750774925
Energy: 0.47253607342270515
Energy: 0.4685629412695629
Energy: 0.3788372706570481
Energy: 0.48041047831776273
Energy: 0.4023586119155985
Energy: 0.4765458279563416
Energy: 0.46427949096596816
Energy: 0.4293422339150994
Energy: 0.41368936508034665
Energy: 0.3979979318645383
Energy: 0.3891764320775984
Energy: 0.564030757146178
Energy: 0.4053369614772298
Energy: 0.40537704602563085
Energy: 0.4549570164881176
Energy: 0.40549840887201444
Energy: 0.4531803069031834
Energy: 0.46325168764088986
Energy: 0.45570664232853897
Energy: 0.4282080456575852
Energy: 0.4776371707286313
Energy: 0.4416098432920137
Energy: 0.38912528122904505
Energy: 0.3878906423786222
Energy: 0.45174479926797945
Energy: 0.48698223535026736
Energy: 0.37334555956596344
Energy: 0.4639006337847332
Energy: 0.423896082450427
Energy: 0.3901505764456287
Energy: 0.47193681134561155
Energy: 0.3909411525385225
Energy: 0.3858997159002676
Energy: 0.4702638061031108
Energy: 0.45121492954056774
Energy: 0.5633249213386801
Energy: 0.41228703659179367
Energy: 0.3905317179798231
Energy: 0.477578433404066
Energy: 0.3841620729386872
Energy: 0.46796073964910306
Energy: 0.4848576484121918
Energy: 0.3733095414124873
Energy: 0.398861620871948
Energy: 0.4782156277167845
Energy: 0.37332375740436485
Energy: 0.40286151901045864
Energy: 0.41747555975867123
Energy: 0.4057703748891397
Energy: 0.3922227782972023
Energy: 0.41614554153228206
Energy: 0.4042424755745413
Energy: 0.40452203656115643
Energy: 0.3754572157438471
Energy: 0.39438924203822945
Energy: 0.39507542445955957
Energy: 0.37102919816456775
Energy: 0.3933454728872716
Energy: 0.3794177721990352
Energy: 0.3797077549556926
Energy: 0.4133517492988823
Energy: 0.40824179619693535
Energy: 0.3802268852376168
Energy: 0.4106518600376709
Energy: 0.4082815046843033
Energy: 0.3953881784466694
Energy: 0.36562125437966414
Energy: 0.36576422142486453
Energy: 0.36489432955047374
Energy: 0.4096619024878107
Energy: 0.36591864627547616
Energy: 0.3882353656396467
Energy: 0.3601892812712065
Energy: 0.36482637633511106
Energy: 0.3875033377367399
Energy: 0.35859984097151043
Energy: 0.3671888225790046
Energy: 0.3849902306535338
Energy: 0.3592354496763735
Energy: 0.35861251230019203
Energy: 0.38591150263055335
Energy: 0.3588144309250262
Energy: 0.35829164727458096
Energy: 0.3891656015855147
Energy: 0.3592382793580949
Energy: 0.3596195933757101
Energy: 0.3589577725518344
Energy: 0.35838468655421185
Energy: 0.3595992730637337
Energy: 0.3869755283327514
Energy: 0.38586325400112487
Energy: 0.3811375289418706
Energy: 0.38767276287276564
Energy: 0.3825985681744646
Energy: 0.38151859719773157
Energy: 0.3788777162148374
Energy: 0.36768089700539697
Energy: 0.36369273249160217
Energy: 0.36550811147000317
Energy: 0.3676411089472107
Energy: 0.3644447376427226
Energy: 0.4137262964214743
Energy: 0.36393757437977753
Energy: 0.3637910393499955
Energy: 0.41464050865880436
Energy: 0.36405916692577434
Energy: 0.3644233556368271
Energy: 0.41405537758202704
Energy: 0.3650184242039306
Energy: 0.3892538203875972
Energy: 0.41474961500709007
Energy: 0.3649422554087585
Energy: 0.40613935667246026
Energy: 0.5319918662791109
Energy: 0.3854415033209097
Energy: 0.39168068051433913
Energy: 0.40527648181245585
Energy: 0.4102181667811675
Energy: 0.39034814701375
Energy: 0.38586897306288426
Energy: 0.4047996791867389
Energy: 0.4040043745589248
Energy: 0.3985485379210069
Energy: 0.4773585577677269
Energy: 0.4046503798240061
Energy: 0.3818700854340916
Energy: 0.4459060453820679
Energy: 0.40371184629938617
Energy: 0.3854216818520606
Energy: 0.44970067917385237
Energy: 0.39964969001774237
Energy: 0.40925385700129113
Energy: 0.45420323495397835
Energy: 0.47053113870763574
Energy: 0.4160300642760732
Energy: 0.47884375788840444
Energy: 0.42754939325315
Energy: 0.5352690664227072
Energy: 0.3905101318880527
Energy: 0.45003054363744577
Energy: 0.479348947964973
Energy: 0.3918209467070052
Energy: 0.4544748985733037
Energy: 0.5621651156214581
Energy: 0.4359256796005743
Energy: 0.390544609129679
Energy: 0.4779502949467546
Energy: 0.4088892460515136
Energy: 0.468440240335345
Energy: 0.3905730798091004
Energy: 0.4713531255766525
Energy: 0.4683299595813697
Energy: 0.3868459796136439
Energy: 0.4696514072530742
Energy: 0.4371336803192183

minimum gb energy = 0.35829164727458096 eV
minimum distance =  2.6782832346504 Angstroms
sigma value = 57


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

Energy: 0.3580521547193351
Energy: 0.4479471465276324
Energy: 0.4101073324125041
Energy: 0.3597456687155873
Energy: 0.5670828414788446
Energy: 0.4109329660060165
Energy: 0.4308886105096435
Energy: 0.3734836894649792
Energy: 0.3695887280146745
Energy: 0.4677597883522135
Energy: 0.37149146194977484
Energy: 0.37080084929599944
Energy: 0.5348055916236616
Energy: 0.3550391821921201
Energy: 0.3558983042359969
Energy: 0.46805935525428977
Energy: 0.3529019413974893
Energy: 0.38664454141444426
Energy: 0.45890227231553476
Energy: 0.35647761641059356
Energy: 0.40877179707124356
Energy: 0.3928699241830935
Energy: 0.3531155712620543
Energy: 0.41181557365140536
Energy: 0.3960013697934801
Energy: 0.37328338228341046
Energy: 0.37516039611952884
Energy: 0.3964463129029272
Energy: 0.39044846608793665
Energy: 0.3713629791594429
Energy: 0.35061583371680705
Energy: 0.3699894402388548
Energy: 0.3519953883915485
Energy: 0.34203324978152644
Energy: 0.41096866656005954
Energy: 0.3531152326605097
Energy: 0.3791363166184091
Energy: 0.4052362434886704
Energy: 0.4082143252942833
Energy: 0.3454279083788423
Energy: 0.4030103870508003
Energy: 0.3449290080625657
Energy: 0.4848584189162904
Energy: 0.3428720641167283
Energy: 0.342616796634199
Energy: 0.39460544973365136
Energy: 0.3353914303958119
Energy: 0.35171648873566136
Energy: 0.37025232565241134
Energy: 0.36286617867742654
Energy: 0.3608954049289198
Energy: 0.37081683011282723
Energy: 0.3551170967531988
Energy: 0.37722356989352707
Energy: 0.3770624377271768
Energy: 0.3346689053904379
Energy: 0.3358501641105585
Energy: 0.3773961248216442
Energy: 0.33533064886689695
Energy: 0.33396750228765737
Energy: 0.35721774418698937
Energy: 0.3638909533821784
Energy: 0.3407475632815847
Energy: 0.33558031917916786
Energy: 0.36246980021444514
Energy: 0.3395731009419746
Energy: 0.37036518153451714
Energy: 0.35933219621718454
Energy: 0.3624396469452562
Energy: 0.34879218998945855
Energy: 0.35662774260616215
Energy: 0.33233198685118975
Energy: 0.36298932831595354
Energy: 0.367904960834205
Energy: 0.3342982929368494
Energy: 0.33351235022836884
Energy: 0.37142897498646854
Energy: 0.3343044859504932
Energy: 0.3544225433642946
Energy: 0.332363732036102
Energy: 0.34501259095314946
Energy: 0.3554246844075147
Energy: 0.35291184883790727
Energy: 0.36285759028611386
Energy: 0.36610404769415794
Energy: 0.33485982073167986
Energy: 0.33385333452709415
Energy: 0.3544672759335882
Energy: 0.3376076264250669
Energy: 0.3336501129310837
Energy: 0.37862332833254264
Energy: 0.3767134560050405
Energy: 0.33503789957127
Energy: 0.33558205155227694
Energy: 0.37508992884934395
Energy: 0.3347997414761019
Energy: 0.3548905189953677
Energy: 0.37510448656034046
Energy: 0.37719290868261307
Energy: 0.3382815528920394
Energy: 0.3727795082224419
Energy: 0.3501910294627705
Energy: 0.3555261763323574
Energy: 0.3499468358352794
Energy: 0.3497696908669107
Energy: 0.3562078018894327
Energy: 0.3510273505432141
Energy: 0.35021955882118166
Energy: 0.4009677618192842
Energy: 0.3453939023255042
Energy: 0.37356825874102506
Energy: 0.4015380560064063
Energy: 0.35129488670128634
Energy: 0.40918637416179965
Energy: 0.4560665300873741
Energy: 0.35293307109167243
Energy: 0.35328676960695937
Energy: 0.3905715571866322
Energy: 0.35043480696260915
Energy: 0.3696108984493357
Energy: 0.5062744255195355
Energy: 0.39226269736628955
Energy: 0.3919775326253174
Energy: 0.39035077479942815
Energy: 0.3917670281561033
Energy: 0.37360164014699976
Energy: 0.353746110588667
Energy: 0.4401973938505713
Energy: 0.39006701878249805
Energy: 0.3448149176553277
Energy: 0.4694093543545182
Energy: 0.3710257190959903
Energy: 0.37126515649391495
Energy: 0.429566801200898
Energy: 0.41995599776290954
Energy: 0.36190475082373025
Energy: 0.4670204716311413
Energy: 0.4199868308660534
Energy: 0.5040003549541738
Energy: 0.39323976028000707
Energy: 0.37282290651665506
Energy: 0.3914238677400298
Energy: 0.38953442242759617
Energy: 0.37126877905503175
Energy: 0.5376123380103344
Energy: 0.36732649977871734
Energy: 0.3710356525704354
Energy: 0.4432792110432816
Energy: 0.3684148048143345
Energy: 0.4272942330884193
Energy: 0.5013688309021378
Energy: 0.4173907323646192
Energy: 0.3702466990181457
Energy: 0.46460518591632327
Energy: 0.41603194417823885
Energy: 0.391525360513306
Energy: 0.3570374764874557
Energy: 0.4225333801513122
Energy: 0.40874143071953
Energy: 0.3543890274908922
Energy: 0.4213367005476395
Energy: 0.38293459654537276

