Model name: model_name=MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049998879432679
cohesive_energy=3.36025423720221
mass=26.981538
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=[3.48204252220488e-19, 3.913508689741079e-19, 4.1544760554946797e-19, 4.3201411194502795e-19, 4.44839535900198e-19, 4.555420758153179e-19, 4.64905196064414e-19, 4.733390538657899e-19, 4.81072760478108e-19, 4.8823128567882e-19, 4.94885125239822e-19, 5.010679248704279e-19, 5.06798910690246e-19, 5.120796848759099e-19, 5.1691024742742e-19, 5.212809852849719e-19, 5.25180683212128e-19, 5.28599728149084e-19, 5.31525302682768e-19, 5.33946191576742e-19, 5.358479752413e-19, 5.37219438440004e-19, 5.3805096811305e-19, 5.383297468473659e-19, 5.38022128933638e-19, 5.37020768537388e-19, 5.351942871746279e-19, 5.32384069358592e-19, 5.28396251716566e-19, 5.2299851863662e-19, 5.15905682677902e-19, 5.06762060627664e-19, 4.9513666697136e-19, 4.80483159476796e-19, 4.62119010897888e-19, 4.3918225020554395e-19, 4.1056417116903593e-19, 3.74838836584104e-19, 3.3013971067213794e-19, 2.74001043593412e-19, 2.0311594277534998e-19, 1.1298084991744139e-19, -2.6342667780901197e-21, -1.525244918565222e-19, -3.49389862929648e-19, -6.12090754723458e-19, -9.6954917918193e-19, -1.4673871159582137e-18, -2.17974528879066e-18, -3.23069305186296e-18, -4.83330227355414e-18, -7.35812436577572e-18, -1.1429431432199458e-17, -1.7908329326535e-17]
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: 0.010325842353496791
Energy: 0.01069979870714219
Energy: 0.0110955438226889
Energy: 0.012490107412646589
Energy: 0.29795633583805037
Energy: 0.010927384299446164
Energy: 0.010700947822715039
Energy: 0.0663242486315878
Energy: 0.06640237881721246
Energy: 0.06622678225405161
Energy: 0.06616932031981079
Energy: 0.0663715196594982
Energy: 0.011109796884416991
Energy: 0.06640237881696259
Energy: 0.06668919054318675
Energy: 0.010903456609710383
Energy: 0.06616384592974828
Energy: 0.06645127370733692
Energy: 0.012490107412646589
Energy: 0.06622678225405161
Energy: 0.010905263889750041
Energy: 0.010776097093053319
Energy: 0.06589535102210435
Energy: 0.010757495245479717
Energy: 0.29795633582217046
Energy: 0.0661703027685468
Energy: 0.06616484810037437
Energy: 0.06587824325255483
Energy: 0.06626352335306751
Energy: 0.06595267423449293
Energy: 0.010927383910666269
Energy: 0.06637151965999791
Energy: 0.06645127370733692
Energy: 0.010757545880368584
Energy: 0.06595267423424307
Energy: 0.011044013754290783

minimum gb energy = 0.010325842353496791 eV
minimum distance =  2.85669747888952 Angstroms
sigma value = 1


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

Energy: 0.9009155414893661
Energy: 0.6232898018815161
Energy: 0.5971886181876083
Energy: 0.6067735664830938
Energy: 0.8572295928573871
Energy: 0.5977054323632872
Energy: 0.7988336930833265
Energy: 0.5674280637329783
Energy: 0.5898435290305553
Energy: 0.578961924137584
Energy: 0.5737160408805426
Energy: 0.5943667211676007
Energy: 0.8233243532374124
Energy: 0.5664543081195736
Energy: 0.5713840553289484
Energy: 0.5684535895713934
Energy: 0.5664174383419331
Energy: 0.5789034824386684
Energy: 0.828485363988306
Energy: 0.5677369465274236
Energy: 0.5881451332417599
Energy: 0.5738264507136711
Energy: 0.5671633086008115
Energy: 0.5890956526108276
Energy: 0.763797612648723
Energy: 0.5988734650464244
Energy: 0.5896374942710847
Energy: 0.588424672859076
Energy: 0.5989863823394027
Energy: 0.585654490535901
Energy: 0.7496491258011151
Energy: 0.5792077917781169
Energy: 0.5798823225029804
Energy: 0.5737270259343586
Energy: 0.573148738319203
Energy: 0.5829347724780954
Energy: 0.7506336233112346
Energy: 0.6126466580613611
Energy: 0.6176493827676219
Energy: 0.583715267741501
Energy: 0.613828683197828
Energy: 0.6268926150159829
Energy: 0.741990168422545
Energy: 0.5886113006608392
Energy: 0.6092845436721401
Energy: 0.6148828450797741
Energy: 0.5728130898729014
Energy: 0.6164590483007792
Energy: 0.6351342932963789
Energy: 0.5732397587093805
Energy: 0.5891258462830367
Energy: 0.5689434208578877
Energy: 0.5745606343225944
Energy: 0.5766233366437296
Energy: 0.6613991712278667
Energy: 0.6048013649619471
Energy: 0.5787242292192157
Energy: 0.6079129684255153
Energy: 0.5924379262658201
Energy: 0.5765905040674518
Energy: 0.730332050130146
Energy: 0.5964176843430367
Energy: 0.5945011305260248
Energy: 0.6787937770498166
Energy: 0.5820457146114214
Energy: 0.5660062284359584
Energy: 0.5717448152129135
Energy: 0.6155155616866508
Energy: 0.5755245951303496
Energy: 0.5727497050422882
Energy: 0.5753625837504391
Energy: 0.5702629383982324
Energy: 0.5782772690343698
Energy: 0.6018633469738929
Energy: 0.5937320423533647
Energy: 0.5783722043593119
Energy: 0.580966270478143
Energy: 0.5765579912695592
Energy: 0.6215837903287117
Energy: 0.5881757701908931
Energy: 0.5882655868022786
Energy: 0.5680951077053904
Energy: 0.5746341097069486
Energy: 0.5690517602051892
Energy: 0.6158630470656526
Energy: 0.6080838210342713
Energy: 0.5805810317165956
Energy: 0.5876356299771247
Energy: 0.5899518181768256
Energy: 0.5773485260305086
Energy: 0.5914004010202766
Energy: 0.5698810006361376
Energy: 0.587968421698523
Energy: 0.5755552001583217
Energy: 0.568633518774439
Energy: 0.5701741938924901
Energy: 0.7488602514874928
Energy: 0.5901019135543436
Energy: 0.6015134702552493
Energy: 0.591194738944844
Energy: 0.5791722392116953
Energy: 0.5891618471701685
Energy: 0.685111465271331
Energy: 0.5947223218808271
Energy: 0.5987397863445777
Energy: 0.5730215259073399
Energy: 0.592262716893698
Energy: 0.5992375599513411
Energy: 0.6954944514001583
Energy: 0.5857090688980918
Energy: 0.583615223187084
Energy: 0.5813675585935724
Energy: 0.580698908074432
Energy: 0.5831059059086203
Energy: 0.7376072337213171
Energy: 0.6013528371117068
Energy: 0.5998778258308619
Energy: 0.5961861323906953
Energy: 0.590015837519439
Energy: 0.5994097639280845
Energy: 0.782762967351953
Energy: 0.5889318680698296
Energy: 0.5978851891228432
Energy: 0.5829937603665453
Energy: 0.5891781071668338
Energy: 0.5944280420459404
Energy: 0.7826547679788769
Energy: 0.5753085849854577
Energy: 0.5701118605404203
Energy: 0.5769797095256689
Energy: 0.5739199495847279
Energy: 0.5738328241872283
Energy: 0.7988060267896526
Energy: 0.5746344326714357
Energy: 0.6060712509638483
Energy: 0.5963781534581812
Energy: 0.5735907581417097
Energy: 0.6106082568977752

minimum gb energy = 0.5660062284359584 eV
minimum distance =  2.55326364635163 Angstroms
sigma value = 33


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

Energy: 1.0562664914770576
Energy: 0.6227882292128327
Energy: 0.6038655981696974
Energy: 0.7855379354925721
Energy: 0.8253806112150344
Energy: 0.6185680367288292
Energy: 0.8318402020707618
Energy: 0.588760083752763
Energy: 0.5894921467191885
Energy: 0.6168978764118122
Energy: 0.5876580803084936
Energy: 0.6222009360963219
Energy: 0.7853252441839277
Energy: 0.6113342322293598
Energy: 0.5849947980364708
Energy: 0.5950340617010239
Energy: 0.5875131714246936
Energy: 0.6120537713484385
Energy: 0.8184988399404648
Energy: 0.6086681063529384
Energy: 0.6177248557426833
Energy: 0.5978579518075929
Energy: 0.6285490229751228
Energy: 0.6171503441028906
Energy: 0.7363500179260979
Energy: 0.6241152293967472
Energy: 0.6278516510679082
Energy: 0.6108282455267052
Energy: 0.6253481295906758
Energy: 0.6313478161092921
Energy: 0.7870786515447167
Energy: 0.6179983695839566
Energy: 0.6204234987768648
Energy: 0.6202591105258756
Energy: 0.6284084622669549
Energy: 0.6215920315604269
Energy: 0.79355714941206
Energy: 0.6328883605391725
Energy: 0.6454697891327293
Energy: 0.6203294004241551
Energy: 0.624193452877811
Energy: 0.6302894307331637
Energy: 0.7425270447356159
Energy: 0.5691550416560004
Energy: 0.6042804587975491
Energy: 0.6270301167009384
Energy: 0.5673612346391739
Energy: 0.6015836558597107
Energy: 0.6782048963987213
Energy: 0.5734320057385623
Energy: 0.5903464107313499
Energy: 0.581323685222078
Energy: 0.5804766304493036
Energy: 0.5907665200600265
Energy: 0.6706903545163554
Energy: 0.5905291730772533
Energy: 0.6084494269658102
Energy: 0.6029045203201144
Energy: 0.5808120076046587
Energy: 0.627798277015608
Energy: 0.6540589823266824
Energy: 0.5567499511572317
Energy: 0.5569138262036466
Energy: 0.6538314118515879
Energy: 0.5570667923237145
Energy: 0.5572080723685032
Energy: 0.6089535186187772
Energy: 0.5710676949751403
Energy: 0.6032057511953295
Energy: 0.6012181811575762
Energy: 0.5714605191705232
Energy: 0.606857358412898
Energy: 0.6060361873383678
Energy: 0.59439334859695
Energy: 0.5941704252761558
Energy: 0.5986842270197487
Energy: 0.5872321415546377
Energy: 0.5943232847719251
Energy: 0.7322033225008445
Energy: 0.607144685757551
Energy: 0.6101109253665504
Energy: 0.6107644902094035
Energy: 0.5951206422772705
Energy: 0.6089365537064768
Energy: 0.6560710265675763
Energy: 0.620765682877931
Energy: 0.614960321745929
Energy: 0.6205190209959249
Energy: 0.6029055873622712
Energy: 0.6143027854544996
Energy: 0.6602200369760519
Energy: 0.6263616044014214
Energy: 0.6193022734527762
Energy: 0.6172912007255326
Energy: 0.6242347204821693
Energy: 0.617697816159502
Energy: 0.8050369776927565
Energy: 0.6249036553503011
Energy: 0.6252699064289751
Energy: 0.6500968931611358
Energy: 0.6390870438723525
Energy: 0.6405430970856563
Energy: 0.7337148107096747
Energy: 0.6302372556276968
Energy: 0.6312136628000742
Energy: 0.5667321070300015
Energy: 0.6305527016405912
Energy: 0.5985010840280063
Energy: 0.7274719157938315
Energy: 0.6007392050493933
Energy: 0.6012184520742131
Energy: 0.5979269128683805
Energy: 0.5814504147401397
Energy: 0.6029600859346239
Energy: 0.802200327869514
Energy: 0.6111456318918878
Energy: 0.6201582645911446
Energy: 0.6254787159153498
Energy: 0.6118378473746233
Energy: 0.6111309909918071
Energy: 0.8772104346208948
Energy: 0.6152632923952064
Energy: 0.5879626820658063
Energy: 0.5883865865446399
Energy: 0.6087915458480094
Energy: 0.5886776301406835
Energy: 0.8864328017834762
Energy: 0.611174162727533
Energy: 0.617631985771767
Energy: 0.6052257031043816
Energy: 0.6084745477184614
Energy: 0.6136514785727395
Energy: 0.7930756573656866
Energy: 0.6095481668792678
Energy: 0.6069483363487791
Energy: 0.6277486736418039
Energy: 0.6031484242881096
Energy: 0.6058334719033608
Energy: 0.8881678492617091
Energy: 0.7011858606149247
Energy: 0.6969351424181666
Energy: 0.5998101208146999
Energy: 0.7129549798269208
Energy: 0.6075339841355045
Energy: 0.7624932797000126
Energy: 0.6190044406145419
Energy: 0.6234933805091971
Energy: 0.6211767347582334
Energy: 0.6096530704874115
Energy: 0.627838472283827
Energy: 0.7917701789328959
Energy: 0.6165297917170145
Energy: 0.6164779830696909
Energy: 0.6253646493147514
Energy: 0.6292032616116571
Energy: 0.6186827414113845
Energy: 0.7987361153175477
Energy: 0.6408604767206398
Energy: 0.6317293390143912
Energy: 0.6176715760860509
Energy: 0.6274530056038092
Energy: 0.6302395211813532
Energy: 0.7471432278621031
Energy: 0.5686386626732871
Energy: 0.6010825697717159
Energy: 0.6213825332406355
Energy: 0.5798004010421964
Energy: 0.6248978436721193
Energy: 0.6758546753435449
Energy: 0.5610430788182406
Energy: 0.5841928005942946
Energy: 0.5691199652239781
Energy: 0.5666172954472309
Energy: 0.598063539941385
Energy: 0.6710512375608773
Energy: 0.597551928611046
Energy: 0.5939330464360649
Energy: 0.5745075808282978
Energy: 0.5925478394350011
Energy: 0.606338255150281
Energy: 0.7361284165285799
Energy: 0.5569047325049938
Energy: 0.5570726969634624
Energy: 0.5976783087859847
Energy: 0.5568798349775461
Energy: 0.5573964839464236
Energy: 0.6230434536894374
Energy: 0.5795518599411356
Energy: 0.5797326073845969
Energy: 0.5967215000731318
Energy: 0.5571373329019755
Energy: 0.5962483468740201
Energy: 0.6131215797765259
Energy: 0.591760795121675
Energy: 0.5973319693725095
Energy: 0.6040682252453694
Energy: 0.5846555381780085
Energy: 0.5962556491553037
Energy: 0.6146601260999945
Energy: 0.6100156176052141
Energy: 0.6072723842458648
Energy: 0.6040594143678321
Energy: 0.5990180228235237
Energy: 0.6097568730073128
Energy: 0.6636026808907699
Energy: 0.6268089076444368
Energy: 0.621303537773661
Energy: 0.6175348140008534
Energy: 0.6143357146684512
Energy: 0.617326960695994
Energy: 0.6639341037509147
Energy: 0.6189052370022528
Energy: 0.6184610242859618
Energy: 0.6177183868247701
Energy: 0.625720946194308
Energy: 0.6193246062413041
Energy: 0.7772259897877555
Energy: 0.6340304658592704
Energy: 0.6275201619976238
Energy: 0.735100645348318
Energy: 0.6236578809701829
Energy: 0.6356755246214983
Energy: 0.719074443205087
Energy: 0.6221733712720695
Energy: 0.621334345397615
Energy: 0.5873868342530908
Energy: 0.625104761963929
Energy: 0.6488395065207258
Energy: 0.7452960140934158
Energy: 0.6089606632476701
Energy: 0.6051974605154168
Energy: 0.5680610519707343
Energy: 0.6043951741145941
Energy: 0.6003569013405842
Energy: 0.7668439628714278
Energy: 0.5864446286670552
Energy: 0.5973569497067779
Energy: 0.5998704188218934
Energy: 0.5634275116121094
Energy: 0.6170413040416175
Energy: 0.8451921721029041
Energy: 0.5850832945104185
Energy: 0.5811297266284263
Energy: 0.5716803953811822
Energy: 0.5856274271681824
Energy: 0.5855008772902993