minimum gb energy = 0.33233198685118975 eV
minimum distance =  2.69925793052219 Angstroms
sigma value = 43


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

Energy: 0.3084175016249363
Energy: 0.3543470018325182
Energy: 0.36246278675723786
Energy: 0.3044062019944216
Energy: 0.40711723445040254
Energy: 0.3413338722538317
Energy: 0.44279848926449467
Energy: 0.31152599989250146
Energy: 0.3077121948001731
Energy: 0.31087594232029164
Energy: 0.31658847774553006
Energy: 0.30829281089088106
Energy: 0.45945068979241277
Energy: 0.2947798123003275
Energy: 0.306137139000032
Energy: 0.33884838371001014
Energy: 0.2952043270243318
Energy: 0.3055281415020902
Energy: 0.4027717936768821
Energy: 0.30528205316148166
Energy: 0.3075545438802239
Energy: 0.3412014549255276
Energy: 0.34023596061284456
Energy: 0.3522737504451636
Energy: 0.35607281878204816
Energy: 0.31102298931058997
Energy: 0.3112573187469536
Energy: 0.3458161935146495
Energy: 0.3116263437683836
Energy: 0.3072518427435879
Energy: 0.2977973637187421
Energy: 0.31101147305334137
Energy: 0.2985959865629992
Energy: 0.29779963534410514
Energy: 0.3569249702703354
Energy: 0.30706577499527643
Energy: 0.4236757474697357
Energy: 0.35708293281989734
Energy: 0.33939539418977194
Energy: 0.2917930263785649
Energy: 0.359867049029482
Energy: 0.2901495798180413
Energy: 0.41999487512690936
Energy: 0.28131435278892986
Energy: 0.2863157977751282
Energy: 0.29117906200048577
Energy: 0.2821831684120107
Energy: 0.28611895589165554
Energy: 0.32941556790966486
Energy: 0.2855718077147402
Energy: 0.3121837902441213
Energy: 0.3303409702893034
Energy: 0.2943154116347964
Energy: 0.3281696988312604
Energy: 0.3184867252399432
Energy: 0.2811626079844878
Energy: 0.28113387036004667
Energy: 0.32901523235158886
Energy: 0.2808014838321902
Energy: 0.28070695888232894
Energy: 0.29489059506790144
Energy: 0.31125085057735935
Energy: 0.27956591927029917
Energy: 0.2900741243396771
Energy: 0.31131188827726014
Energy: 0.2771410842769121
Energy: 0.3307657832958401
Energy: 0.31134421239225096
Energy: 0.31143579474034827
Energy: 0.2770661969990767
Energy: 0.315331615753081
Energy: 0.27676451843153455
Energy: 0.33000435726211624
Energy: 0.29983883088610636
Energy: 0.3039046288011065
Energy: 0.3040616892940764
Energy: 0.29971716406899723
Energy: 0.3048987678322416
Energy: 0.3008840269303834
Energy: 0.27490825159145077
Energy: 0.300997966439751
Energy: 0.3017731082574719
Energy: 0.29789598860713096
Energy: 0.30119214790727117
Energy: 0.30121340550101766
Energy: 0.27353982711967445
Energy: 0.27312122212729745
Energy: 0.300913897787616
Energy: 0.2735184110993894
Energy: 0.27291372467741476
Energy: 0.2968933693890003
Energy: 0.29668868213060157
Energy: 0.2722294928698433
Energy: 0.2858819190372041
Energy: 0.29637195089409013
Energy: 0.2733527464344359
Energy: 0.3024497176746146
Energy: 0.29644927058854137
Energy: 0.2967918967958346
Energy: 0.2860473841858885
Energy: 0.2962191881128481
Energy: 0.2742644783189227
Energy: 0.2975212220519083
Energy: 0.2731712773914431
Energy: 0.2733531160079737
Energy: 0.2967857995234651
Energy: 0.2979010465416635
Energy: 0.2737399239084716
Energy: 0.296222433539543
Energy: 0.2892515199497393
Energy: 0.2966726613490186
Energy: 0.2970053110702496
Energy: 0.32424327225517685
Energy: 0.2963781007890552
Energy: 0.2968849307651732
Energy: 0.3022753902632355
Energy: 0.27569820044124327
Energy: 0.3023440775285571
Energy: 0.29813174386256963
Energy: 0.27629357708989777
Energy: 0.3127405762784857
Energy: 0.3011150741136366
Energy: 0.30152328940153433
Energy: 0.27163780415821553
Energy: 0.3009293976907749
Energy: 0.27654101846436446
Energy: 0.2970134650249508
Energy: 0.30131384352404744
Energy: 0.27534145955386186
Energy: 0.2759361543246958
Energy: 0.3009705543447846
Energy: 0.27351009372438934
Energy: 0.31187994424949994
Energy: 0.2757543002720155
Energy: 0.27547201626015705
Energy: 0.31122700714573814
Energy: 0.2759308996437198
Energy: 0.27492875903048125
Energy: 0.3109122763496102
Energy: 0.2785729554400293
Energy: 0.311027049257187
Energy: 0.3118101638573441
Energy: 0.2922876554940096
Energy: 0.31116903140525526
Energy: 0.4090798300670114
Energy: 0.29046935776873656
Energy: 0.2958296255717763
Energy: 0.31379942219041773
Energy: 0.29057372316694674
Energy: 0.31369639784558717
Energy: 0.3782133060919528
Energy: 0.328455184709595
Energy: 0.3288393400920069
Energy: 0.2802255813310707
Energy: 0.33268807232429426
Energy: 0.2798001381868397
Energy: 0.2964378356707864
Energy: 0.32842594348343535
Energy: 0.2893396322619693
Energy: 0.27851739580153184
Energy: 0.3287031999298438
Energy: 0.28350845559346344
Energy: 0.32705454424771063
Energy: 0.29212995842148654
Energy: 0.29135837926763886
Energy: 0.3376585444769377
Energy: 0.2922121502213332
Energy: 0.29044376873857425
Energy: 0.3580736189024679
Energy: 0.2952605167538262
Energy: 0.34151822020611217
Energy: 0.35895266517059954
Energy: 0.28324411420443396
Energy: 0.33411443841792965
Energy: 0.43589317780974396
Energy: 0.2880234184870813
Energy: 0.2964067851410238
Energy: 0.3102637792817543
Energy: 0.2886837652084284
Energy: 0.29655208691237733
Energy: 0.4356609290097918
Energy: 0.3400225350639816
Energy: 0.3134213690174317
Energy: 0.3158955673969347
Energy: 0.33991289429437066
Energy: 0.3110134094921797
Energy: 0.3023958245002896
Energy: 0.35402623766243974
Energy: 0.3262683271724934
Energy: 0.293490326772529
Energy: 0.3796221725601118
Energy: 0.3093557310131749
Energy: 0.3675921503656937
Energy: 0.3409563349542649
Energy: 0.33751518463576036
Energy: 0.3432981488146712
Energy: 0.3400142451207402
Energy: 0.3154858030127239
Energy: 0.43621853580929326
Energy: 0.3195711928610561
Energy: 0.32442719729707487
Energy: 0.34125959194672567
Energy: 0.33953430181433025
Energy: 0.36921268008681857
Energy: 0.46019003630043903
Energy: 0.30636907836789673
Energy: 0.32071376599522033
Energy: 0.3646083819779575
Energy: 0.3058933051406767
Energy: 0.3469603310080357
Energy: 0.4427986490767198
Energy: 0.3404726432795313
Energy: 0.3415613528223356
Energy: 0.3132310744716211
Energy: 0.3396856270583559
Energy: 0.30890575100851525

minimum gb energy = 0.27163780415821553 eV
minimum distance =  2.72035001036422 Angstroms
sigma value = 81


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

Energy: 0.014525603899968709
Energy: 0.034388127991848254
Energy: 0.015176279548311553
Energy: 0.016148480096178225
Energy: 0.017751478609302013
Energy: 0.015133607855824719
Energy: 0.03458385299011638
Energy: 0.01510053344432729
Energy: 0.015380597217410827
Energy: 0.03480218983442712
Energy: 0.01732859211043526
Energy: 0.015394073921433524
Energy: 0.033725026684231614
Energy: 0.01496093255438621
Energy: 0.015026963583963378
Energy: 0.03370041642671477
Energy: 0.014951469691679407
Energy: 0.03421295888041283
Energy: 0.01723374234658315
Energy: 0.015316488208209847
Energy: 0.015089099770913545
Energy: 0.018195380302888187
Energy: 0.015019404148592019
Energy: 0.03433890782274806
Energy: 0.03398489819178193
Energy: 0.033680611682846556
Energy: 0.03380981337282831
Energy: 0.03446731126819771
Energy: 0.03367063230577613
Energy: 0.033846433943523824
Energy: 0.015341943761825225
Energy: 0.015383507998587962
Energy: 0.015206417670206258
Energy: 0.016355027043452246
Energy: 0.015410364639003991
Energy: 0.01502749317885818
Energy: 0.03462552134328937
Energy: 0.015372032831475322
Energy: 0.015326003598384094
Energy: 0.03359832611553468
Energy: 0.01521552487165312
Energy: 0.01541670435217808
Energy: 0.03500220905114757
Energy: 0.014999402985569937
Energy: 0.015245175002114416
Energy: 0.033652414678170754
Energy: 0.014877345211455475
Energy: 0.034874858815279165
Energy: 0.015656771311474325
Energy: 0.015244750784966803
Energy: 0.03542764327165485
Energy: 0.016557759663392905
Energy: 0.01521446641978337
Energy: 0.035024291325005945
Energy: 0.015318988632131665
Energy: 0.03362662292871905
Energy: 0.03381649058070022
Energy: 0.01539795288179025
Energy: 0.0336197337525956
Energy: 0.03407181891019492

minimum gb energy = 0.014525603899968709 eV
minimum distance =  2.85759785349308 Angstroms
sigma value = 3


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

Energy: 0.34742914590457213
Energy: 0.3608133110571306
Energy: 0.3463802890031508
Energy: 0.2871312902406671
Energy: 0.34243780179081584
Energy: 0.3209656797773046
Energy: 0.3534487699487734
Energy: 0.34251304985628744
Energy: 0.35800090932527506
Energy: 0.3458097496424348
Energy: 0.34495065670677927
Energy: 0.36442875588705204
Energy: 0.3526462448764058
Energy: 0.32929626054364913
Energy: 0.3295130499514213
Energy: 0.34054518779202375
Energy: 0.29804787609025735
Energy: 0.36199805493286763
Energy: 0.3364980259648743
Energy: 0.3296646748032195
Energy: 0.32974975820954505
Energy: 0.33673482497889573
Energy: 0.2966398474971246
Energy: 0.3442822186874982
Energy: 0.3044078980727419
Energy: 0.34726961647427596
Energy: 0.3438937683417845
Energy: 0.30436117074861807
Energy: 0.3446849712976609
Energy: 0.3646057028795794
Energy: 0.3333202813321862
Energy: 0.3478830723430705
Energy: 0.33629563950103825
Energy: 0.28359951043655984
Energy: 0.34862441393460875
Energy: 0.31908934609195
Energy: 0.33554651173608074
Energy: 0.31426585072572594
Energy: 0.34038226766678564
Energy: 0.3354965590949478
Energy: 0.31531686645182383
Energy: 0.34295272869104704
Energy: 0.3329120399643467
Energy: 0.28833128776336703
Energy: 0.32624365604546385
Energy: 0.3328115609759207
Energy: 0.272706261164247
Energy: 0.31423745022917654
Energy: 0.3532735620384405
Energy: 0.3273130828432323
Energy: 0.33784688800187923
Energy: 0.3416911867691429
Energy: 0.28557820430730413
Energy: 0.3391810021799941
Energy: 0.2919314504853054
Energy: 0.31070875580587504
Energy: 0.3103044647217905
Energy: 0.31866058337552133
Energy: 0.31441807054178883
Energy: 0.3200212656490083
Energy: 0.2727179947952975
Energy: 0.3304948659131664
Energy: 0.3315571470389436
Energy: 0.2757305795085909
Energy: 0.27542745351262343
Energy: 0.3156127735544065
Energy: 0.2951663937144778
Energy: 0.33598393555182987
Energy: 0.33687041412918944
Energy: 0.2938918824950259
Energy: 0.28620363559742007
Energy: 0.28958855096312724
Energy: 0.29090702215000896
Energy: 0.2667393324840879
Energy: 0.3197517099508561
Energy: 0.29097915286957443
Energy: 0.2691561953702731
Energy: 0.29239308353685367
Energy: 0.3308642730192297
Energy: 0.3008531425672723
Energy: 0.32248592559790923
Energy: 0.29236331541583455
Energy: 0.2762857208728249
Energy: 0.3220619141074342
Energy: 0.33173227159415003
Energy: 0.27570149377239633
Energy: 0.2753483894906068
Energy: 0.33132123534093333
Energy: 0.2796835236723369
Energy: 0.2753460317784295
Energy: 0.27038223415023177
Energy: 0.3143736806561758
Energy: 0.31370945568122144
Energy: 0.27134057008863094
Energy: 0.3284203410095878
Energy: 0.31382961102341467
Energy: 0.27318280655703187
Energy: 0.31419395130789696
Energy: 0.3118190640776656
Energy: 0.2716616288661406
Energy: 0.27818423977131995
Energy: 0.2674814710871813
Energy: 0.2681651009859104
Energy: 0.31137434480805715
Energy: 0.3107313947080642
Energy: 0.26825506450722786
Energy: 0.2716054000339404
Energy: 0.30948478395108064
Energy: 0.3366587730882368
Energy: 0.29217312368493
Energy: 0.3089400602541297
Energy: 0.2713489234477128
Energy: 0.26813254980577544
Energy: 0.3092730742017529
Energy: 0.3298525023629269
Energy: 0.2684854825051817
Energy: 0.26758941412533976
Energy: 0.32980590902962464
Energy: 0.27237437830081795
Energy: 0.26770794842695755
Energy: 0.32908755658889643
Energy: 0.3138822932176459
Energy: 0.31393834033062956
Energy: 0.32837606897295596
Energy: 0.31331099372464916
Energy: 0.3128480307616359
Energy: 0.2788183518026312
Energy: 0.31113393265975614
Energy: 0.29631517533829005
Energy: 0.2787123231661867
Energy: 0.31161254019367046
Energy: 0.275399280247462
Energy: 0.27552751985591983
Energy: 0.3219507721856176
Energy: 0.32277347285955355
Energy: 0.2755322956822348
Energy: 0.2938784747696181
Energy: 0.3196221293724633
Energy: 0.27422392027862175
Energy: 0.2907709898126988
Energy: 0.2907779550841446
Energy: 0.26957183566888543
Energy: 0.290215454663127
Energy: 0.3129257498538097
Energy: 0.30658771309535626
Energy: 0.2901406395609531
Energy: 0.28977781056751223
Energy: 0.27748783289841444
Energy: 0.2949978013377341
Energy: 0.2899746892111089
Energy: 0.2758471051031837
Energy: 0.2808704996216313
Energy: 0.32274292476198607
Energy: 0.2758912040379943
Energy: 0.29286533159074035
Energy: 0.33164988945930723
Energy: 0.31320936865497534
Energy: 0.32245809904178574
Energy: 0.32546455278208375
Energy: 0.3132797515915817
Energy: 0.2829586234780898
Energy: 0.3203725541108414
Energy: 0.296700859132759
Energy: 0.30361131235449684
Energy: 0.3053154933989709
Energy: 0.2966496278754375
Energy: 0.3045874690081081
Energy: 0.3069421760295701
Energy: 0.336960788773552
Energy: 0.3334278033559236
Energy: 0.32900258590557097
Energy: 0.2788100907457296
Energy: 0.3336352507581549
Energy: 0.3179489657383086
Energy: 0.31607241494955185
Energy: 0.34467632970198503
Energy: 0.3430878284454051
Energy: 0.3160987995322662
Energy: 0.33802588714294496
Energy: 0.3378859047576957
Energy: 0.3377457445505258
Energy: 0.2930302528781793
Energy: 0.3289781058093369
Energy: 0.33736945726021994
Energy: 0.2747940676093672
Energy: 0.3292341311976878
Energy: 0.3532764854409648
Energy: 0.3309093233180655
Energy: 0.3516872825620547
Energy: 0.3619561872945978
Energy: 0.2916681652045679
Energy: 0.3639800109527096
Energy: 0.31107024783965054
Energy: 0.33302675832813505
Energy: 0.33656141596951095
Energy: 0.311009590304373
Energy: 0.33724797749857366
Energy: 0.32686993782555185

minimum gb energy = 0.2667393324840879 eV
minimum distance =  2.66225480669575 Angstroms
sigma value = 67