minimum gb energy = 0.5567499511572317 eV
minimum distance =  2.62128603734737 Angstroms
sigma value = 51


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

Energy: 0.9605803660709005
Energy: 0.6315219964918516
Energy: 0.6320670212620519
Energy: 0.7435060069233619
Energy: 0.7309595334845109
Energy: 0.5944830505805303
Energy: 0.7812303317002067
Energy: 0.576063619336525
Energy: 0.575696254371948
Energy: 0.6058802031098462
Energy: 0.5713977947043645
Energy: 0.5854229178310322
Energy: 0.7877143987965425
Energy: 0.5642041042758494
Energy: 0.5631916630168271
Energy: 0.597589418381464
Energy: 0.5634188411050883
Energy: 0.5630759514547776
Energy: 0.7777344614515624
Energy: 0.5754521255807173
Energy: 0.5766500163724037
Energy: 0.5855301541672742
Energy: 0.5742059091512618
Energy: 0.5968643630377647
Energy: 0.7431760667271433
Energy: 0.5802090319894742
Energy: 0.6063904795279859
Energy: 0.6167483095321703
Energy: 0.5798656753333868
Energy: 0.6053236228439224
Energy: 0.6887058027618219
Energy: 0.5663006657773672
Energy: 0.5642657677313385
Energy: 0.5887469898663533
Energy: 0.5742826982377974
Energy: 0.5642901601016161
Energy: 0.6852731404535719
Energy: 0.6276444594907015
Energy: 0.591708202917318
Energy: 0.581239417830215
Energy: 0.5881972040027768
Energy: 0.616480861085431
Energy: 0.7277243817319575
Energy: 0.5670216406807446
Energy: 0.5835494244093861
Energy: 0.6287806748404386
Energy: 0.566146667593973
Energy: 0.5758170570599664
Energy: 0.5822002529023124
Energy: 0.5923378435391223
Energy: 0.5722652600654243
Energy: 0.5822764389965899
Energy: 0.5933576241786783
Energy: 0.5778046171247457
Energy: 0.5716652127615616
Energy: 0.6127109117265589
Energy: 0.5839074701590623
Energy: 0.571723366997938
Energy: 0.6175337495679676
Energy: 0.5826541271218955
Energy: 0.570174252013943
Energy: 0.5808433130920619
Energy: 0.5753971133108334
Energy: 0.5707365200736332
Energy: 0.5799505246534448
Energy: 0.5694313040035683
Energy: 0.6165203974557901
Energy: 0.6049469808507374
Energy: 0.6059458112788356
Energy: 0.591445567570133
Energy: 0.604463211279633
Energy: 0.6165348106321268
Energy: 0.6203457849591163
Energy: 0.5775417767674871
Energy: 0.5563536515540702
Energy: 0.5821647281187746
Energy: 0.5779880322851925
Energy: 0.5556162775728284
Energy: 0.6276307487150018
Energy: 0.5876968931861882
Energy: 0.6022736137613679
Energy: 0.6876501063151476
Energy: 0.5871259560078279
Energy: 0.6328459534634099
Energy: 0.7210298470115593
Energy: 0.5831094299373658
Energy: 0.6127927788857546
Energy: 0.5598156154466876
Energy: 0.6276224098114821
Energy: 0.5995775576641363
Energy: 0.7544890991679614
Energy: 0.5911836238754892
Energy: 0.5891038047701953
Energy: 0.5879026747433347
Energy: 0.5903007452792142
Energy: 0.6036855175731691
Energy: 0.7512219335824912
Energy: 0.5751717139063254
Energy: 0.6006683106795349
Energy: 0.6068551954274686
Energy: 0.5829090427021474
Energy: 0.5667092112761997
Energy: 0.8200671788561648
Energy: 0.579914920272418
Energy: 0.5681106882547937
Energy: 0.5659172328010768
Energy: 0.5794205275096844
Energy: 0.5683115160446817

minimum gb energy = 0.5556162775728284 eV
minimum distance =  2.65060692111696 Angstroms
sigma value = 19


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

Energy: 0.8629714658271739
Energy: 0.5774420566006349
Energy: 0.5497816210362717
Energy: 0.6424470371417482
Energy: 0.5677713898036552
Energy: 0.574795728335369
Energy: 0.7122977594633996
Energy: 0.5684612124634408
Energy: 0.5686747608506666
Energy: 0.5715158577731285
Energy: 0.5708777721541639
Energy: 0.5536536524312867
Energy: 0.6767211092633934
Energy: 0.5984683670551929
Energy: 0.5689764586628063
Energy: 0.6011932715288363
Energy: 0.5700763311810795
Energy: 0.6069047536254291
Energy: 0.7089978072784522
Energy: 0.6340988855962514
Energy: 0.5911795631100034
Energy: 0.5805478058972592
Energy: 0.6548916814447187
Energy: 0.5911241690781445
Energy: 0.6456217091758492
Energy: 0.5925873605764622
Energy: 0.6196932071417179
Energy: 0.6099523873695232
Energy: 0.6380156796461541
Energy: 0.604168051939683
Energy: 0.6909752297963324
Energy: 0.5527954443822546
Energy: 0.5837968309063255
Energy: 0.6072909604703833
Energy: 0.5684677341739832
Energy: 0.5863172438267442
Energy: 0.681573706290244
Energy: 0.5928264234367744
Energy: 0.5990886130197625
Energy: 0.6692477061977222
Energy: 0.6168571116928261
Energy: 0.6011552088201536
Energy: 0.6492007400967708
Energy: 0.5018652086602083
Energy: 0.5013976415860658
Energy: 0.6458737245987909
Energy: 0.5365594733986515
Energy: 0.5059668417322537
Energy: 0.6168261777893901
Energy: 0.5025980328976664
Energy: 0.5003118317568321
Energy: 0.6122794794169047
Energy: 0.5021198535129294
Energy: 0.5069869411345971
Energy: 0.5918643251335629
Energy: 0.6010678911867554
Energy: 0.6043192222182829
Energy: 0.6015875967168562
Energy: 0.6199768436697881
Energy: 0.6043519668412994
Energy: 0.5930585397916078
Energy: 0.5592694470237767
Energy: 0.5760036917388993
Energy: 0.5928413947959565
Energy: 0.6335983891836043
Energy: 0.5869392580331961
Energy: 0.6543270796625269
Energy: 0.6148388123609853
Energy: 0.6148883813900522
Energy: 0.6239978080920237
Energy: 0.6229255696542406
Energy: 0.6328801271533948
Energy: 0.5753821301616981
Energy: 0.6005385900315137
Energy: 0.5990047378356502
Energy: 0.5769093330934113
Energy: 0.6739486837073774
Energy: 0.6025936174050609
Energy: 0.6755669639400875
Energy: 0.617363036833361
Energy: 0.6149347025313098
Energy: 0.6211925323551165
Energy: 0.6202823916067151
Energy: 0.6339978961868222
Energy: 0.7302000271231599
Energy: 0.5840614105152699
Energy: 0.583417842417687
Energy: 0.5011812365543749
Energy: 0.5856269683905027
Energy: 0.506051958707292
Energy: 0.7384973316887321
Energy: 0.608813765955047
Energy: 0.550002277033599
Energy: 0.5401197900627649
Energy: 0.6107633323290933
Energy: 0.5211499043067175
Energy: 0.6859253561968781
Energy: 0.5982424476683297
Energy: 0.6070657898178544
Energy: 0.6287065780415856
Energy: 0.6001441574208071
Energy: 0.6038545230097913
Energy: 0.6630476415776827
Energy: 0.5918137035334534
Energy: 0.5854677321316337
Energy: 0.5750927049982391
Energy: 0.593228039109914
Energy: 0.5849009186851265
Energy: 0.7135613260332314
Energy: 0.5923317793452678
Energy: 0.5861889211709801
Energy: 0.5760044855883144
Energy: 0.6008826087205733
Energy: 0.5915663758538343
Energy: 0.6942016163516055
Energy: 0.5532745485045699
Energy: 0.616496896153677
Energy: 0.6934163085703849
Energy: 0.5674190362989074
Energy: 0.5896738796275457
Energy: 0.6972481873773339
Energy: 0.6269202472856097
Energy: 0.6174925110353355
Energy: 0.621788622326378
Energy: 0.6342750203036411
Energy: 0.6245018522997644
Energy: 0.7350716794394936
Energy: 0.6248775756183096
Energy: 0.6247436586445952
Energy: 0.5920081875263624
Energy: 0.6258301526565128
Energy: 0.6049587752703636
Energy: 0.6442761695105212
Energy: 0.6423424884846748
Energy: 0.5193410203978754
Energy: 0.6955187639585331
Energy: 0.5563662074564826
Energy: 0.5522471610502017
Energy: 0.5979464181141355
Energy: 0.5855865791901734
Energy: 0.5841402673067752
Energy: 0.5978976843434489
Energy: 0.6118437859983576
Energy: 0.5816827403675524
Energy: 0.5885605531252391
Energy: 0.6268485613568696
Energy: 0.5919481368257821
Energy: 0.5917448863144001
Energy: 0.6311159028626033
Energy: 0.5914106904557213
Energy: 0.6467072571634036
Energy: 0.5741873692111854
Energy: 0.5707674765543064
Energy: 0.6353039206808869
Energy: 0.579024449058541
Energy: 0.593120410528691
Energy: 0.6757357835088109
Energy: 0.6181206310791612
Energy: 0.6271232623059068
Energy: 0.6110508401249286
Energy: 0.6123677396571264
Energy: 0.6109870538909963
Energy: 0.5683954380499986
Energy: 0.6034951740696528
Energy: 0.6037132503296603
Energy: 0.5702728548106242
Energy: 0.6091207297259948
Energy: 0.5972052223311725
Energy: 0.7203306997365724
Energy: 0.6074749518878496
Energy: 0.5770424219843115
Energy: 0.5529346442612548
Energy: 0.6489654406181444
Energy: 0.6061419998218336
Energy: 0.8125714537693113
Energy: 0.6166639004808783
Energy: 0.5422284654511005
Energy: 0.539961832115329
Energy: 0.6150094411872397
Energy: 0.5232640357318005

minimum gb energy = 0.5003118317568321 eV
minimum distance =  2.66381828426208 Angstroms
sigma value = 27


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

Energy: 0.722760110124439
Energy: 0.6357874684404052
Energy: 0.6344884340517061
Energy: 0.6203491281299831
Energy: 0.7177460379672231
Energy: 0.6336682099978819
Energy: 0.6825504457088415
Energy: 0.5901154006849002
Energy: 0.5706955326591971
Energy: 0.5984300113166882
Energy: 0.5990500163526757
Energy: 0.5703333069497295
Energy: 0.6568171213703923
Energy: 0.5726329382498648
Energy: 0.5796498682948774
Energy: 0.663989452255757
Energy: 0.5711503275794535
Energy: 0.5806625218856609
Energy: 0.9005583692007354
Energy: 0.6915484749428294
Energy: 0.6503429260584521
Energy: 0.6351179287523843
Energy: 0.674701524758423
Energy: 0.600918465165643
Energy: 0.704035714434337
Energy: 0.6566872474974916
Energy: 0.580684314090284
Energy: 0.6027900050542249
Energy: 0.6074112792153764
Energy: 0.5801286880197903
Energy: 0.5798817368306058
Energy: 0.6235044189662684
Energy: 0.6120834517211332
Energy: 0.5799828271078568
Energy: 0.6232368953323336
Energy: 0.5706492255136287
Energy: 0.5774237151410068
Energy: 0.5718936266066487
Energy: 0.5718458084263159
Energy: 0.5780915678523062
Energy: 0.6341828796079206
Energy: 0.576579095936318
Energy: 0.5977867064678463
Energy: 0.6243569998635589
Energy: 0.5920391885524312
Energy: 0.59777575688904
Energy: 0.6235749201415964
Energy: 0.6257172293414729
Energy: 0.7049355189826612
Energy: 0.5780929122828021
Energy: 0.5978350972864006
Energy: 0.5991767417503814
Energy: 0.6378115388981289
Energy: 0.5981657604112222
Energy: 0.5740517103899769
Energy: 0.6233380849781193
Energy: 0.5864527771889381
Energy: 0.6304862347452815
Energy: 0.6118884692194222
Energy: 0.5924148738307806
Energy: 0.6569977361958398
Energy: 0.5925762706142855
Energy: 0.5898128702565993
Energy: 0.617766098805716
Energy: 0.5928299561148908
Energy: 0.5862704189046508
Energy: 0.6825504465779599
Energy: 0.5901032994694999
Energy: 0.5793889480280693
Energy: 0.6393771724940578
Energy: 0.5903856007757898
Energy: 0.593641227701979

minimum gb energy = 0.5703333069497295 eV
minimum distance =  2.65055838781096 Angstroms
sigma value = 9


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

Energy: 1.0808128442979297
Energy: 0.778501701721832
Energy: 0.6264871274206687
Energy: 0.7920440638864077
Energy: 0.8686101397938413
Energy: 0.7958622623119443
Energy: 0.528448323549331
Energy: 0.564502474179613
Energy: 0.5382268271631026
Energy: 0.6075746242805113
Energy: 0.5662206147550184
Energy: 0.5374499785571969
Energy: 0.5724465313344157
Energy: 0.5453630222168482
Energy: 0.5472044579270766
Energy: 0.5911190585219197
Energy: 0.538928140016402
Energy: 0.5761261090677793
Energy: 0.720951179844322
Energy: 0.5818645281387506
Energy: 0.5727726376136151
Energy: 0.5816955994338726
Energy: 0.5625246568837448
Energy: 0.5706729449611806
Energy: 0.7181211258985207
Energy: 0.5603131231973127
Energy: 0.5695049249851223
Energy: 0.6401634950957115
Energy: 0.6128110549723944
Energy: 0.5844361833263656
Energy: 0.6082880629940659
Energy: 0.6350408821991225
Energy: 0.6282788409721503
Energy: 0.6050480586067696
Energy: 0.6128072846307911
Energy: 0.6118333194600862
Energy: 0.5772708134272884
Energy: 0.6354495880282858
Energy: 0.5788217439129442
Energy: 0.5789243066223752
Energy: 0.5818398562939668
Energy: 0.5793372142266398
Energy: 0.5825290721469493
Energy: 0.5958805103275774
Energy: 0.5891665446597787
Energy: 0.5825751262763317
Energy: 0.591726433469888
Energy: 0.5767362155969084
Energy: 0.7042510493138604
Energy: 0.5749426909982457
Energy: 0.5788946536443386
Energy: 0.6328776980700673
Energy: 0.5922157561079271
Energy: 0.5701509234153078
Energy: 0.820765053411055
Energy: 0.6274419321520908
Energy: 0.5937366835429223
Energy: 0.5859471629317373
Energy: 0.6238412642041354
Energy: 0.5863268555053062
Energy: 0.5231580355993678
Energy: 0.5642248157990044
Energy: 0.5636463400352576
Energy: 0.584302919122705
Energy: 0.5619598591815442
Energy: 0.5641201080597317
Energy: 0.7156004097876223
Energy: 0.578963095523298
Energy: 0.5738834913039742
Energy: 0.6283689323205777
Energy: 0.5818941048947208
Energy: 0.5686794043332627
Energy: 0.962909640338297
Energy: 0.6298724759568238
Energy: 0.6914189072652133
Energy: 0.6404583120242298
Energy: 0.7113200057949803
Energy: 0.6661251924752607
Energy: 0.6428831645820828
Energy: 0.5726431480136386
Energy: 0.6069804793938897
Energy: 0.5786241663876693
Energy: 0.5931459682118231
Energy: 0.59159822787411
Energy: 0.5903241792302745
Energy: 0.563903241947988
Energy: 0.563030310044252
Energy: 0.5909459040862356
Energy: 0.5670807870402876
Energy: 0.5978505466533146
Energy: 0.5401523423014721
Energy: 0.5752668266755047
Energy: 0.5468389124481929
Energy: 0.5413295141432048
Energy: 0.5831687067389302
Energy: 0.5459336305067521
Energy: 0.5650855368921889
Energy: 0.6373931105739962
Energy: 0.6137845602036133
Energy: 0.5653734704668141
Energy: 0.589219757576856
Energy: 0.5652628231999707
Energy: 0.6364907743784622
Energy: 0.6026491812667844
Energy: 0.634344990712053
Energy: 0.5649205519680968
Energy: 0.6235031725139287
Energy: 0.6365408151067121
Energy: 0.6186445754858858
Energy: 0.5540634803416994
Energy: 0.5491833901041696
Energy: 0.5518961054657135
Energy: 0.5869678921178788
Energy: 0.5532328984473937
Energy: 0.5749194713809325
Energy: 0.5521943195023643
Energy: 0.5513528817286991
Energy: 0.5481789195329912
Energy: 0.5482151615853043
Energy: 0.5554834748840348
Energy: 0.5745102334364915
Energy: 0.5517166288247088
Energy: 0.5510643068387677
Energy: 0.5638147877636801
Energy: 0.5520990353807451
Energy: 0.5513377542620463
Energy: 0.668143086445825
Energy: 0.6028520321886012
Energy: 0.628563299881615
Energy: 0.6835201181480284
Energy: 0.5649461045590647
Energy: 0.6426690464433154
Energy: 0.8257089401502324
Energy: 0.565124036326505
Energy: 0.5681863192381887
Energy: 0.6499874334195171
Energy: 0.5707251947508571
Energy: 0.6288365106288368
Energy: 0.571860734930422
Energy: 0.5456434901826136
Energy: 0.5462133653155659
Energy: 0.5786861626909193
Energy: 0.5401847791719515
Energy: 0.563864813150404
Energy: 0.7313689054298261
Energy: 0.5524852380565562
Energy: 0.5976035039019638
Energy: 0.5946867630695112
Energy: 0.5519999209052956
Energy: 0.6064605747864206
Energy: 0.6281596955679036
Energy: 0.5596460791284638
Energy: 0.5679674601379828
Energy: 0.5901820129741588
Energy: 0.5783065916240296
Energy: 0.5910119647499497
Energy: 0.772208258052443
Energy: 0.6544142390439571
Energy: 0.6504728777801666
Energy: 0.7730400286047774
Energy: 0.6466162843622548
Energy: 0.6106792133421682
Energy: 0.5857002690018551
Energy: 0.5718682832959527
Energy: 0.5720281631856542
Energy: 0.5868588452742076
Energy: 0.624498213648104
Energy: 0.5664546120474018
Energy: 0.5840743847573043
Energy: 0.5635014842266762
Energy: 0.5632747503630844
Energy: 0.5851840942225842
Energy: 0.59908313794289
Energy: 0.5645940005498045
Energy: 0.7058486637931883
Energy: 0.6065660244598551
Energy: 0.624289244755399
Energy: 0.6188011730029844
Energy: 0.6056329941596241
Energy: 0.6229106152252292
Energy: 0.5237452228317218
Energy: 0.5757791619784335
Energy: 0.5688547966522456
Energy: 0.5525845879421435
Energy: 0.5609456441410074
Energy: 0.5716724490881836
Energy: 0.8472624905129105
Energy: 0.5856563825980133
Energy: 0.5865677776044614
Energy: 0.6174873179228482
Energy: 0.5823804630896259
Energy: 0.5867313486044471
Energy: 0.6627757298862864
Energy: 0.5629250746439663
Energy: 0.5673767545960227
Energy: 0.5996577051263856
Energy: 0.5643591748075748
Energy: 0.5670814329187321
Energy: 0.8754049152975962
Energy: 0.5827771774676841
Energy: 0.5849421235275739
Energy: 0.6360559636955776
Energy: 0.5830069750250626
Energy: 0.600335635182742
Energy: 0.6714954466726996
Energy: 0.581834451415453
Energy: 0.5748542444525182
Energy: 0.594961054444281
Energy: 0.5862333594698244
Energy: 0.6171358158464701
Energy: 0.6176107456495317
Energy: 0.5730908167594294
Energy: 0.5731684211861383
Energy: 0.5628249127856292
Energy: 0.5723547626977735
Energy: 0.5721716889050946
Energy: 0.5374958295766268
Energy: 0.5818601905484362
Energy: 0.5809562115533211
Energy: 0.5377526384214473
Energy: 0.592402314876241
Energy: 0.5452457852867333
Energy: 0.572327897215958
Energy: 0.5727442460845753
Energy: 0.5453282710734423
Energy: 0.566454571525848
Energy: 0.5813892332609275
Energy: 0.5397137129634679
Energy: 0.565423484170595
Energy: 0.7112573555259137
Energy: 0.7119853391037052
Energy: 0.5657210278330811
Energy: 0.6699244481773226
Energy: 0.7543846545535879
Energy: 0.6356475248279759
Energy: 0.5646303182992305
Energy: 0.5490613077898847
Energy: 0.5576531266999158
Energy: 0.5549461987730241
Energy: 0.5435087947108443
Energy: 0.5724650989291449
Energy: 0.5629558080224193
Energy: 0.561488386017603
Energy: 0.5464595910062806
Energy: 0.5513905672524531
Energy: 0.5486492415578529
Energy: 0.5717972688947025
Energy: 0.5531322199770712
Energy: 0.5540832214619418
Energy: 0.5511063844010861
Energy: 0.5495984264876053
Energy: 0.5672652350078436
Energy: 0.7712575086819087
Energy: 0.5659126010138146
Energy: 0.6071774513474089
Energy: 0.6491184994989461
Energy: 0.5650834678227458
Energy: 0.6286800076564604

minimum gb energy = 0.5231580355993678 eV
minimum distance =  2.59011013683458 Angstroms
sigma value = 57