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

Energy: 0.42256052015215034
Energy: 0.4214988793517898
Energy: 0.4195991705389015
Energy: 0.3557660978571101
Energy: 0.42473727276794637
Energy: 0.4188929318102043
Energy: 0.4184186919201263
Energy: 0.42739550208532007
Energy: 0.4254740006863274
Energy: 0.4196043750062053
Energy: 0.4261917502147851
Energy: 0.4201416769294409
Energy: 0.4298109046177021
Energy: 0.36890337642533966
Energy: 0.413844697264041
Energy: 0.41859269705033864
Energy: 0.3672226466446815
Energy: 0.41277380921496815
Energy: 0.4023173058287632
Energy: 0.40088253905032306
Energy: 0.40777192370487164
Energy: 0.4028348893789966
Energy: 0.40291828125836443
Energy: 0.417053867598915
Energy: 0.39453168908904895
Energy: 0.4342234633429778
Energy: 0.4377779609812683
Energy: 0.39476021913443626
Energy: 0.42748189311159995
Energy: 0.41806933618658826
Energy: 0.40520088652614056
Energy: 0.3891172098428311
Energy: 0.4055039552554976
Energy: 0.37040451830227134
Energy: 0.3893470051770374
Energy: 0.4043717021772455
Energy: 0.40539509614317953
Energy: 0.3715056115890062
Energy: 0.4126431185228319
Energy: 0.40613550227032846
Energy: 0.37162699191450177
Energy: 0.3725077510794687
Energy: 0.40238311181616787
Energy: 0.3537607654103619
Energy: 0.40130848501438254
Energy: 0.4016690925592818
Energy: 0.3521290085422626
Energy: 0.40089417721039494
Energy: 0.4171869156290503
Energy: 0.37229748072345775
Energy: 0.37171991318789116
Energy: 0.3724664320047086
Energy: 0.36891636897345803
Energy: 0.41894969717694713
Energy: 0.38799327300725445
Energy: 0.37352896705170124
Energy: 0.3748094087761294
Energy: 0.3881167181292459
Energy: 0.37106318751402145
Energy: 0.36910353019925674
Energy: 0.3514898011731088
Energy: 0.4019977652027189
Energy: 0.40258837522808716
Energy: 0.35389063342740573
Energy: 0.4116997181868227
Energy: 0.40336793804822924
Energy: 0.35621979348519645
Energy: 0.37414804519684103
Energy: 0.3999396428589538
Energy: 0.35691922567804457
Energy: 0.37125841520194136
Energy: 0.35255958210653954
Energy: 0.35859863102854406
Energy: 0.35635305064296613
Energy: 0.3958650200519978
Energy: 0.35910141958482794
Energy: 0.3537805738583007
Energy: 0.3525216132397765
Energy: 0.41654766215209005
Energy: 0.3791265769377274
Energy: 0.396209441380127
Energy: 0.3529427426809315
Energy: 0.38519139608048186
Energy: 0.39528591637070126
Energy: 0.40960275567770377
Energy: 0.35579338487938456
Energy: 0.357536815988862
Energy: 0.4104070858018295
Energy: 0.3533146541494519
Energy: 0.35305738802514763
Energy: 0.4089308409100233
Energy: 0.4046997976186088
Energy: 0.40224072773278247
Energy: 0.3708292957572075
Energy: 0.38554599945052853
Energy: 0.39997337673790406
Energy: 0.3748839707287973
Energy: 0.35044647985426014
Energy: 0.39398921816418797
Energy: 0.37509799095126023
Energy: 0.348332466770399
Energy: 0.37035554310858704
Energy: 0.37575496199918235
Energy: 0.37327473597841276
Energy: 0.4210086290088387
Energy: 0.37638775130549645
Energy: 0.37188648146931563
Energy: 0.36969000883451025
Energy: 0.40509192513495595
Energy: 0.35824090316626295
Energy: 0.4083733373129289
Energy: 0.3590104551218363
Energy: 0.35795563316970297
Energy: 0.40966566454875847
Energy: 0.37312539705450126
Energy: 0.4071180281417266
Energy: 0.4111630302966638
Energy: 0.3740232816221537
Energy: 0.4018137010357403
Energy: 0.4043638957443659
Energy: 0.40711638047626036
Energy: 0.3852674408174474
Energy: 0.4217753849125048
Energy: 0.40666374007303147
Energy: 0.3978830110314041
Energy: 0.42197143831001427
Energy: 0.4291405776918363
Energy: 0.3577658825872819
Energy: 0.421230333047568
Energy: 0.41904181943786784
Energy: 0.3556741532830049
Energy: 0.42129231975947634
Energy: 0.4179278170562114
Energy: 0.4053666127294908
Energy: 0.410351046787872
Energy: 0.41790880332791325
Energy: 0.4030360922552263
Energy: 0.41300250520154547

minimum gb energy = 0.348332466770399 eV
minimum distance =  2.65543802070268 Angstroms
sigma value = 33


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

Energy: 0.7259447907153134
Energy: 0.4937224531702916
Energy: 0.49501710646983604
Energy: 0.42279527397396155
Energy: 0.4553629609448236
Energy: 0.47552050633738013
Energy: 0.4620543294612545
Energy: 0.4433189936322023
Energy: 0.44719052938850135
Energy: 0.44144383377268287
Energy: 0.4877744794037413
Energy: 0.4480879637796944
Energy: 0.49783218239617033
Energy: 0.44463990022526806
Energy: 0.446419204952105
Energy: 0.4483879387336393
Energy: 0.43965158058579945
Energy: 0.47199105918921136
Energy: 0.44253260324102217
Energy: 0.44470719052770324
Energy: 0.4554544880755672
Energy: 0.4430677385431204
Energy: 0.4491642566950458
Energy: 0.47155044985876166
Energy: 0.4417788320557016
Energy: 0.40972907350349835
Energy: 0.4896002455518396
Energy: 0.44153364807504697
Energy: 0.4461229415081017
Energy: 0.4470862104965865
Energy: 0.40540913019237945
Energy: 0.40796711013555603
Energy: 0.40911762181222544
Energy: 0.40881409282770337
Energy: 0.40776059566023176
Energy: 0.40561040975784846
Energy: 0.44137208297071745
Energy: 0.4482316086740598
Energy: 0.45020106643470137
Energy: 0.44195282171525196
Energy: 0.4089167235018889
Energy: 0.44682734639625404
Energy: 0.4431337135344548
Energy: 0.41321721476901374
Energy: 0.4082838945879249
Energy: 0.44309993320125085
Energy: 0.4103342560218128
Energy: 0.4469323527144947
Energy: 0.4371991654049609
Energy: 0.41057751416734195
Energy: 0.4431133356811504
Energy: 0.41274910425697453
Energy: 0.40850166893177775
Energy: 0.4612228776876816
Energy: 0.4369244228555958
Energy: 0.41194536340039456
Energy: 0.4083597201178265
Energy: 0.4358449711646652
Energy: 0.40918771460430337
Energy: 0.40789380246351525
Energy: 0.4350463107477505
Energy: 0.4094228880861866
Energy: 0.4089059063554463
Energy: 0.40946271029814213
Energy: 0.4369360016927505
Energy: 0.4078611038567772
Energy: 0.4144255765132235
Energy: 0.407852251033453
Energy: 0.4081027384457366
Energy: 0.40785097917431395
Energy: 0.41949812888812354
Energy: 0.40827303008410093
Energy: 0.41273296922739483
Energy: 0.4485250779555298
Energy: 0.427920727694249
Energy: 0.41362005388639245
Energy: 0.4123692924373088
Energy: 0.4080167044893068
Energy: 0.3966350170532816
Energy: 0.4117239857426336
Energy: 0.4488498679424038
Energy: 0.39873645365719496
Energy: 0.4367906343836962
Energy: 0.3964131037201983
Energy: 0.39830124400404
Energy: 0.44853242270950294
Energy: 0.44971208907212423
Energy: 0.39776943574241475
Energy: 0.4439299249395833
Energy: 0.430682819526864
Energy: 0.41368194882317455
Energy: 0.4162840537205148
Energy: 0.45094113672833247
Energy: 0.4131819872949953
Energy: 0.4160720176387445
Energy: 0.44975420403024646
Energy: 0.4950383401881818
Energy: 0.4215166071594347
Energy: 0.41579563156035765
Energy: 0.44954434534119114
Energy: 0.4185982893226857
Energy: 0.46324857193203706
Energy: 0.5193321406829532
Energy: 0.44622491666982694
Energy: 0.44929944924612836
Energy: 0.4893704445407914
Energy: 0.4443566633818962
Energy: 0.47901581933655096
Energy: 0.464576796295413
Energy: 0.44660643804444494
Energy: 0.4175386510411712
Energy: 0.41803695148155956
Energy: 0.44686488409865305
Energy: 0.4491645684701634
Energy: 0.46182294152980885
Energy: 0.4453632925351157
Energy: 0.41252938270355494
Energy: 0.46277683174061185
Energy: 0.4462811902627161
Energy: 0.44720624998243286
Energy: 0.4960152140572094
Energy: 0.4080639795638796
Energy: 0.4261192947753548
Energy: 0.4470330019656467
Energy: 0.4500932294937644
Energy: 0.44311213809887207
Energy: 0.4422869844144661
Energy: 0.4438825164230193
Energy: 0.4463667077584112
Energy: 0.44257825764000347
Energy: 0.4429595908754991
Energy: 0.47190616299705523
Energy: 0.4418738929368109
Energy: 0.41239280623941976
Energy: 0.4473776169452144
Energy: 0.44197894244436686
Energy: 0.4457473661408366
Energy: 0.448165836367034
Energy: 0.40615712163871687
Energy: 0.40835635160154654
Energy: 0.40826194526310455
Energy: 0.41083896791554125
Energy: 0.40781672663791185
Energy: 0.4458965692579979
Energy: 0.44123967481113463
Energy: 0.447960860051643
Energy: 0.44955886605149975
Energy: 0.4417290461101453
Energy: 0.4466856624701029
Energy: 0.4466148858595096
Energy: 0.4454749754034176
Energy: 0.4126008235107946
Energy: 0.40836022367224206
Energy: 0.4458795214174987
Energy: 0.40973615760803855
Energy: 0.44653923390191064
Energy: 0.4372699399709438
Energy: 0.4080786958333754
Energy: 0.4084994603490219
Energy: 0.41312334042173343
Energy: 0.4188241624453957
Energy: 0.46185145418706625
Energy: 0.43740562289325857
Energy: 0.4122612275666867
Energy: 0.4086240605888679
Energy: 0.41297146223163395
Energy: 0.4093246977834395
Energy: 0.40775223102631064
Energy: 0.44294565178900114
Energy: 0.4371387527932103
Energy: 0.4106098708745796
Energy: 0.4105467091351091
Energy: 0.40884939429324285
Energy: 0.4077896605506187
Energy: 0.40745727751539074
Energy: 0.40781486329753036
Energy: 0.4079257804724001
Energy: 0.4075164200473004
Energy: 0.4165466185573921
Energy: 0.4080347543787688
Energy: 0.41073287331044617
Energy: 0.44846036915519266
Energy: 0.4080531154079385
Energy: 0.4114909812210578
Energy: 0.4125992881726116
Energy: 0.40792364027648903
Energy: 0.39788542517707265
Energy: 0.44851246348855284
Energy: 0.4642117807089403
Energy: 0.39814640004148644
Energy: 0.4372375630947392
Energy: 0.3963768909420039
Energy: 0.39816413841174464
Energy: 0.44901122296266094
Energy: 0.44972163294985135
Energy: 0.3988103706015111
Energy: 0.44459023283509347
Energy: 0.4283837415218727
Energy: 0.4134649948705344
Energy: 0.4534668510788109
Energy: 0.44667714988420637
Energy: 0.4128366990013054
Energy: 0.41579936505318515
Energy: 0.45076144566525833
Energy: 0.5198657385173637
Energy: 0.4164736243950641
Energy: 0.4158280252190459
Energy: 0.4477633285117131
Energy: 0.3983632084385063
Energy: 0.4520797497981575
Energy: 0.5170490426455852
Energy: 0.44240045185887733
Energy: 0.41265420167440675
Energy: 0.44444818796030305
Energy: 0.44570457907782607
Energy: 0.47776577363515915
Energy: 0.443580880662317
Energy: 0.4474310888184236
Energy: 0.4182722891777353
Energy: 0.4168251815550465
Energy: 0.44819284413633015
Energy: 0.41332642539523473