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

Energy: 0.4361159350541709
Energy: 0.5166013280464473
Energy: 0.4203558027929496
Energy: 0.4349552093895267
Energy: 0.6008024713998984
Energy: 0.4280065760444547
Energy: 0.4366415257309664
Energy: 0.5479135104414595
Energy: 0.538889501409929
Energy: 0.5842242145706239
Energy: 0.5432084074671384
Energy: 0.5271906114138478
Energy: 0.600537780533445
Energy: 0.4965381322524258
Energy: 0.5325967490179103
Energy: 0.5498828943265892
Energy: 0.498390956019449
Energy: 0.5015227043047428
Energy: 0.5772745082172637
Energy: 0.5184320161828561
Energy: 0.5325576880812141
Energy: 0.5224504093362403
Energy: 0.5553096232954327
Energy: 0.5152937759953625
Energy: 0.5762715502991693
Energy: 0.3413926769716348
Energy: 0.3414881153776761
Energy: 0.5135695364440975
Energy: 0.34193876889428243
Energy: 0.5275139570602503
Energy: 0.5832351690916959
Energy: 0.34562548601715515
Energy: 0.3416787045671188
Energy: 0.5866087196324262
Energy: 0.3460315400879886
Energy: 0.3599039090419037
Energy: 0.5758653988209456
Energy: 0.5065719970254979
Energy: 0.5073133095157407
Energy: 0.5084087296031045
Energy: 0.5547711625723433
Energy: 0.5109310009638011
Energy: 0.525437011398336
Energy: 0.5301706799788777
Energy: 0.5176850806500924
Energy: 0.5099679912484096
Energy: 0.5301271113464235
Energy: 0.5148296243920499
Energy: 0.5521969396627201
Energy: 0.517736542535012
Energy: 0.5315287553564959
Energy: 0.5302116827511303
Energy: 0.5173207549877863
Energy: 0.527873414592434
Energy: 0.3460017004783679
Energy: 0.5422281147119834
Energy: 0.3604015539013111
Energy: 0.34744507638100225
Energy: 0.5451651174180603
Energy: 0.3418037630804253
Energy: 0.3405030586934156
Energy: 0.5652063431901023
Energy: 0.5790380331171912
Energy: 0.3427386418907261
Energy: 0.5432560493916773
Energy: 0.3416254595312714
Energy: 0.5529798719515233
Energy: 0.5193227797657954
Energy: 0.5217609093013614
Energy: 0.5299665912478222
Energy: 0.5205750313487894
Energy: 0.5217610516316251
Energy: 1.0939062269305933
Energy: 0.5430892479783337
Energy: 0.5306038340766946
Energy: 0.521041085836019
Energy: 0.5441192524161776
Energy: 0.5305034706434478
Energy: 0.5878185331575816
Energy: 0.5104724042599568
Energy: 0.504068542165525
Energy: 0.5318489197435284
Energy: 0.5558279462972837
Energy: 0.5345349516874043
Energy: 0.5997014677973812
Energy: 0.341753596531989
Energy: 0.3449217318596394
Energy: 0.5736529553707541
Energy: 0.34198884327252993
Energy: 0.35671186553883355
Energy: 0.5642003689556452
Energy: 0.5272837948245047
Energy: 0.5295753410127397
Energy: 0.4960647611973145
Energy: 0.34157160643112383
Energy: 0.49725510427078456
Energy: 0.5625843125279625
Energy: 0.5600768314494804
Energy: 0.5232233684853613
Energy: 0.5434263977764706
Energy: 0.5536549197334999
Energy: 0.5224354186994639
Energy: 0.5977004981941144
Energy: 0.5167355894481244
Energy: 0.5141260748072305
Energy: 0.526560234092206
Energy: 0.513499763098239
Energy: 0.5139462237959886
Energy: 0.4366060799411497
Energy: 0.5602503923761273
Energy: 0.5326129890051331
Energy: 0.42957093914453687
Energy: 0.5773978597989952
Energy: 0.5723427573384554

minimum gb energy = 0.3405030586934156 eV
minimum distance =  2.59386383634817 Angstroms
sigma value = 11


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

Energy: 0.8709690781965728
Energy: 0.8569863682375936
Energy: 0.7242398476581076
Energy: 0.6846627624231051
Energy: 0.8492599182537534
Energy: 0.7074160136927106
Energy: 0.5963402738357118
Energy: 0.540959431787925
Energy: 0.5392911609204873
Energy: 0.5035959755270988
Energy: 0.5366299422869565
Energy: 0.5390035328518378
Energy: 0.5248904597087763
Energy: 0.5219225712555288
Energy: 0.5224530087783954
Energy: 0.5248361926176883
Energy: 0.5250817166950096
Energy: 0.531180145597109
Energy: 0.526137833063816
Energy: 0.5339777128336329
Energy: 0.5132651768577736
Energy: 0.5293311545634206
Energy: 0.5311776030636212
Energy: 0.5249551578434823
Energy: 0.5526997621029603
Energy: 0.5216769394882887
Energy: 0.5174185655158482
Energy: 0.5430849007522166
Energy: 0.5454337055148926
Energy: 0.5288776100584586
Energy: 0.5876281621574849
Energy: 0.6804649718263487
Energy: 0.6827572483689104
Energy: 0.5513412365518015
Energy: 0.6703035078400038
Energy: 0.5898560775541041
Energy: 0.6239805924165036
Energy: 0.5596809363947655
Energy: 0.534159801233409
Energy: 0.5368960055143479
Energy: 0.553947810939636
Energy: 0.539099912464996
Energy: 0.5380444635623844
Energy: 0.5274653764451668
Energy: 0.5395674229382443
Energy: 0.5423018465341475
Energy: 0.525643851822717
Energy: 0.5557940222488695
Energy: 0.6311506345753951
Energy: 0.5345199586223427
Energy: 0.5330350959783827
Energy: 0.5364085687836088
Energy: 0.5428351261566552
Energy: 0.5350458808659629
Energy: 0.7533793483820701
Energy: 0.5374938070482077
Energy: 0.5231338705057889
Energy: 0.6388766082442242
Energy: 0.5488209307081225
Energy: 0.6626687402533822
Energy: 0.7552200536518368
Energy: 0.5239828123451105
Energy: 0.5253309993449982
Energy: 0.5475409964180565
Energy: 0.5192472179010663
Energy: 0.5226602292825211
Energy: 0.6512280414339024
Energy: 0.5594622205548258
Energy: 0.5508268000893228
Energy: 0.535659268172461
Energy: 0.5606393147498869
Energy: 0.5361403486304289
Energy: 0.5728443597388815
Energy: 0.5872443819937542
Energy: 0.5867275956659816
Energy: 0.5747233098826334
Energy: 0.6104267581811907
Energy: 0.5390050795531819
Energy: 0.5666081443241899
Energy: 0.5046265568471849
Energy: 0.5588315387706443
Energy: 0.5621600359447986
Energy: 0.5182890224177829
Energy: 0.5319062128987779
Energy: 0.6998054506506708
Energy: 0.6416470446903342
Energy: 0.6326892667838269
Energy: 0.7009486592953689
Energy: 0.6453247100524704
Energy: 0.6996013363172144
Energy: 0.7434219587810826
Energy: 0.5273971503239336
Energy: 0.5527125915084703
Energy: 0.5437259862264961
Energy: 0.5610228086700868
Energy: 0.5246808180221196
Energy: 0.6644840273449915
Energy: 0.6085030727327961
Energy: 0.6432155825645097
Energy: 0.6110846026695095
Energy: 0.6729338642652108
Energy: 0.6692391661451175
Energy: 0.7570110652274992
Energy: 0.5277917469354123
Energy: 0.5217961512566432
Energy: 0.5464462146956085
Energy: 0.5616032618926107
Energy: 0.5095745219022179
Energy: 0.7217866027329531
Energy: 0.5270866572800141
Energy: 0.528928622719065
Energy: 0.5332356276775285
Energy: 0.5732979997392585
Energy: 0.5289900181031346
Energy: 0.6025860563540589
Energy: 0.5890877799977465
Energy: 0.5934028758637366
Energy: 0.5785619345665545
Energy: 0.5899795689020444
Energy: 0.6294567071071141
Energy: 0.7289341497852074
Energy: 0.5476162404692633
Energy: 0.5325774224220987
Energy: 0.5723054660247818
Energy: 0.5374552450595881
Energy: 0.5127661488904323
Energy: 0.7865584609773743
Energy: 0.6327175542029425
Energy: 0.6833032205237182
Energy: 0.8078141126969202
Energy: 0.6203753739840644
Energy: 0.6549064091630334
Energy: 0.545967169292266
Energy: 0.5339623159920929
Energy: 0.5294815814705665
Energy: 0.5439983289523843
Energy: 0.5191049075488087
Energy: 0.5315106199853759
Energy: 0.5284364237134171
Energy: 0.5586278998340265
Energy: 0.561566856265867
Energy: 0.5318507008554516
Energy: 0.5750242449305015
Energy: 0.5349653631708933
Energy: 0.5274821813382918
Energy: 0.5756479942992802
Energy: 0.5743070340989503
Energy: 0.5425499121269616
Energy: 0.5772558191429509
Energy: 0.5683708153523668
Energy: 0.7452859673075175
Energy: 0.53714766931582
Energy: 0.5490279522477215
Energy: 0.5452742712530939
Energy: 0.5856411626637225
Energy: 0.5227128670290553

minimum gb energy = 0.5035959755270988 eV
minimum distance =  2.54049602860838 Angstroms
sigma value = 41


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

Energy: 0.8444079201845914
Energy: 0.7082643525318848
Energy: 0.7090984890667411
Energy: 0.6328425158573505
Energy: 0.8143521039435065
Energy: 0.6186308287141815
Energy: 0.6615109157062748
Energy: 0.5566795285336309
Energy: 0.5568064742311214
Energy: 0.5364628804635807
Energy: 0.5612449288107318
Energy: 0.5400649915291812
Energy: 0.5580390745934306
Energy: 0.5449490838907843
Energy: 0.5420195688891248
Energy: 0.544764025454622
Energy: 0.5567763007743166
Energy: 0.5632588886646875
Energy: 0.5625580954864252
Energy: 0.5444960434740604
Energy: 0.5404659803036352
Energy: 0.5543680568849717
Energy: 0.5456023783196204
Energy: 0.5496339682382747
Energy: 0.5942196494376091
Energy: 0.550361783707478
Energy: 0.5494698636944172
Energy: 0.5913672233699959
Energy: 0.5434323762367355
Energy: 0.5171981223782317
Energy: 0.7338424680671042
Energy: 0.6934457310303084
Energy: 0.6927884660795628
Energy: 0.5656819967027977
Energy: 0.6853877641784097
Energy: 0.6724113962293032
Energy: 0.6999056460983208
Energy: 0.560918988208307
Energy: 0.5230754202605064
Energy: 0.5618436562875825
Energy: 0.5468702819375562
Energy: 0.5556912896438614
Energy: 0.5834912957909648
Energy: 0.5617872346489293
Energy: 0.5789977734778362
Energy: 0.5879834906843275
Energy: 0.5583681335079977
Energy: 0.5624441427851036
Energy: 0.7017351730638427
Energy: 0.5624789352397376
Energy: 0.5427759929899025
Energy: 0.5357881992132042
Energy: 0.5617328154790165
Energy: 0.5431295373350704
Energy: 0.6819967316094633
Energy: 0.5663235201273598
Energy: 0.5680442454641471
Energy: 0.6196685567290006
Energy: 0.6657031698487106
Energy: 0.5495966664345282
Energy: 0.6761318825303904
Energy: 0.5710109345234035
Energy: 0.5361017916890048
Energy: 0.613343791381635
Energy: 0.571353519652752
Energy: 0.5273608426999614
Energy: 0.7257380268588343
Energy: 0.5911795370942629
Energy: 0.5772465124259422
Energy: 0.5670557592345484
Energy: 0.622621547520614
Energy: 0.5524658887352185
Energy: 0.5827750941277469
Energy: 0.6288632194319461
Energy: 0.6231060281972112
Energy: 0.5810244810986536
Energy: 0.651677032138842
Energy: 0.6233012423194708
Energy: 0.555560101579262
Energy: 0.5357964961389696
Energy: 0.5430414143568267
Energy: 0.5518038969645679
Energy: 0.5348896571179581
Energy: 0.5425319345963061
Energy: 0.5628185008363563
Energy: 0.6556048187422738
Energy: 0.5906992802123835
Energy: 0.5651191634288102
Energy: 0.6617292980173821
Energy: 0.5742621725071742
Energy: 0.6324156826020749
Energy: 0.5637663868251713
Energy: 0.5275374000136683
Energy: 0.5416406435967547
Energy: 0.5671610000393265
Energy: 0.5401913099509434
Energy: 0.77917543495313
Energy: 0.7364683886662757
Energy: 0.7325464588715844
Energy: 0.6473524415266784
Energy: 0.6634472200775723
Energy: 0.6373263740357595
Energy: 0.5931583989558131
Energy: 0.5565160491662884
Energy: 0.5594389833959345
Energy: 0.5655861968513659
Energy: 0.5601639629251134
Energy: 0.5088907392959138
Energy: 0.56117976458161
Energy: 0.5532924880345699
Energy: 0.5481493146145017
Energy: 0.5520200030985924
Energy: 0.558785155812626
Energy: 0.5500262286293014
Energy: 0.5605671719445932
Energy: 0.5569840448697158
Energy: 0.5553920204150035
Energy: 0.5607014516922202
Energy: 0.5551960427103377
Energy: 0.5615369719797861
Energy: 0.5808670914046211
Energy: 0.5257727912781612
Energy: 0.523321824343379
Energy: 0.5739739351320194
Energy: 0.5375702985364184
Energy: 0.5187095691015396
Energy: 0.760963603900012
Energy: 0.7353598189869964
Energy: 0.6971183155869113
Energy: 0.7609926280181355
Energy: 0.6782145228867552
Energy: 0.6831859396500665
Energy: 0.7213149372757882
Energy: 0.5425403819150884
Energy: 0.5572131640766014
Energy: 0.5627596937536672
Energy: 0.5531828317160918
Energy: 0.5358137733360774
Energy: 0.5838391522719226
Energy: 0.5790536226548669
Energy: 0.5788920428946829
Energy: 0.588290277850323
Energy: 0.5774562763002734
Energy: 0.5634716417563057
Energy: 0.6968780131129955
Energy: 0.5493083858307525
Energy: 0.5504529564004332
Energy: 0.5340674254803638
Energy: 0.5519245755394014
Energy: 0.5492675879873404
Energy: 0.684319926754333
Energy: 0.5683822917346809
Energy: 0.5550914593348529
Energy: 0.6138583068886369
Energy: 0.5668752225692965
Energy: 0.5206767217270425
Energy: 0.682253432644677
Energy: 0.5935992499664805
Energy: 0.5692255001226193
Energy: 0.619417800830586
Energy: 0.6728052939480303
Energy: 0.5515442064758036
Energy: 0.7717604618503776
Energy: 0.5228850701558738
Energy: 0.5517955291195814
Energy: 0.5407373341140906
Energy: 0.5095955594655063
Energy: 0.5267334043730008
Energy: 0.6884015643467003
Energy: 0.6394370374611364
Energy: 0.638968942351276
Energy: 0.5838058280423503
Energy: 0.6400763054650446
Energy: 0.6170256826465207
Energy: 0.5696343754485322
Energy: 0.525221863807751
Energy: 0.544127572221418
Energy: 0.5676908456635318
Energy: 0.5424030136760234
Energy: 0.5438748210442997
Energy: 0.5584745384846882
Energy: 0.5970046126638061
Energy: 0.5966025324063573
Energy: 0.5587868780171606
Energy: 0.621950898598997
Energy: 0.5866204471326772
Energy: 0.5684463548434839
Energy: 0.5483658186709706
Energy: 0.5489742265061747
Energy: 0.5655611697826436
Energy: 0.551266112568267
Energy: 0.5524449992816624
Energy: 0.7759494458710001
Energy: 0.5404392577768514
Energy: 0.5358821746515404
Energy: 0.645332339785174
Energy: 0.591471066727701
Energy: 0.5214628167475459

minimum gb energy = 0.5088907392959138 eV
minimum distance =  2.56735888779394 Angstroms
sigma value = 33


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

Energy: 0.6925202894615461
Energy: 0.6784212799485794
Energy: 0.6716217973249491
Energy: 0.6818612037818425
Energy: 0.7708627860036233
Energy: 0.6725772328264434
Energy: 0.8281270954178533
Energy: 0.5299221037188033
Energy: 0.5287071332002844
Energy: 0.5215560499543024
Energy: 0.5400706149277472
Energy: 0.5292379066589592
Energy: 0.5986230516299432
Energy: 0.5580320775741017
Energy: 0.5716931669335598
Energy: 0.5861041951177463
Energy: 0.5818419405710344
Energy: 0.5818722773671724
Energy: 0.5905803787515151
Energy: 0.5282576527308857
Energy: 0.52662443134515
Energy: 0.5710288408966763
Energy: 0.5297813788839177
Energy: 0.5681681718275241
Energy: 0.7428686057066882
Energy: 0.6816467154428778
Energy: 0.5223538615046285
Energy: 0.7436179503669312
Energy: 0.629098396973384
Energy: 0.5318459937813587
Energy: 0.7183747272729131
Energy: 0.6838855906101704
Energy: 0.6416152676716249
Energy: 0.6208780509929872
Energy: 0.6977700699014843
Energy: 0.6151775629494889
Energy: 0.7624706037991013
Energy: 0.5375119642779919
Energy: 0.5432300378096235
Energy: 0.5692187162519373
Energy: 0.5239547494244394
Energy: 0.5602704110239337
Energy: 0.6340586132942089
Energy: 0.6106614014782931
Energy: 0.55096720842378
Energy: 0.6382126217314789
Energy: 0.6090902934366735
Energy: 0.5396053285657695
Energy: 0.6602809788121442
Energy: 0.5210835681564219
Energy: 0.5223657258776332
Energy: 0.5204610703470167
Energy: 0.5212904989623357
Energy: 0.5235935257761578
Energy: 0.7650097325383537
Energy: 0.6164803673959492
Energy: 0.6092627145444663
Energy: 0.701782299333409
Energy: 0.6169850139769711
Energy: 0.6079066140092427
Energy: 0.7643136282878537
Energy: 0.5413112580660476
Energy: 0.5285773246935244
Energy: 0.5709667163521622
Energy: 0.5268828397382274
Energy: 0.5718079543463127
Energy: 0.6489728331639901
Energy: 0.5178593798019063
Energy: 0.5204164966950849
Energy: 0.6609231917066397
Energy: 0.6105006727621141
Energy: 0.520010591194074
Energy: 0.654959053034417
Energy: 0.7642585943449404
Energy: 0.5997399196929183
Energy: 0.6543866115728867
Energy: 0.6673565299465989
Energy: 0.6694510021210531
Energy: 0.594914408997138
Energy: 0.5446296884028436
Energy: 0.5263764576157983
Energy: 0.5708901993724975
Energy: 0.5385571864889604
Energy: 0.5615859189475253
Energy: 0.5392401800827862
Energy: 0.5658276619679565
Energy: 0.5548417656826393
Energy: 0.5893483056379447
Energy: 0.5908202456378049
Energy: 0.554560593197331
Energy: 0.5968549278576482
Energy: 0.5669119810767494
Energy: 0.562694973753447
Energy: 0.546286604276794
Energy: 0.5669139185601436
Energy: 0.5596754366323121
Energy: 0.7631334690465852
Energy: 0.620778267181661
Energy: 0.5954130353085425
Energy: 0.6980290651793447
Energy: 0.6196006001521216
Energy: 0.6040332714703612
Energy: 0.7639526918992375
Energy: 0.5220957015875701
Energy: 0.5215065410402724
Energy: 0.6938411786950548
Energy: 0.5398336330076623
Energy: 0.5256744947522418
Energy: 0.6725690629066557
Energy: 0.6117959762898864
Energy: 0.6078495585670363
Energy: 0.5635965251210078
Energy: 0.6137589947988715
Energy: 0.5269962114666866
Energy: 0.5744588661841266
Energy: 0.6118864488767594
Energy: 0.6075289842904017
Energy: 0.5703197250784139
Energy: 0.6058377329146212
Energy: 0.5290135140123494
Energy: 0.5362628979079795
Energy: 0.520868897375298
Energy: 0.5222440839575935
Energy: 0.5321701086268501
Energy: 0.5379587818753961
Energy: 0.5224640170670842
Energy: 0.6107940500467767
Energy: 0.6121931466722926
Energy: 0.6069635393452854
Energy: 0.6122815965856472
Energy: 0.6700605323147947
Energy: 0.6066501013344953
Energy: 0.6702842258173449
Energy: 0.5284610894774461
Energy: 0.5273781174388906
Energy: 0.5301998875393378
Energy: 0.5717763706456116
Energy: 0.5235643158441792
Energy: 0.6943581877999006
Energy: 0.6611078074540636
Energy: 0.6699792181061929
Energy: 0.6708921916806988
Energy: 0.6594958079593074
Energy: 0.6705823301165058
Energy: 0.8183786724442915
Energy: 0.5311740209440176
Energy: 0.5304791837237677
Energy: 0.5182756695390758
Energy: 0.5785277371288734
Energy: 0.5317050235456997
Energy: 0.5973579652797205
Energy: 0.5695032364594225
Energy: 0.5695302465110865
Energy: 0.577379605793387
Energy: 0.5711203682362646
Energy: 0.5594681195655972
Energy: 0.5936064568254249
Energy: 0.5629237376583476
Energy: 0.5281149940785189
Energy: 0.5843593314233912
Energy: 0.565050625338147
Energy: 0.5694870286144149
Energy: 0.7439482050825577
Energy: 0.52193400755317
Energy: 0.529845966331553
Energy: 0.568886648161731
Energy: 0.5933592847305155
Energy: 0.5297722398330414
Energy: 0.7866502972456884
Energy: 0.6994547798972475
Energy: 0.607175737480388
Energy: 0.7813158401573521
Energy: 0.6973425451807874
Energy: 0.6069174560360151
Energy: 0.7159516221333098
Energy: 0.5228683334679758
Energy: 0.5584449608821493
Energy: 0.5667005599765923
Energy: 0.5354422951223047
Energy: 0.5608209141049625
Energy: 0.6338652843657273
Energy: 0.6098305297996103
Energy: 0.5505791317452772
Energy: 0.6377644593699594
Energy: 0.6151192890624582
Energy: 0.575725030366901
Energy: 0.71660277984174
Energy: 0.522117959733908
Energy: 0.5242821519736964
Energy: 0.5923037105114958
Energy: 0.5217326331449591
Energy: 0.5221981508863608
Energy: 0.7670971063265521
Energy: 0.6012045946210567
Energy: 0.5350795636159006
Energy: 0.5783257042760849
Energy: 0.6007970106008981
Energy: 0.5223597345756106
Energy: 0.7666776088191055
Energy: 0.596242099851293
Energy: 0.5261332452030755
Energy: 0.6941407928954563
Energy: 0.594255727855101
Energy: 0.5782564339724268
Energy: 0.6469988992705248
Energy: 0.5203853525336314
Energy: 0.5300238528825684
Energy: 0.5994058369587815
Energy: 0.5183201260653822
Energy: 0.5300071346377464
Energy: 0.6553951649406907
Energy: 0.6649442355400529
Energy: 0.6655949102519958
Energy: 0.6554230124531196
Energy: 0.6641013065208602
Energy: 0.6700325438326105
Energy: 0.6024527213696738
Energy: 0.5279930736124078
Energy: 0.5259180167187917
Energy: 0.584063421405784
Energy: 0.5458017071254296
Energy: 0.5257972338980267
Energy: 0.5433684115075689
Energy: 0.564701543318938
Energy: 0.5547813931368645
Energy: 0.536283909016149
Energy: 0.5888003233248159
Energy: 0.5543483156563488
Energy: 0.5946201611457288
Energy: 0.5657992217004055
Energy: 0.5612470245981579
Energy: 0.5449874049205259
Energy: 0.5730715859697694
Energy: 0.5595440842765973
Energy: 0.7691346100207624
Energy: 0.6202834229918002
Energy: 0.5755036679985184
Energy: 0.6974647411759253
Energy: 0.6193903364679838
Energy: 0.6754446366280055
Energy: 0.7629104126567645
Energy: 0.5243371806102112
Energy: 0.5209476509871745
Energy: 0.6223924672782363
Energy: 0.7629133975936899
Energy: 0.5268147439937989
Energy: 0.6731894913683122
Energy: 0.6123091523340483
Energy: 0.6078984155001811
Energy: 0.5616411832044965
Energy: 0.6140492849474218
Energy: 0.5663821027827715
Energy: 0.5786837232555734
Energy: 0.612493860101373
Energy: 0.6092213740702054
Energy: 0.5749208914640612
Energy: 0.6176010497363735
Energy: 0.5264740738404446
Energy: 0.5461557667424445
Energy: 0.5206015359285767
Energy: 0.522020289143444
Energy: 0.5330698659167278
Energy: 0.5299967006882536
Energy: 0.523004404159488
Energy: 0.6059421237893102
Energy: 0.6108592569597384
Energy: 0.6076410538730205
Energy: 0.6075098756736016
Energy: 0.6704367424382786
Energy: 0.6062582290495268
Energy: 0.6692656776744328
Energy: 0.5627459350889892
Energy: 0.5260820170811877
Energy: 0.5690807278133806
Energy: 0.5719544940327411
Energy: 0.5220800294339656
Energy: 0.8901152995947829
Energy: 0.7544926890349776
Energy: 0.6700617440925889
Energy: 0.6693530030611436
Energy: 0.6510040222732015
Energy: 0.6733333409123456

minimum gb energy = 0.5178593798019063 eV
minimum distance =  2.61992202109015 Angstroms
sigma value = 67