minimum gb energy = 0.3963768909420039 eV
minimum distance =  2.65471826204876 Angstroms
sigma value = 41


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

Energy: 0.6815444920608151
Energy: 0.5371558233475582
Energy: 0.5377296686004522
Energy: 0.4744214563812267
Energy: 0.5406622581261448
Energy: 0.4763930454416932
Energy: 0.5160833071655845
Energy: 0.5031324643378298
Energy: 0.4842344771724315
Energy: 0.5005257645409464
Energy: 0.5019346947085112
Energy: 0.4836336798481186
Energy: 0.5760063443220896
Energy: 0.4735840264381559
Energy: 0.47207020529949134
Energy: 0.5002022566136174
Energy: 0.4962000956246674
Energy: 0.4717144361788204
Energy: 0.5036763702781503
Energy: 0.473726522253769
Energy: 0.47222998210046196
Energy: 0.5038331068615483
Energy: 0.4751890010687473
Energy: 0.4919398238246706
Energy: 0.49212704341026603
Energy: 0.48508674093422727
Energy: 0.47409291394372655
Energy: 0.49198346356624684
Energy: 0.5033159233961018
Energy: 0.4736897989494322
Energy: 0.5106071811559124
Energy: 0.509833688345893
Energy: 0.4737045584140069
Energy: 0.47463091493337284
Energy: 0.5217674582738584
Energy: 0.4735824356871088
Energy: 0.4915402754344572
Energy: 0.4845730484407541
Energy: 0.4747114060530856
Energy: 0.491684994900521
Energy: 0.5052990440921985
Energy: 0.4750577820283602
Energy: 0.4933354039882581
Energy: 0.47433524068020483
Energy: 0.4738433877157884
Energy: 0.49416031492012025
Energy: 0.4753608184100483
Energy: 0.47620883254206975
Energy: 0.5381670953949288
Energy: 0.4743228969231261
Energy: 0.4737092485322999
Energy: 0.4648301146432027
Energy: 0.4846285481761426
Energy: 0.47345581601828945
Energy: 0.5096217677073326
Energy: 0.49546694027403215
Energy: 0.4748221872028845
Energy: 0.4763568336559182
Energy: 0.4919140990072603
Energy: 0.4729388491512777
Energy: 0.5044060832635128
Energy: 0.4824243705816483
Energy: 0.4752693178911535
Energy: 0.47579501734268803
Energy: 0.46431595067666004
Energy: 0.475207168219394
Energy: 0.5650051255461174
Energy: 0.4639775020302318
Energy: 0.4638531494333446
Energy: 0.5653082952260157
Energy: 0.4690481033406545
Energy: 0.5000257222379781
Energy: 0.57866098501499
Energy: 0.49639004024920913
Energy: 0.4819878171421414
Energy: 0.5006776093469472
Energy: 0.4919729968410318
Energy: 0.4828455635064983
Energy: 0.4663496336204118
Energy: 0.5002974602707307
Energy: 0.4698446924305199
Energy: 0.46612367473607524
Energy: 0.4998480174197864
Energy: 0.46433963527115213

minimum gb energy = 0.4638531494333446 eV
minimum distance =  2.66591886879161 Angstroms
sigma value = 11


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

Energy: 0.5404324762265289
Energy: 0.644320217480691
Energy: 0.6026920088962036
Energy: 0.5709074122159333
Energy: 0.5683545427822918
Energy: 0.5625387170935201
Energy: 0.6256839341830325
Energy: 0.5468383124181037
Energy: 0.553019087442847
Energy: 0.5701158507770647
Energy: 0.5475844458816571
Energy: 0.5688950910143733
Energy: 0.6148120129164145
Energy: 0.5388675370524091
Energy: 0.5502510655128354
Energy: 0.5619467200892581
Energy: 0.5388571021744717
Energy: 0.5574037118029322
Energy: 0.5710911301955945
Energy: 0.5388240019706022
Energy: 0.5394117983005667
Energy: 0.5519868845286204
Energy: 0.5407194624417884
Energy: 0.5653973593560231
Energy: 0.5608219169791554
Energy: 0.5475573997118173
Energy: 0.5567736675345859
Energy: 0.5650442787005469
Energy: 0.5469600054196041
Energy: 0.5672990449241644
Energy: 0.5653075457296931
Energy: 0.5552485188690831
Energy: 0.558429684738568
Energy: 0.5486799606104406
Energy: 0.5627486284510307
Energy: 0.5596931778290261
Energy: 0.5607917394556389
Energy: 0.5572606738646968
Energy: 0.5574875431410491
Energy: 0.5594608218511998
Energy: 0.553673598042946
Energy: 0.561687439219544
Energy: 0.5594660339765302
Energy: 0.5556652613019298
Energy: 0.5679688814139922
Energy: 0.5471012554228192
Energy: 0.5653417935592877
Energy: 0.5673339599041597
Energy: 0.54836652075484
Energy: 0.5655111234925054
Energy: 0.5656099563635585
Energy: 0.5385157320786307
Energy: 0.5611916413979297
Energy: 0.5413402935728826
Energy: 0.5472020517581658
Energy: 0.5652357373186709
Energy: 0.5659259673703386
Energy: 0.5510132123832503
Energy: 0.5615188806688188
Energy: 0.5414837453521238
Energy: 0.5597579630343954
Energy: 0.552037079650206
Energy: 0.5681311671934789
Energy: 0.5471290684603928
Energy: 0.5577557891103754
Energy: 0.5575168958251537
Energy: 0.549926265426286
Energy: 0.5624584345487385
Energy: 0.5630242838223062
Energy: 0.550286951389288
Energy: 0.5493396313508236
Energy: 0.5626504373879343
Energy: 0.5467503831746592
Energy: 0.5648990535041175
Energy: 0.5640219156955191
Energy: 0.5469183656891554
Energy: 0.5603548523835854
Energy: 0.5605959752608065
Energy: 0.5565961571072308
Energy: 0.5626339698093483
Energy: 0.5652587102740007
Energy: 0.5398158292674852
Energy: 0.5818352466080267
Energy: 0.5576864090355522
Energy: 0.5390564561234028
Energy: 0.564483232622228
Energy: 0.5637733431770007
Energy: 0.5395415226747534
Energy: 0.5612085636950509
Energy: 0.5627874719590736
Energy: 0.5394653555997061
Energy: 0.5647682891594231
Energy: 0.5639327419390109
Energy: 0.540433083534056
Energy: 0.56350235744484
Energy: 0.5394836180014372
Energy: 0.5388932391883258
Energy: 0.5574494170655293
Energy: 0.564767229893587
Energy: 0.5390832199432639
Energy: 0.5579998696691556
Energy: 0.5580123761752103
Energy: 0.5857789309416193
Energy: 0.5863150935493251
Energy: 0.5810669622143428
Energy: 0.5662661065258198
Energy: 0.5853134256604219
Energy: 0.5628325995703634
Energy: 0.5505609177784191
Energy: 0.5571711010157583
Energy: 0.5647860050464251
Energy: 0.5507221818041902
Energy: 0.5545893217425244
Energy: 0.563987680346975
Energy: 0.5720334490104712
Energy: 0.5400186873859575
Energy: 0.5401559389361864
Energy: 0.5598273036098754
Energy: 0.5401038868259027
Energy: 0.5656662970477727
Energy: 0.6013605575003068
Energy: 0.5396779825973397
Energy: 0.5593690298101366
Energy: 0.5591341624083664
Energy: 0.5486915649283183
Energy: 0.5655204467406729
Energy: 0.5537714186069547
Energy: 0.5619262350522111
Energy: 0.5645379235967308
Energy: 0.5701135106948524
Energy: 0.5584159460959504
Energy: 0.5639544269269592
Energy: 0.5441965803719093
Energy: 0.5573808306229724
Energy: 0.5561970355814795
Energy: 0.5383418992868683
Energy: 0.5572917233317738
Energy: 0.5635212008762207
Energy: 0.6025136723342586
Energy: 0.5632419190653265
Energy: 0.5565545936955042
Energy: 0.5534321983713902
Energy: 0.5580645429641501
Energy: 0.5646953394096345
Energy: 0.6040506485909839
Energy: 0.5617359720726061
Energy: 0.5575116249885499
Energy: 0.5853196601902747
Energy: 0.5608193943589272
Energy: 0.5595519133228588
Energy: 0.5913710613088696
Energy: 0.5548210182387846
Energy: 0.5396469995686816
Energy: 0.5546686702699118
Energy: 0.5399164212397995
Energy: 0.5637613306454969
Energy: 0.6042787624592686
Energy: 0.5391529199464291
Energy: 0.5392082303790127
Energy: 0.56052163483765
Energy: 0.5410457231040574
Energy: 0.5633080721462492
Energy: 0.5905363078554638
Energy: 0.5399091854923822
Energy: 0.561823351313736
Energy: 0.5606459188496857
Energy: 0.5501226184791427
Energy: 0.5634171913651163
Energy: 0.5899937699879745
Energy: 0.5546395620556613
Energy: 0.5531705606438013
Energy: 0.5732156723428492
Energy: 0.5655708789891427
Energy: 0.5581024667725499
Energy: 0.6518189157871024
Energy: 0.547019567721373
Energy: 0.5599804992993312
Energy: 0.557456623535717
Energy: 0.5467396284593818
Energy: 0.5633708361124486
Energy: 0.5411970371021309
Energy: 0.552619002965266
Energy: 0.563036274888046
Energy: 0.5401714627189809
Energy: 0.551152731329871
Energy: 0.5667057310180036