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

Energy: 0.7030085567074824
Energy: 0.5276695767863607
Energy: 0.4132257005041559
Energy: 0.7081795740830832
Energy: 0.660374116213821
Energy: 0.4121167708732871
Energy: 0.743011891982935
Energy: 0.3930021486741733
Energy: 0.3917771572215472
Energy: 0.391307756995624
Energy: 0.3910278316836017
Energy: 0.39161188982562806
Energy: 0.5444614154372466
Energy: 0.37009558830054706
Energy: 0.3917049553901913
Energy: 0.3931889490058141
Energy: 0.36956695821954877
Energy: 0.39195991765931204
Energy: 0.5431244427712888
Energy: 0.39303787532752243
Energy: 0.39450998831676437
Energy: 0.3945567245633523
Energy: 0.3922104814152599
Energy: 0.3959761971272353
Energy: 0.5631626065378712
Energy: 0.39230733416880026
Energy: 0.39639497102374693
Energy: 0.5507488866334579
Energy: 0.3918530805027688
Energy: 0.39244914479338955
Energy: 0.5871160106212737
Energy: 0.3881597580982728
Energy: 0.3922590221145882
Energy: 0.5869812166437864
Energy: 0.3878341561789346
Energy: 0.589122966463035
Energy: 0.7433756581027747
Energy: 0.39325238811632857
Energy: 0.39305209573045574
Energy: 0.36983331932455815
Energy: 0.390760530514251
Energy: 0.3943357900823942

minimum gb energy = 0.36956695821954877 eV
minimum distance =  2.70366581293449 Angstroms
sigma value = 3


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

Energy: 0.8458624087431654
Energy: 0.840523144463628
Energy: 0.6700609343052385
Energy: 0.49117704144655716
Energy: 0.8643662222707207
Energy: 0.7279635683350147
Energy: 0.49783146123697775
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Energy: 0.548749588693119
Energy: 0.5352463227122821
Energy: 0.5505921651423348
Energy: 0.508231407824313
Energy: 0.6677747257173762
Energy: 0.5248932983643528
Energy: 0.6399982679021183
Energy: 0.669305179925385
Energy: 0.5246677110092353
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Energy: 0.47214252834075604
Energy: 0.4978895208505213
Energy: 0.4986411685625541
Energy: 0.47329195629968696
Energy: 0.5248329232682267
Energy: 0.4692249035831393
Energy: 0.48266488439246114
Energy: 0.5446967345671472
Energy: 0.55973908879316
Energy: 0.4815367497295482
Energy: 0.5338794874855871
Energy: 0.4765277049839457
Energy: 0.6310560711721449
Energy: 0.5370996994680447
Energy: 0.5543987633370199
Energy: 0.6479725462927914
Energy: 0.5639035081750936
Energy: 0.586141378105174
Energy: 0.4969599995558891
Energy: 0.5701442094696797
Energy: 0.5358662250840217
Energy: 0.5214164001954479
Energy: 0.5594317825781249
Energy: 0.5371994654188895
Energy: 0.7892848656108102
Energy: 0.7816199838707445
Energy: 0.7063527922958487
Energy: 0.496700686448413
Energy: 0.7851907236463098
Energy: 0.7013532301835278
Energy: 0.5045831297356144
Energy: 0.565607581391741
Energy: 0.53300439484785
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Energy: 0.50669681210041
Energy: 0.5354861657621894
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Energy: 0.6005866314721635
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Energy: 0.4663364578657079
Energy: 0.6930269677014081
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Energy: 0.5725951332067599
Energy: 0.5575580310352238
Energy: 0.5605455696942495
Energy: 0.5575688669777931
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Energy: 0.5493389595673481
Energy: 0.5814170743581862
Energy: 0.4764728263670276
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Energy: 0.604230937905247
Energy: 0.48554270272653266
Energy: 0.5392417189248015
Energy: 0.5757230795986984
Energy: 0.4718176552476148
Energy: 0.46711698462485196
Energy: 0.5546439773946519
Energy: 0.46821651380982326
Energy: 0.4693500875619663
Energy: 0.6903988247530373
Energy: 0.5638960321365537
Energy: 0.6192312942636982
Energy: 0.6397918415839149
Energy: 0.5644350874462192
Energy: 0.5926826269415302
Energy: 0.5712542870647954
Energy: 0.501219566643412
Energy: 0.500846660341711
Energy: 0.5720065058078134
Energy: 0.5464713417654075
Energy: 0.5014531147960084
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Energy: 0.6198563324095241
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Energy: 0.5572742348502013
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Energy: 0.5389587259424817
Energy: 0.5149938353733966
Energy: 0.6080723205179199
Energy: 0.6143866041432249
Energy: 0.5435152783306928
Energy: 0.5689265244989544
Energy: 0.5385592382611033
Energy: 0.5339562793423104
Energy: 0.5418509238422513
Energy: 0.6442682137713757
Energy: 0.5213334905034422
Energy: 0.5669862384092919
Energy: 0.5164136775442034
Energy: 0.5109725508446281
Energy: 0.5420950421583554
Energy: 0.5175528861501527
Energy: 0.46673592078836257
Energy: 0.5328483606276715
Energy: 0.512489538978807
Energy: 0.5130677945819901
Energy: 0.5148729082737934
Energy: 0.49979297707236536
Energy: 0.5204740858246382
Energy: 0.6076075548381936
Energy: 0.650138827955202
Energy: 0.6365888030804077
Energy: 0.5852970543500594
Energy: 0.6419077124517252
Energy: 0.6296731652541618
Energy: 0.5104798917568129
Energy: 0.5539865265722367
Energy: 0.5022030710047884
Energy: 0.5115338124465095
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Energy: 0.5066921019632282
Energy: 0.5492881821753569
Energy: 0.5735561190150261
Energy: 0.677050578450658
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Energy: 0.548278801382262
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Energy: 0.5011028558229563
Energy: 0.4984661379090619
Energy: 0.5614938762443699
Energy: 0.5569925033470349
Energy: 0.5010019375496781
Energy: 0.6977161086158553
Energy: 0.6616983448309453
Energy: 0.6713389935629678
Energy: 0.5239838316863688
Energy: 0.6694360080011803
Energy: 0.6256277976653788
Energy: 0.47203774032981677
Energy: 0.6692455157852238
Energy: 0.6712274380105988
Energy: 0.5234374986665228
Energy: 0.6602710413442757
Energy: 0.6001058294820303
Energy: 0.6549827052035827
Energy: 0.4978155301450759
Energy: 0.49744113591064937
Energy: 0.5609631736824798
Energy: 0.5516374520081265
Energy: 0.5019591514383854
Energy: 0.46897228464771706
Energy: 0.5248863216025573
Energy: 0.4991109086898242
Energy: 0.4690321405012173
Energy: 0.5251697858223845
Energy: 0.4700326731513969
Energy: 0.46558116200142863
Energy: 0.5355608355810841
Energy: 0.46495299132679657
Energy: 0.4668128591335103
Energy: 0.5524781932244651
Energy: 0.46559849334305514
Energy: 0.5344933792980515
Energy: 0.6588717331642526
Energy: 0.6675831497595673
Energy: 0.4793280126670503
Energy: 0.6627102200825802
Energy: 0.6560283816519746
Energy: 0.5117909118034376
Energy: 0.5366289117423116
Energy: 0.5342853657785823
Energy: 0.6042914023793154
Energy: 0.5500294524218485
Energy: 0.5368234931441835
Energy: 0.7719539233297869
Energy: 0.5690855471903362
Energy: 0.6167620907157898
Energy: 0.5035235498603557
Energy: 0.6126525613517765
Energy: 0.5879757057873509
Energy: 0.5257458644321356
Energy: 0.5592786318450298
Energy: 0.5577206646419582
Energy: 0.5344746455121401
Energy: 0.6090535932715986
Energy: 0.5503965447336295
Energy: 0.550159405562663
Energy: 0.524429548827466
Energy: 0.5362310730119803
Energy: 0.5554550730805854
Energy: 0.5589649590417647
Energy: 0.5474697553000052
Energy: 0.6932942209893931
Energy: 0.46629248339171075
Energy: 0.49940802362704495
Energy: 0.6935585119005376
Energy: 0.46635224853853935
Energy: 0.6655260975039923
Energy: 0.5753450358027491
Energy: 0.5650073297706294
Energy: 0.5362241395944358
Energy: 0.5663044608641687
Energy: 0.5740314643895059
Energy: 0.5350278177485904
Energy: 0.6601357252648475
Energy: 0.6272662756797556
Energy: 0.6658745142579335
Energy: 0.6326712048871753
Energy: 0.5376048605698082
Energy: 0.6626770367913569
Energy: 0.5775607869634849
Energy: 0.47195222623302263
Energy: 0.46568437824281
Energy: 0.555886415756751
Energy: 0.46929121678474534
Energy: 0.47113821153542607
Energy: 0.679907617537537
Energy: 0.4690196107270838
Energy: 0.46949033439081367
Energy: 0.5578122117484781
Energy: 0.46853413204128047
Energy: 0.49768621646954014
Energy: 0.5673195977845348
Energy: 0.5286596722526675
Energy: 0.5317932136690108
Energy: 0.5567364099832848
Energy: 0.534745706578938
Energy: 0.497659434078035
Energy: 0.6349157069596149
Energy: 0.5400479853489949
Energy: 0.549351343372072
Energy: 0.6349490344137643
Energy: 0.5057453307639754
Energy: 0.5508724398923582
Energy: 0.7938395240352794
Energy: 0.5721121456080228
Energy: 0.6495108824203182
Energy: 0.7945268749405787
Energy: 0.5336855882648597
Energy: 0.7385376352994375
Energy: 0.5278151590026123
Energy: 0.5270685169517606
Energy: 0.5137263288152353
Energy: 0.5539459184434123
Energy: 0.5387724560911165
Energy: 0.4989632222932953
Energy: 0.7358911296997309
Energy: 0.5500811615345977
Energy: 0.6127758879385024
Energy: 0.59512359281423
Energy: 0.5499119974673718
Energy: 0.6919937193290712
Energy: 0.5256182700188037
Energy: 0.5138317591665168
Energy: 0.5038016975785876
Energy: 0.5729403037301924
Energy: 0.5125893610457833
Energy: 0.4999508156979025
Energy: 0.6357087032222242
Energy: 0.5105010680409037
Energy: 0.5955666103818995
Energy: 0.638852975690841
Energy: 0.5942658619779614
Energy: 0.5972025653104864
Energy: 0.5327678793756314
Energy: 0.5877967586943905
Energy: 0.5686430650917114
Energy: 0.5334950337114543
Energy: 0.5753919595661812
Energy: 0.5209578579610898
Energy: 0.5148642614691387
Energy: 0.49797975282939655
Energy: 0.5097845488230247
Energy: 0.5159592566298152
Energy: 0.5035152805939103
Energy: 0.5100706610344208
Energy: 0.6727371440441448
Energy: 0.49759706502470374
Energy: 0.524553829638555
Energy: 0.6769558604559133
Energy: 0.5032115864870339
Energy: 0.5027101237021039
Energy: 0.5261382224928761
Energy: 0.5773058258811192
Energy: 0.5558413376064095
Energy: 0.5722562740892674
Energy: 0.5182636382432335
Energy: 0.5090584758606665

minimum gb energy = 0.46495299132679657 eV
minimum distance =  2.61222171119923 Angstroms
sigma value = 81