minimum gb energy = 0.5383418992868683 eV
minimum distance =  2.65793816580794 Angstroms
sigma value = 57


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

Energy: 0.7813443384846106
Energy: 0.5254686247281017
Energy: 0.5249979268652656
Energy: 0.5652845355902527
Energy: 0.8435988586667529
Energy: 0.525206550604915
Energy: 0.5252740095273478
Energy: 0.5397656274684305
Energy: 0.5374689731005952
Energy: 0.5391421130149309
Energy: 0.5411529767915207
Energy: 0.5369850076578635
Energy: 0.5573075281206195
Energy: 0.5355798502521789
Energy: 0.5359901593977094
Energy: 0.5998264061339013
Energy: 0.5494901147047551
Energy: 0.5384423868965458
Energy: 0.5498025704133157
Energy: 0.5389996810238424
Energy: 0.5370894226417224
Energy: 0.5496195607745932
Energy: 0.548206030795417
Energy: 0.5372094551760516
Energy: 0.5490126858966362
Energy: 0.5392432518530993
Energy: 0.5380274617100722
Energy: 0.5388573775442796
Energy: 0.5403651285009243
Energy: 0.5368670500755109
Energy: 0.5502188179583588
Energy: 0.5582705602100505
Energy: 0.537653078691195
Energy: 0.5395507648706335
Energy: 0.538892132103927
Energy: 0.5376669204947186
Energy: 0.5525138247418749
Energy: 0.5675065778358304
Energy: 0.5252005525694243
Energy: 0.5535861510341188
Energy: 0.5688813169329565
Energy: 0.5571885307391465
Energy: 0.6038065346167585
Energy: 0.5395938316596027
Energy: 0.5374948984692951
Energy: 0.5410064640759179
Energy: 0.5382463245527744
Energy: 0.5371171414127708
Energy: 0.5245477857174486
Energy: 0.5397001842333614
Energy: 0.5258608804255174
Energy: 0.5278313142044194
Energy: 0.549755024129074
Energy: 0.5255208947582375
Energy: 0.5528615566198322
Energy: 0.5394533105198013
Energy: 0.5258928789323216
Energy: 0.5273998436112577
Energy: 0.5489560089906674
Energy: 0.5255097932329453
Energy: 0.6035425735672434
Energy: 0.549181119457853
Energy: 0.5383409344847239
Energy: 0.5387635560066619
Energy: 0.5378546614722692
Energy: 0.5373022250041893
Energy: 0.5506344631431969
Energy: 0.535179876439777
Energy: 0.5492159280690256
Energy: 0.5501009687305733
Energy: 0.5395577010045475
Energy: 0.5384667092288927
Energy: 0.5531814025981564
Energy: 0.5381090535901364
Energy: 0.538165439125386
Energy: 0.5400823809869291
Energy: 0.5392075926660375
Energy: 0.536756316360364
Energy: 0.5500056568534698
Energy: 0.6005809199348366
Energy: 0.5496546739796088
Energy: 0.5389934081341727
Energy: 0.552800986324422
Energy: 0.5381434187380435
Energy: 0.5608885499493739
Energy: 0.5252069360056735
Energy: 0.5372851027415615
Energy: 0.5589593348696648
Energy: 0.5665424893088833
Energy: 0.5369340280865347
Energy: 0.5981633303534498
Energy: 0.525139213527445
Energy: 0.5247402387984258
Energy: 0.5498166807316526
Energy: 0.5671608064462059
Energy: 0.5378348124987998
Energy: 0.5253306040689416
Energy: 0.5396834098726879
Energy: 0.5378461652387846
Energy: 0.5246371835571972
Energy: 0.541976261957757
Energy: 0.5376345046682086

minimum gb energy = 0.5245477857174486 eV
minimum distance =  2.67141876966479 Angstroms
sigma value = 9


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

Energy: 0.9701558759962842
Energy: 0.6256169821440193
Energy: 0.6473133155351167
Energy: 0.6063705252245346
Energy: 0.6029113470452255
Energy: 0.6466126228709412
Energy: 0.65210507783356
Energy: 0.5982156706907955
Energy: 0.585390800342462
Energy: 0.5831087859471094
Energy: 0.5980431050652127
Energy: 0.5876782582482837
Energy: 0.6068699981336384
Energy: 0.5901626676485184
Energy: 0.5925530646691256
Energy: 0.607321281359467
Energy: 0.5830061674215844
Energy: 0.5906640778716511
Energy: 0.591765341422416
Energy: 0.5935283452704656
Energy: 0.5883990423478705
Energy: 0.5930187326303086
Energy: 0.5834101528524238
Energy: 0.5927811027408871
Energy: 0.5830718415389077
Energy: 0.5725017932621416
Energy: 0.5734488864262828
Energy: 0.5697030650880475
Energy: 0.5799114364814678
Energy: 0.5700892003986877
Energy: 0.5842996103801822
Energy: 0.5835253199530025
Energy: 0.581776700511567
Energy: 0.5899737890902752
Energy: 0.5853214812266528
Energy: 0.5815562045385726
Energy: 0.5890786707955091
Energy: 0.5816897877674441
Energy: 0.5972987533829814
Energy: 0.5895282902630643
Energy: 0.5843210170680554
Energy: 0.6116794531523438
Energy: 0.5994510314583203
Energy: 0.5838666640267174
Energy: 0.5843847224934539
Energy: 0.5924759481273553
Energy: 0.5820086053945256
Energy: 0.5848747304827352
Energy: 0.6115534629225129
Energy: 0.5732689345182356
Energy: 0.5752157163459417
Energy: 0.6025863649881107
Energy: 0.5810179419532377
Energy: 0.5905628519700463
Energy: 0.5989769925883033
Energy: 0.5736410604596816
Energy: 0.5753342712978745
Energy: 0.6023661234333689
Energy: 0.5806422330829397
Energy: 0.5698258131930168
Energy: 0.6001382868865502
Energy: 0.5798625231932871
Energy: 0.587732896040362
Energy: 0.5827434754201068
Energy: 0.5817838577060367
Energy: 0.5773925013332541
Energy: 0.6053424605833733
Energy: 0.588565396222747
Energy: 0.5890620629575415
Energy: 0.5959897770450086
Energy: 0.5841880676837552
Energy: 0.5870691082592537
Energy: 0.6158495106923993
Energy: 0.5840340466067094
Energy: 0.5854912748228791
Energy: 0.585339805982031
Energy: 0.5832462974606781
Energy: 0.5805434465224322
Energy: 0.595501303375404
Energy: 0.5888160349691852
Energy: 0.5912646983038651
Energy: 0.5936192709819125
Energy: 0.5861850870443762
Energy: 0.5925320011283834
Energy: 0.599733983562512
Energy: 0.5791451157030311
Energy: 0.5894657171976622
Energy: 0.5907773721910775
Energy: 0.57918895087788
Energy: 0.5721714860988758
Energy: 0.5900867318787009
Energy: 0.5936848515847907
Energy: 0.5809815670424979
Energy: 0.5906282181148307
Energy: 0.5993194769112105
Energy: 0.5803671088095477
Energy: 0.6025735733390912
Energy: 0.5897914292200095
Energy: 0.5928745658957049
Energy: 0.6029761233695683
Energy: 0.5924712113441354
Energy: 0.5918141715393285
Energy: 0.6726454515243014
Energy: 0.5846566613432892
Energy: 0.5731700940114492
Energy: 0.574671677488888
Energy: 0.5933753890239397
Energy: 0.5877349827886571
Energy: 0.5974253827284218
Energy: 0.5944751873234692
Energy: 0.5898345863199318
Energy: 0.5965632622571573
Energy: 0.5830007078586296
Energy: 0.5873015662793832
Energy: 0.5909082429378707
Energy: 0.5945338948000787
Energy: 0.5909473381828685
Energy: 0.5699328842203665
Energy: 0.5953495231023097
Energy: 0.5871541083190044
Energy: 0.5931739063663579
Energy: 0.5980524289586711
Energy: 0.5850958452148273
Energy: 0.581418469698254
Energy: 0.596871888155285
Energy: 0.5893325617521218

minimum gb energy = 0.5697030650880475 eV
minimum distance =  2.62904603347094 Angstroms
sigma value = 27


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

Energy: 0.680505655544316
Energy: 0.56849774666371
Energy: 0.5637586907886938
Energy: 0.564297785753909
Energy: 0.5925576566689488
Energy: 0.566411405621202
Energy: 0.5721841297098814
Energy: 0.5760542466693807
Energy: 0.5747903204451271
Energy: 0.5776001702934443
Energy: 0.5776070685390082
Energy: 0.5758269654498912
Energy: 0.5975849343223385
Energy: 0.5771725428326979
Energy: 0.5814433643512628
Energy: 0.5879757708305963
Energy: 0.5798793669536924
Energy: 0.5742049773031621
Energy: 0.5893933923546136
Energy: 0.5769182302935931
Energy: 0.5756832793399502
Energy: 0.5901560832053926
Energy: 0.5765247025954583
Energy: 0.5765839336270963
Energy: 0.5885422287232672
Energy: 0.574129774163513
Energy: 0.5704840386792264
Energy: 0.566481169837012
Energy: 0.5873482537701376
Energy: 0.5725530736826319
Energy: 0.5995726631304178
Energy: 0.5769356048431165
Energy: 0.5768195196195832
Energy: 0.5842930803473776
Energy: 0.5776792867962912
Energy: 0.5777388082569515
Energy: 0.583196513870628
Energy: 0.5466953290895685
Energy: 0.5431208913543394
Energy: 0.5686013515688569
Energy: 0.540474102975759
Energy: 0.5423894249705272
Energy: 0.5829407252017952
Energy: 0.5596456442534776
Energy: 0.5836791821197423
Energy: 0.579564888677809
Energy: 0.5613417834386777
Energy: 0.583222506168804
Energy: 0.6760867247212151
Energy: 0.5752669886636526
Energy: 0.57397623817508
Energy: 0.5743184859650081
Energy: 0.5756415179754326
Energy: 0.5737765360422583
Energy: 0.5825090488639991
Energy: 0.5713574736013595
Energy: 0.5716166504356383
Energy: 0.5715230719739579
Energy: 0.5717688410692379
Energy: 0.5693744898305814
Energy: 0.5822918912306738
Energy: 0.5713557436190015
Energy: 0.5706507131978146
Energy: 0.5825951574824741
Energy: 0.5589553761272591
Energy: 0.5698637399409671
Energy: 0.5874343380843939
Energy: 0.5826192447261495
Energy: 0.5801498935424363
Energy: 0.5808153487090643
Energy: 0.5729781088545166
Energy: 0.579086672891884
Energy: 0.5676179236828082
Energy: 0.5836769388965969
Energy: 0.5448843997910902
Energy: 0.5667573340129263
Energy: 0.5897731576053948
Energy: 0.544724816459184
Energy: 0.5654880545856722
Energy: 0.5956366996324075
Energy: 0.5824357794295525
Energy: 0.5423296484063909
Energy: 0.5899915933091273
Energy: 0.5411563694488816
Energy: 0.5919361179900029
Energy: 0.5803134598607949
Energy: 0.5784916166024877
Energy: 0.5867965041102282
Energy: 0.5712952849238208
Energy: 0.5807135992113491
Energy: 0.6138090208309139
Energy: 0.5733280665495195
Energy: 0.5703682688552237
Energy: 0.5696143981417563
Energy: 0.5719093398965317
Energy: 0.5706101160814266
Energy: 0.5885885825239181
Energy: 0.581309711603426
Energy: 0.5815414984121475
Energy: 0.5962228772353297
Energy: 0.5813268534161479
Energy: 0.5830543256283532
Energy: 0.6078230066259236
Energy: 0.5745044293406606
Energy: 0.572095820028929
Energy: 0.5718265610424939
Energy: 0.5760583492415917
Energy: 0.5729451975857403
Energy: 0.5821353368129001
Energy: 0.5409714455531537
Energy: 0.540977679112119
Energy: 0.5825886958506089
Energy: 0.5410164786984254
Energy: 0.5408450052641282
Energy: 0.5852092468524802
Energy: 0.5409495440037937
Energy: 0.5410356735222683
Energy: 0.5710208982183875
Energy: 0.5410464720479778
Energy: 0.5409343241639752
Energy: 0.58896088996984
Energy: 0.5756019673723067
Energy: 0.5747244142418839
Energy: 0.5804979092344553
Energy: 0.5758675258176602
Energy: 0.5738483898168645
Energy: 0.5849824458345221
Energy: 0.5739713804383011
Energy: 0.5744534775523589
Energy: 0.5735440372079981
Energy: 0.5755126851454453
Energy: 0.5754367921245765
Energy: 0.5889833986968491
Energy: 0.5781089054463885
Energy: 0.5780915188510138
Energy: 0.5819801916246187
Energy: 0.5778648621122938
Energy: 0.5771167585309054
Energy: 0.5869093208076172
Energy: 0.575926709494468
Energy: 0.5741209161089714
Energy: 0.5744722143116344
Energy: 0.5778371248575278
Energy: 0.5734204122675347
Energy: 0.6101814192182567
Energy: 0.6002464830332165
Energy: 0.5921064530657478
Energy: 0.5660898304673495
Energy: 0.5993305356480632
Energy: 0.5665387652769022

minimum gb energy = 0.540474102975759 eV
minimum distance =  2.64153695464886 Angstroms
sigma value = 19


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

Energy: 0.598523006665293
Energy: 0.5464044381345566
Energy: 0.5522703970271221
Energy: 0.5671603422441794
Energy: 0.5538316645362099
Energy: 0.552099302263176
Energy: 0.5740220905880179
Energy: 0.5639407458329669
Energy: 0.5600078952531032
Energy: 0.5801015997814707
Energy: 0.5666194640792334
Energy: 0.5602573715243263
Energy: 0.5778386669032846
Energy: 0.5594527133688068
Energy: 0.5612093769941117
Energy: 0.5700827388421355
Energy: 0.5595051917443457
Energy: 0.5604130778168486
Energy: 0.5765314551970174
Energy: 0.566420071757133
Energy: 0.5666397820253248
Energy: 0.562648756386242
Energy: 0.5668532801084581
Energy: 0.5668697985877234
Energy: 0.5819918426859203
Energy: 0.5629298663709779
Energy: 0.5615853697280273
Energy: 0.5644315896427177
Energy: 0.5757018150440497
Energy: 0.5609994119391074
Energy: 0.584443963533885
Energy: 0.5794828552802967
Energy: 0.5799000475137348
Energy: 0.5769777086397079
Energy: 0.5674156472104054
Energy: 0.5796029400692911
Energy: 0.5783082130552206
Energy: 0.562898163261264
Energy: 0.5616497142349919
Energy: 0.574932373523942
Energy: 0.5656466499288125
Energy: 0.5601282326751524
Energy: 0.5764276334163698
Energy: 0.5650970791909492
Energy: 0.558882116001096
Energy: 0.562438170084908
Energy: 0.5662151075633808
Energy: 0.5640839968753107
Energy: 0.5757424319902151
Energy: 0.5593887008316379
Energy: 0.5637378480802634
Energy: 0.5708423449275243
Energy: 0.5616415030400106
Energy: 0.5641858595136549
Energy: 0.581423374608915
Energy: 0.5659569812051394
Energy: 0.5653659712890258
Energy: 0.5722495080575517
Energy: 0.5672059283182264
Energy: 0.5656754046969734
Energy: 0.5779265769887258
Energy: 0.5539017444409756
Energy: 0.5531048955559249
Energy: 0.5751972836532536
Energy: 0.5557295884708253
Energy: 0.5538061888802234
Energy: 0.5727591439575179
Energy: 0.5647513297744191
Energy: 0.5522981760607942
Energy: 0.5527349069761649
Energy: 0.5587194569586128
Energy: 0.5526935307549362
Energy: 0.5901694512867149
Energy: 0.5588845272550887
Energy: 0.5613825583674182
Energy: 0.5595684020289478
Energy: 0.5596798491957476
Energy: 0.5625915993417807
Energy: 0.6017610161174658
Energy: 0.571086009629191
Energy: 0.5702206806110154
Energy: 0.5514420060712102
Energy: 0.5719887204259057
Energy: 0.5647228574943239
Energy: 0.5726066040729413
Energy: 0.5530419487289305
Energy: 0.5574439697353749
Energy: 0.5579410907168083
Energy: 0.552771911143882
Energy: 0.5570423055059213
Energy: 0.5824041184772607
Energy: 0.5522349547837335
Energy: 0.5524241028276276
Energy: 0.5585607263284236
Energy: 0.5571488470829118
Energy: 0.5525260916154602
Energy: 0.5756955771200418
Energy: 0.563217416310765
Energy: 0.5655059152237574
Energy: 0.5529138680462018
Energy: 0.5661301817983911
Energy: 0.5665355944299817
Energy: 0.5885277683106745
Energy: 0.5518716360324646
Energy: 0.5519001495704656
Energy: 0.5542792790289991
Energy: 0.5499555561603424
Energy: 0.5520063919494714
Energy: 0.5834818566290494
Energy: 0.5668895664253418
Energy: 0.566915014326319
Energy: 0.5719228789998927
Energy: 0.5586640258340456
Energy: 0.5569309079268734
Energy: 0.5690727628006154
Energy: 0.5540541434286415
Energy: 0.5538839197351214
Energy: 0.554049808519011
Energy: 0.5542500821517464
Energy: 0.5586413159110886
Energy: 0.5618768701557066
Energy: 0.5519685967351198
Energy: 0.5529483429894744
Energy: 0.5600959482755885
Energy: 0.549487085736931
Energy: 0.554523442902638
Energy: 0.5594216680064994
Energy: 0.5521622205114505
Energy: 0.5519702660866851
Energy: 0.5613910374437335
Energy: 0.5508034683953242
Energy: 0.5523845463753368
Energy: 0.5749691437826112
Energy: 0.5730398835271509
Energy: 0.5746129806281268
Energy: 0.5718872084026226
Energy: 0.5711147137263711
Energy: 0.5585092398312145
Energy: 0.58848834392509
Energy: 0.5521383005772283
Energy: 0.5560453636340108
Energy: 0.5790380505817242
Energy: 0.5492694581139528
Energy: 0.5582443349003483
Energy: 0.5862270443676106
Energy: 0.5504311317704625
Energy: 0.5539636923927036
Energy: 0.5618862130080309
Energy: 0.5465891047937099
Energy: 0.5543952444443614
Energy: 0.5813565315102478
Energy: 0.5598140710865637
Energy: 0.5598918789197878
Energy: 0.5596264096716937
Energy: 0.5626614072527045
Energy: 0.5590412723351759
Energy: 0.5775822083395211
Energy: 0.5597282339753029
Energy: 0.5636394125745472
Energy: 0.5686050781424693
Energy: 0.5593736948483179
Energy: 0.5632939104591729
Energy: 0.5779356325080097
Energy: 0.5599125426965496
Energy: 0.5596404225766427
Energy: 0.5594778576614208
Energy: 0.5605174183451809
Energy: 0.5595300746166247
Energy: 0.5866576537891738
Energy: 0.5813370479265975
Energy: 0.5900445974494366
Energy: 0.5517002423310272
Energy: 0.5849866182668678
Energy: 0.5609701881976623