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

Energy: 0.927891876012358
Energy: 0.5738943648203726
Energy: 0.567253083928803
Energy: 0.5364226623026772
Energy: 0.6815855706693829
Energy: 0.7355603518992394
Energy: 0.5019897453015674
Energy: 0.5877598490627437
Energy: 0.5693210529334024
Energy: 0.5275190565264429
Energy: 0.5494052564923337
Energy: 0.5492914858639962
Energy: 0.6663876962761313
Energy: 0.6031346656931004
Energy: 0.633201120725481
Energy: 0.6036734130520958
Energy: 0.6058595134296402
Energy: 0.58251134070337
Energy: 0.5289745836693308
Energy: 0.5330744134520453
Energy: 0.576065496306399
Energy: 0.5268677384023683
Energy: 0.5343450063987436
Energy: 0.5299223008933509
Energy: 0.5303312315701971
Energy: 0.5590498978299544
Energy: 0.55908567605902
Energy: 0.532974450730478
Energy: 0.5642743870340312
Energy: 0.5577157884719101
Energy: 0.6940636497458886
Energy: 0.5644087785605197
Energy: 0.6385083831897322
Energy: 0.677135185031755
Energy: 0.5622921220684757
Energy: 0.6819179943552371
Energy: 0.5546130475324552
Energy: 0.5726891448307229
Energy: 0.5929087558445704
Energy: 0.5255841381631705
Energy: 0.54036265628319
Energy: 0.5399242675730086
Energy: 0.7747469534353125
Energy: 0.8517527949057764
Energy: 0.8727693476018075
Energy: 0.5648100052373441
Energy: 0.8402999026586863
Energy: 0.5564290091709146
Energy: 0.5481462840400599
Energy: 0.5872813973283345
Energy: 0.5910724342513699
Energy: 0.5354623520852486
Energy: 0.5577353909990782
Energy: 0.5498365057964544
Energy: 0.5784177235410195
Energy: 0.475562291546782
Energy: 0.5944804869550127
Energy: 0.5724301850390623
Energy: 0.4765805788130485
Energy: 0.6217390511642071
Energy: 0.5559922463642815
Energy: 0.4755223137234589
Energy: 0.4754858644813332
Energy: 0.5659978753096414
Energy: 0.475343123608872
Energy: 0.5469644934956586
Energy: 0.5885409421699832
Energy: 0.6079179762698272
Energy: 0.5988568821882849
Energy: 0.528952585446172
Energy: 0.5955571841904327
Energy: 0.5923675401906688
Energy: 0.6187514140148777
Energy: 0.5101339962029556
Energy: 0.5088706385324213
Energy: 0.606551740495545
Energy: 0.5996017180368551
Energy: 0.5996328594693755
Energy: 0.5678773160090219
Energy: 0.5358733912662662
Energy: 0.5368219093290771
Energy: 0.5571055752763494
Energy: 0.5314847508468535
Energy: 0.5359443623189121
Energy: 0.7343744175704362
Energy: 0.5924058064238519
Energy: 0.6861006244733213
Energy: 0.5348656528206325
Energy: 0.731395080931373
Energy: 0.7201764485250546
Energy: 0.5520354396151246
Energy: 0.5449422951647994
Energy: 0.5453875913177096
Energy: 0.5506347590750021
Energy: 0.5405657385266824
Energy: 0.5486045045244836
Energy: 0.7912849772507644
Energy: 0.5313530833406602
Energy: 0.6582983791928632
Energy: 0.5639701359963348
Energy: 0.5311484477500966
Energy: 0.6635461212168434
Energy: 0.5021688455748375
Energy: 0.5359943431898258
Energy: 0.5661777972212374
Energy: 0.5483090998980203
Energy: 0.5430302309351827
Energy: 0.6238952326509629
Energy: 0.451733572527147
Energy: 0.5561196784869683
Energy: 0.4739163416269032
Energy: 0.4509003958824838
Energy: 0.5586070461571585
Energy: 0.5700458715828453
Energy: 0.452485407818632
Energy: 0.5564591920898362
Energy: 0.503238860808631
Energy: 0.4507708722239559
Energy: 0.5586328569446831
Energy: 0.5032346953651567
Energy: 0.5579612294947891
Energy: 0.5484277627982685
Energy: 0.5576496223768873
Energy: 0.5492765375544698
Energy: 0.5452936975673199
Energy: 0.5991709512662625
Energy: 0.6454478276612268
Energy: 0.6543253705658798
Energy: 0.6433722479067755
Energy: 0.6478890561583074
Energy: 0.6176405337921111
Energy: 0.6477181416340025
Energy: 0.5527265996257025
Energy: 0.6103721935720686
Energy: 0.5418415516998097
Energy: 0.5536246234837846
Energy: 0.5401712551333135
Energy: 0.5395953285368997
Energy: 0.5476405104791467
Energy: 0.6911822234256585
Energy: 0.683837528250889
Energy: 0.5499484834109639
Energy: 0.5396564836614952
Energy: 0.5403599856730019
Energy: 0.5604117174888904
Energy: 0.5405652892497855
Energy: 0.5436062081602134
Energy: 0.554920373502116
Energy: 0.5345959172850443
Energy: 0.5436622800129753
Energy: 0.7405141975871328
Energy: 0.5326376634183742
Energy: 0.5318725329260969
Energy: 0.5319375271391985
Energy: 0.5972731156979803
Energy: 0.5937189889275692
Energy: 0.5620342766162918
Energy: 0.5812966960284065
Energy: 0.5988838289314462
Energy: 0.5316603827046911
Energy: 0.5973548077405088
Energy: 0.6053685095144448
Energy: 0.5593778235872763
Energy: 0.4755158522384601
Energy: 0.5580709681418389
Energy: 0.5687294563932366
Energy: 0.49229584145777816
Energy: 0.547045059238851
Energy: 0.5534733644837517
Energy: 0.5502973743339465
Energy: 0.47675498725234317
Energy: 0.5509896224152362
Energy: 0.47625813493489216
Energy: 0.512812880796815
Energy: 0.5526704326774304
Energy: 0.615505677262699
Energy: 0.5588703960484385
Energy: 0.5339007139387684
Energy: 0.5588115869259107
Energy: 0.5479110364814974
Energy: 0.617336612398474
Energy: 0.6346627917974313
Energy: 0.6681578230728749
Energy: 0.6079122515607404
Energy: 0.6300600479959848
Energy: 0.6352760656553396
Energy: 0.5544610665686474
Energy: 0.5305314541244136
Energy: 0.5221712618560566
Energy: 0.5212170421225623
Energy: 0.5340590024133711
Energy: 0.5317596654168094
Energy: 0.5402231623614615
Energy: 0.560233557860471
Energy: 0.5591070511952292
Energy: 0.5643633270206232
Energy: 0.5512679428169236
Energy: 0.5665257141398432
Energy: 0.5338411224107668
Energy: 0.5652930994308892
Energy: 0.5668663950181234
Energy: 0.550131493877202
Energy: 0.5707094530635173
Energy: 0.5660432677291183
Energy: 0.5829212803578269
Energy: 0.5239071469063865
Energy: 0.5460798621485307
Energy: 0.5814711993129841
Energy: 0.530724935068492
Energy: 0.5982616905261239
Energy: 0.8310510179623783
Energy: 0.5294985035038747
Energy: 0.5616612109908456
Energy: 0.8075420064298751
Energy: 0.5305164760566262
Energy: 0.7431238809088182
Energy: 0.613786888462982
Energy: 0.5413690316450501
Energy: 0.5380021660560431
Energy: 0.536832152740931
Energy: 0.5497387253596091
Energy: 0.5491417594074013
Energy: 0.9161812808919299
Energy: 0.5972393403732873
Energy: 0.6311085973537652
Energy: 0.5074129314509105
Energy: 0.600343592864843
Energy: 0.728727120652325

minimum gb energy = 0.4507708722239559 eV
minimum distance =  2.6089071742611 Angstroms
sigma value = 43


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

Energy: 0.9011921615225534
Energy: 0.8282875255170571
Energy: 0.7277974249066762
Energy: 0.5298689259698826
Energy: 0.8872757440486034
Energy: 0.7315425769634863
Energy: 0.4941777337481463
Energy: 0.5741613380349337
Energy: 0.5883500586819141
Energy: 0.5296162985862185
Energy: 0.5280437391985396
Energy: 0.4996304858792059
Energy: 0.6758397927738067
Energy: 0.4669469939028796
Energy: 0.5731666351260932
Energy: 0.6424655698533651
Energy: 0.4680784648024132
Energy: 0.5796005546035847
Energy: 0.48871819997848015
Energy: 0.4805870234928958
Energy: 0.487770701689786
Energy: 0.48751844514847154
Energy: 0.5864996405027604
Energy: 0.4864930326439791
Energy: 0.4879249854042136
Energy: 0.6004194234064759
Energy: 0.5963953123308119
Energy: 0.4888538691821556
Energy: 0.574533131728253
Energy: 0.5713024050231674
Energy: 0.5914034734818195
Energy: 0.5667703569024748
Energy: 0.5658961169668182
Energy: 0.6025112898736583
Energy: 0.4993305888782762
Energy: 0.5790106598963378
Energy: 0.5212667907029516
Energy: 0.48679257498157763
Energy: 0.4866605243321929
Energy: 0.5182067153510874
Energy: 0.4879293146295509
Energy: 0.48685037547262827
Energy: 0.7184999796791246
Energy: 0.5100503746715996
Energy: 0.7315301695222767
Energy: 0.6202209462025758
Energy: 0.5086331801129642
Energy: 0.7298565073839234
Energy: 0.5318048407823458
Energy: 0.5336633668343468
Energy: 0.5363509402987736
Energy: 0.531147701768584
Energy: 0.5354912836905508
Energy: 0.5372353991056926
Energy: 0.6004180395406484
Energy: 0.5874220991716312
Energy: 0.6360703835879871
Energy: 0.589868414013188
Energy: 0.527503471174449
Energy: 0.6240796381770559
Energy: 0.5430223485003154
Energy: 0.5693395058250464
Energy: 0.5815816549260155
Energy: 0.6453102584816762
Energy: 0.582230252878808
Energy: 0.5834269871770107
Energy: 0.5618552642210555
Energy: 0.5675310291840863
Energy: 0.5675297210571807
Energy: 0.5190013766634749
Energy: 0.5743330062287235
Energy: 0.5558546272305973
Energy: 0.7558346041524334
Energy: 0.4868206984111245
Energy: 0.5397302725128423
Energy: 0.48024008250291733
Energy: 0.5524238976975181
Energy: 0.5398656808388291
Energy: 0.5669143988245648
Energy: 0.5292430380882781
Energy: 0.5779099897787962
Energy: 0.513240266426287
Energy: 0.5267043746388809
Energy: 0.5747478140936867
Energy: 0.5655650866804607
Energy: 0.6626397192009477
Energy: 0.6618067380530085
Energy: 0.564557253056058
Energy: 0.625420656905128
Energy: 0.6483290405052781
Energy: 0.4672313158069613
Energy: 0.4671694063238218
Energy: 0.4667361239075751
Energy: 0.4680132282852511
Energy: 0.5566655001843449
Energy: 0.46660161397402145
Energy: 0.494996445954643
Energy: 0.6566529135622049
Energy: 0.6592756107115888
Energy: 0.4978312479054593
Energy: 0.601884089560269
Energy: 0.49667773870203336
Energy: 0.6173620530681001
Energy: 0.579569663162897
Energy: 0.5639162608810908
Energy: 0.6347257540777583
Energy: 0.5664612865381026
Energy: 0.5421767606799953
Energy: 0.5055983770025179
Energy: 0.5582964911826016
Energy: 0.5592115126117957
Energy: 0.4989039969383214
Energy: 0.5523367725719949
Energy: 0.5553621471117284
Energy: 0.5317248385750335
Energy: 0.6378776118263583
Energy: 0.6015235477340437
Energy: 0.4985416556696425
Energy: 0.6181402895693566
Energy: 0.6240503033030682
Energy: 0.5587076827209205
Energy: 0.5654192250318362
Energy: 0.587025581241504
Energy: 0.6113976730621641
Energy: 0.5814848660721811
Energy: 0.5630783379944774
Energy: 0.691229298766537
Energy: 0.7316492874604754
Energy: 0.744877909398922
Energy: 0.6908296140901394
Energy: 0.7258834316929063
Energy: 0.7282042614373926
Energy: 0.5601453452527956
Energy: 0.5607268266109166
Energy: 0.5679267436115526
Energy: 0.5651572698952941
Energy: 0.5604721655340928
Energy: 0.5677953507435827
Energy: 0.68070701712165
Energy: 0.6018326426488314
Energy: 0.6443523750224293
Energy: 0.5749794367332534
Energy: 0.6011618110327522
Energy: 0.6233939305364238
Energy: 0.5391738261207039
Energy: 0.4665641274561325
Energy: 0.466989965315117
Energy: 0.5630161313562838
Energy: 0.4666373047115362
Energy: 0.4671304513299112
Energy: 0.5685796223035903
Energy: 0.48130751187332654
Energy: 0.48101649246903927
Energy: 0.559823603047729
Energy: 0.466621326861674
Energy: 0.48252744169959566
Energy: 0.5315137963157867
Energy: 0.5954088511919527
Energy: 0.5905469570953302
Energy: 0.5574295927392351
Energy: 0.5742366740134154
Energy: 0.5790731996792903
Energy: 0.5359307238416817
Energy: 0.5445941954608858
Energy: 0.5446766284348218
Energy: 0.5361583127543957
Energy: 0.5752023483196744
Energy: 0.5252667888005593
Energy: 0.7610116743146513
Energy: 0.7264761983716138
Energy: 0.7263511111251003
Energy: 0.7621032744177847
Energy: 0.5236355162619916
Energy: 0.7180676182191249
Energy: 0.5478031303656733
Energy: 0.5765076040018506
Energy: 0.5646946723095767
Energy: 0.572250193163683
Energy: 0.541357290293186
Energy: 0.5439701309847862
Energy: 0.8727377505808219
Energy: 0.6806785953611757
Energy: 0.6422364211982878
Energy: 0.5045978064374935
Energy: 0.727638488352761
Energy: 0.7092724205009914

minimum gb energy = 0.4665641274561325 eV
minimum distance =  2.58830553691657 Angstroms
sigma value = 57