minimum gb energy = 0.5464044381345566 eV
minimum distance =  2.63580399510553 Angstroms
sigma value = 101


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

Energy: 0.8449844868879995
Energy: 0.5491275231729132
Energy: 0.5485555656371952
Energy: 0.5351383220945597
Energy: 0.5461718514218544
Energy: 0.5305761672527689
Energy: 0.5951924347940734
Energy: 0.5432222962629837
Energy: 0.5446547434740924
Energy: 0.5518106324422342
Energy: 0.5444654854216199
Energy: 0.5441083015492207
Energy: 0.5706552605646269
Energy: 0.5390768246462763
Energy: 0.5419851309475493
Energy: 0.5417958879629179
Energy: 0.5404302519153309
Energy: 0.5426050701845163
Energy: 0.5624642059848013
Energy: 0.543735997979525
Energy: 0.5437629076537228
Energy: 0.547645351597158
Energy: 0.543230132174916
Energy: 0.5437149895009986
Energy: 0.5532956814682172
Energy: 0.5418007387586493
Energy: 0.5438011981849963
Energy: 0.5482913659040919
Energy: 0.5604340984638525
Energy: 0.5469255287399583
Energy: 0.5511367871637756
Energy: 0.5456301978642071
Energy: 0.5430330186747125
Energy: 0.5565826128066331
Energy: 0.5468307845066473
Energy: 0.5458995255742674
Energy: 0.5614170247696373
Energy: 0.537491257311522
Energy: 0.5392238038206133
Energy: 0.5572498555318419
Energy: 0.5383833927708437
Energy: 0.5422023176086347
Energy: 0.5619921836495242
Energy: 0.5415223371538296
Energy: 0.5417991376453348
Energy: 0.554988365346709
Energy: 0.5479408006107095
Energy: 0.5565910195478802
Energy: 0.5430908349271869
Energy: 0.5439476468966395
Energy: 0.5408664954195794
Energy: 0.5409375290945208
Energy: 0.5396068794045491
Energy: 0.5391051232846419
Energy: 0.5510731544854082
Energy: 0.5519318700754564
Energy: 0.5505394056381417
Energy: 0.5443561857154563
Energy: 0.5422690468300222
Energy: 0.5505483716256752
Energy: 0.568587785453816
Energy: 0.531287192693057
Energy: 0.5387751206407968
Energy: 0.558822672473458
Energy: 0.5315905478955152
Energy: 0.5357392633532976
Energy: 0.5686262977846138
Energy: 0.5396993467308087
Energy: 0.54682025782061
Energy: 0.5514500830567167
Energy: 0.5414058306321834
Energy: 0.5472945988997042
Energy: 0.5532130811631469
Energy: 0.5392328413299367
Energy: 0.5442206032204226
Energy: 0.5396977443852878
Energy: 0.5393691121452993
Energy: 0.5419695435596027
Energy: 0.5580611180898056
Energy: 0.5465309255931857
Energy: 0.5451602361036724
Energy: 0.5410537116657317
Energy: 0.5433309572729478
Energy: 0.5432131185506005
Energy: 0.5682207913366846
Energy: 0.5402519553545416
Energy: 0.5400052857153295
Energy: 0.5426457325279788
Energy: 0.5405204078729541
Energy: 0.5409891451591027
Energy: 0.5678638802161438
Energy: 0.5433452469700063
Energy: 0.5447496669777173
Energy: 0.5448971981165679
Energy: 0.5447861044152131
Energy: 0.5446065331937848
Energy: 0.5492409726574141
Energy: 0.5657721170122463
Energy: 0.5474036130350418
Energy: 0.5299697297986408
Energy: 0.5519503423043159
Energy: 0.531380722933468
Energy: 0.5939683317052514
Energy: 0.5457604102590896
Energy: 0.5442009422286822
Energy: 0.5482433675337354
Energy: 0.5477204221562154
Energy: 0.546459226575404
Energy: 0.5680391098459859
Energy: 0.5415948633793287
Energy: 0.5415370029821686
Energy: 0.5394820058255846
Energy: 0.543507289672448
Energy: 0.5426480106031994
Energy: 0.5614207327536934
Energy: 0.542820209110703
Energy: 0.5426091404475324
Energy: 0.5491205924119337
Energy: 0.5425421062651942
Energy: 0.5431196277873028
Energy: 0.5548537998786199
Energy: 0.5398262143123503
Energy: 0.5425235263184005
Energy: 0.548712731761325
Energy: 0.5461359818083945
Energy: 0.5444062730991256
Energy: 0.5521858700007521
Energy: 0.5445640006978444
Energy: 0.5437749015760718
Energy: 0.5446543882444524
Energy: 0.5423297706256647
Energy: 0.5428439293781157
Energy: 0.5570352840548027
Energy: 0.5404242869156726
Energy: 0.5411660324668346
Energy: 0.5522264119844145
Energy: 0.5403903838522586
Energy: 0.5430475327221824
Energy: 0.5681505139931066
Energy: 0.5409430981976567
Energy: 0.5415223446178468
Energy: 0.5514559333368917
Energy: 0.5426429237774206
Energy: 0.5471904853945475
Energy: 0.5492799567500642
Energy: 0.5451845677739121
Energy: 0.5439183919706095
Energy: 0.5416503814637272
Energy: 0.5399006240195338
Energy: 0.5428215809689332
Energy: 0.5437159204601313
Energy: 0.5477476192476057
Energy: 0.5456151639159473
Energy: 0.5407279518589567
Energy: 0.5416361706301542
Energy: 0.5445962594741738
Energy: 0.5660072417003653
Energy: 0.5318086749302294
Energy: 0.5320458492225085
Energy: 0.5494759929364533
Energy: 0.5324382008003993
Energy: 0.5330147608356617
Energy: 0.5683470248143627
Energy: 0.5307553202416985
Energy: 0.5372254618804347
Energy: 0.5436318554896743
Energy: 0.5315015411312041
Energy: 0.5444215879655717
Energy: 0.5569894919991003
Energy: 0.5436525729702351
Energy: 0.5438503828959917
Energy: 0.5386210403371384
Energy: 0.5433849043852
Energy: 0.5427694152561003
Energy: 0.5547884267003207
Energy: 0.5460231969635468
Energy: 0.5445002232024055
Energy: 0.5392998608118175
Energy: 0.5483573517568525
Energy: 0.5435568837893592
Energy: 0.5684003696107849
Energy: 0.543201295985604
Energy: 0.5427124027760728
Energy: 0.542786498805968
Energy: 0.5400736320947312
Energy: 0.5432566369743922
Energy: 0.5685827765892916
Energy: 0.5458563787351337
Energy: 0.5447386588232221
Energy: 0.5394484631667263
Energy: 0.5414357648082304
Energy: 0.5448426477687309
Energy: 0.5518672595490915
Energy: 0.5461204110418229
Energy: 0.532472263948151
Energy: 0.5285410879919944
Energy: 0.5399584085173833
Energy: 0.5314398855651293

minimum gb energy = 0.5285410879919944 eV
minimum distance =  2.62405079325797 Angstroms
sigma value = 33


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

Energy: 0.01346226754301677
Energy: 0.014819296489002206
Energy: 0.014019549589500586
Energy: 0.014887755906351614
Energy: 0.5548130548377906
Energy: 0.014034765337664176
Energy: 0.014091796715518756
Energy: 0.07087977397810538
Energy: 0.06967129252748992
Energy: 0.07190973052285156
Energy: 0.07085931303292532
Energy: 0.06956666610562896
Energy: 0.7482158312545234
Energy: 0.5536257005406618
Energy: 0.5528296376264231
Energy: 0.5541858011483588
Energy: 0.5553914788848106
Energy: 0.5526094981094135
Energy: 0.014091796715518756
Energy: 0.07087977397777656
Energy: 0.0696712925322482
Energy: 0.07190973052488253
Energy: 0.07085931303224835
Energy: 0.06956666610528081

minimum gb energy = 0.01346226754301677 eV
minimum distance =  2.84949925596964 Angstroms
sigma value = 1