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

Energy: 0.6334844809317974
Energy: 0.5680424273216478
Energy: 0.7541393809495368
Energy: 0.6348002386511133
Energy: 0.7398359548994706
Energy: 0.7546334685786824
Energy: 0.507523821393979
Energy: 0.5609304749124878
Energy: 0.5603391775447883
Energy: 0.5355705250148992
Energy: 0.5595462048990255
Energy: 0.5895056369250673
Energy: 0.6452408364056532
Energy: 0.5057931629572266
Energy: 0.5066829185058502
Energy: 0.6470184142739139
Energy: 0.5882805476268591
Energy: 0.5046550950673294
Energy: 0.5136659724966991
Energy: 0.5555972626511686
Energy: 0.5047697260636961
Energy: 0.5144372641144649
Energy: 0.6096385078807809
Energy: 0.5020995555375979
Energy: 0.5072014039134598
Energy: 0.5570827768467186
Energy: 0.5250340358069435
Energy: 0.507363882067881
Energy: 0.5240527602536571
Energy: 0.5853369447565484
Energy: 0.6092897492662411
Energy: 0.5205825924383035
Energy: 0.5248824495115639
Energy: 0.6405862361928537
Energy: 0.5210912202628363
Energy: 0.4971545436073664
Energy: 0.5514368664548602
Energy: 0.503126933491543
Energy: 0.5010993218255628
Energy: 0.5517694896775027
Energy: 0.5022227956291465
Energy: 0.519579487488977
Energy: 0.6029804881931774
Energy: 0.6657904161690006
Energy: 0.6994402965464721
Energy: 0.6025569231279728
Energy: 0.6632674464323884
Energy: 0.6984843000510279
Energy: 0.5349808456975149
Energy: 0.5601917384238431
Energy: 0.5833372129971902
Energy: 0.5352880498404798
Energy: 0.5601141267422349
Energy: 0.592460220233687
Energy: 0.508873678026604
Energy: 0.7079866640436281
Energy: 0.6836469548583183
Energy: 0.5086753986508771
Energy: 0.5769958738318365
Energy: 0.6819345995698431
Energy: 0.6081040805246019
Energy: 0.5866363508825921
Energy: 0.5813174611336924
Energy: 0.5580438863928529
Energy: 0.5488618739363758
Energy: 0.5631854763657678
Energy: 0.5043659318064693
Energy: 0.5808667328983336
Energy: 0.5801983293364794
Energy: 0.505969610860394
Energy: 0.5633983095589982
Energy: 0.568166082676602
Energy: 0.5078078950010616
Energy: 0.5626280285537003
Energy: 0.6376143699769465
Energy: 0.5814957531861072
Energy: 0.5620691285958067
Energy: 0.6369652108392589
Energy: 0.627644473019204
Energy: 0.5390120315792382
Energy: 0.5897128957531403
Energy: 0.5594518853005553
Energy: 0.5352557496849758
Energy: 0.5805753192936716
Energy: 0.6652931595986885
Energy: 0.6269776313792402
Energy: 0.6176524529262953
Energy: 0.6662311070002437
Energy: 0.6404395772324539
Energy: 0.6174691002382608
Energy: 0.5015107600421086
Energy: 0.5265423863461536
Energy: 0.5273266140325972
Energy: 0.502132823402401
Energy: 0.572007832344967
Energy: 0.500915429348359
Energy: 0.5849087942564145
Energy: 0.5696637866491303
Energy: 0.6183343845500456
Energy: 0.5856734630128104
Energy: 0.6228575972198397
Energy: 0.607083205477923
Energy: 0.5833613203632845
Energy: 0.537557518013777
Energy: 0.5269464967971893
Energy: 0.5517876040278938
Energy: 0.507094335397155
Energy: 0.5265170834946198
Energy: 0.5216523683737079
Energy: 0.5030460676671069
Energy: 0.5018776737022551
Energy: 0.5248625659034944
Energy: 0.5031663930957998
Energy: 0.5027060606606321
Energy: 0.5208173429684717
Energy: 0.5290282407711605
Energy: 0.5312536919828429
Energy: 0.524034717293875
Energy: 0.6748671040659535
Energy: 0.5291208263304723
Energy: 0.5566932597049479
Energy: 0.5958525098244634
Energy: 0.5948438542184006
Energy: 0.5365221180989654
Energy: 0.516859516163442
Energy: 0.5605730470799926
Energy: 0.591950946077192
Energy: 0.7300648656186373
Energy: 0.6819474404115854
Energy: 0.856180663671347
Energy: 0.6082078320978535
Energy: 0.7092037147507975
Energy: 0.6055030038188906
Energy: 0.5359650236940312
Energy: 0.5887573189311093
Energy: 0.5356295127447848
Energy: 0.5358139215355202
Energy: 0.5809723095975952
Energy: 0.5078138941704251
Energy: 0.6668473711379305
Energy: 0.6374174015721212
Energy: 0.5860088158726263
Energy: 0.6475601583543134
Energy: 0.6371919000548587

minimum gb energy = 0.4971545436073664 eV
minimum distance =  2.65664862518472 Angstroms
sigma value = 17


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

Energy: 0.7405566226276172
Energy: 0.63524014803026
Energy: 0.7196063947930939
Energy: 0.7388189506067795
Energy: 0.8262488586577311
Energy: 0.603051057221063
Energy: 0.5185734944171075
Energy: 0.6060914859546326
Energy: 0.6070333097128717
Energy: 0.5592462106589274
Energy: 0.6054119761168332
Energy: 0.6158829826205472
Energy: 0.6658309604444057
Energy: 0.585495629965131
Energy: 0.5594228643490303
Energy: 0.6730507266436085
Energy: 0.5679773152294072
Energy: 0.559547139796173
Energy: 0.5625871803055241
Energy: 0.5179371941376983
Energy: 0.5211038172518767
Energy: 0.557832728517706
Energy: 0.5148295751902843
Energy: 0.5571782465305383
Energy: 0.531034949114785
Energy: 0.5480004576388935
Energy: 0.5495435227529869
Energy: 0.5312733263144814
Energy: 0.5851320158176987
Energy: 0.5521086154066646
Energy: 0.6147489564011471
Energy: 0.5476001909114783
Energy: 0.5490073599126088
Energy: 0.5822451654198889
Energy: 0.5473849173677579
Energy: 0.5678465389639927
Energy: 0.5613258551290233
Energy: 0.5085820941382516
Energy: 0.5087127689303699
Energy: 0.5777565385973146
Energy: 0.5094487753086658
Energy: 0.5460253753971556
Energy: 0.5954932915898634
Energy: 0.5814536709259484
Energy: 0.5729527591373895
Energy: 0.6207218553360426
Energy: 0.5819486125218537
Energy: 0.57590617762399
Energy: 0.5087075658924519
Energy: 0.5772241048355733
Energy: 0.5560736258193659
Energy: 0.5094648928795664
Energy: 0.5857732996761033
Energy: 0.5761749879611668
Energy: 0.5144515199934281
Energy: 0.5293287889582812
Energy: 0.5291623333991049
Energy: 0.5133878903089502
Energy: 0.529939910958224
Energy: 0.5285238578596346
Energy: 0.5974448107434912
Energy: 0.6231783479357669
Energy: 0.5799449267632116
Energy: 0.5932155990998981
Energy: 0.5368738572852018
Energy: 0.5777622395663821
Energy: 0.628477268319941
Energy: 0.5579380554206617
Energy: 0.5582144223789592
Energy: 0.6299655645457722
Energy: 0.5585980909030821
Energy: 0.5579696492566809
Energy: 0.6326134691104547
Energy: 0.6172521550744137
Energy: 0.6006469579968654
Energy: 0.5787149796693948
Energy: 0.6760089443646314
Energy: 0.6017084462046793
Energy: 0.6090865037265771
Energy: 0.6030400983613547
Energy: 0.5587675196593301
Energy: 0.6070951564878495
Energy: 0.6022743287308164
Energy: 0.6037705382131765
Energy: 0.7442405898833047
Energy: 0.6179218302075861
Energy: 0.620076210747373
Energy: 0.7444233535561585
Energy: 0.6201682256636124
Energy: 0.6207097946585692
Energy: 0.6714872965074223
Energy: 0.6020522995384312
Energy: 0.6268392031249377
Energy: 0.6046128916669516
Energy: 0.5835952935095142
Energy: 0.601018205469039
Energy: 0.6755647518694821
Energy: 0.6027547733027517
Energy: 0.5971917159524106
Energy: 0.5784403514878443
Energy: 0.6754949782031157
Energy: 0.5984521657917807

minimum gb energy = 0.5085820941382516 eV
minimum distance =  2.59733081677646 Angstroms
sigma value = 17


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

Energy: 0.7524346975443255
Energy: 0.6915639998339261
Energy: 0.5413298630211294
Energy: 0.6160416405271594
Energy: 0.7491619630781677
Energy: 0.5832545386699538
Energy: 0.5834278014020522
Energy: 0.5789490162982857
Energy: 0.5829618797350832
Energy: 0.5573340484232201
Energy: 0.582865527928718
Energy: 0.5750239717957397
Energy: 0.6332801126085066
Energy: 0.5484666155696889
Energy: 0.5727573814336089
Energy: 0.6348546665669866
Energy: 0.5714743744106205
Energy: 0.6031234971675834
Energy: 0.5560745934159905
Energy: 0.5562346418122829
Energy: 0.6020779926119517
Energy: 0.5568821239452898
Energy: 0.5850376749820319
Energy: 0.5401972995443698
Energy: 0.6149999760147723
Energy: 0.5286575403106476
Energy: 0.5547732418626642
Energy: 0.6008198198257849
Energy: 0.5636416974818985
Energy: 0.5592452569379738
Energy: 0.6621668624485202
Energy: 0.5418518926615227
Energy: 0.5316749578965939
Energy: 0.5445371163453402
Energy: 0.5286876805063642
Energy: 0.5508373659770966
Energy: 0.6246259682008348
Energy: 0.5022284611184368
Energy: 0.4988026501233585
Energy: 0.5402480673919741
Energy: 0.5014082153974425
Energy: 0.5556066890566778
Energy: 0.5924638306131433
Energy: 0.5356129852745349
Energy: 0.5438055771171451
Energy: 0.5775993049104969
Energy: 0.5324081520682249
Energy: 0.5415492916883727
Energy: 0.47798327623097137
Energy: 0.541091753855978
Energy: 0.47562129079647525
Energy: 0.4789981561024348
Energy: 0.557952471922796
Energy: 0.47631207165508305
Energy: 0.4792649956212723
Energy: 0.5342257672081807
Energy: 0.5369378635470697
Energy: 0.4791903644519737
Energy: 0.5262442295624742
Energy: 0.5311383727568684
Energy: 0.586781753745567
Energy: 0.5291312365446096
Energy: 0.5277892281811144
Energy: 0.5310066263121094
Energy: 0.4781925417297383
Energy: 0.5300783764910901
Energy: 0.5789603079432375
Energy: 0.47598009896272564
Energy: 0.4761777568718638
Energy: 0.5797528093197691
Energy: 0.482477090001942
Energy: 0.5060102319119469
Energy: 0.5233586047125041
Energy: 0.546810180700328
Energy: 0.5371466201222355
Energy: 0.556894769546247
Energy: 0.5488726985523074
Energy: 0.5468251936496988
Energy: 0.4992654391002108
Energy: 0.5525486973461311
Energy: 0.5429209759594427
Energy: 0.49980197511885355
Energy: 0.5472447668087382
Energy: 0.49849303568990155
Energy: 0.5019537408220325
Energy: 0.541739313243955
Energy: 0.5437054514902164
Energy: 0.5191389589852747
Energy: 0.535272421207126
Energy: 0.5233804395337299
Energy: 0.5848447313578122
Energy: 0.5636581884605041
Energy: 0.5649624948939863
Energy: 0.5754918485989522
Energy: 0.5684321630319209
Energy: 0.5627202335592282
Energy: 0.5775308115736544
Energy: 0.5542449368595085
Energy: 0.5540786681743528
Energy: 0.5275206536888396
Energy: 0.5641237394663479
Energy: 0.5580441773177984
Energy: 0.5795292641111577
Energy: 0.5886469925446322
Energy: 0.631934218169246
Energy: 0.5929817989824878
Energy: 0.6351250436687093
Energy: 0.5802497136120663
Energy: 0.598838329765322
Energy: 0.5523025912003964
Energy: 0.5612752049750162
Energy: 0.5992058356957022
Energy: 0.5671423865517908
Energy: 0.5911758064794834
Energy: 0.7448073680541861
Energy: 0.5735718034081742
Energy: 0.581915474876493
Energy: 0.7453437056609524
Energy: 0.5693322402655021
Energy: 0.581234685247996
Energy: 0.6292070635921371
Energy: 0.555617645361062
Energy: 0.5525756309582578
Energy: 0.6301569397885254
Energy: 0.5547286861222683
Energy: 0.5793332083875585
Energy: 0.5422995040270906
Energy: 0.591057656965264
Energy: 0.5945285831045943
Energy: 0.5809250064145306
Energy: 0.6314864429141182
Energy: 0.589174386808419
Energy: 0.6041308483275738
Energy: 0.5838348244217966
Energy: 0.584060095645777
Energy: 0.59089309593049
Energy: 0.5877521850989019
Energy: 0.6335034446512693
Energy: 0.6332172046824539
Energy: 0.6129722933961544
Energy: 0.5777623540828516
Energy: 0.6337673336357538
Energy: 0.600306671780341
Energy: 0.5836714430324137
Energy: 0.5509642528127264
Energy: 0.5505952662769417
Energy: 0.5704557356209766
Energy: 0.5511045744488203
Energy: 0.5441143739195332
Energy: 0.5776840632803553
Energy: 0.5623403762275508
Energy: 0.5433459639442829
Energy: 0.5370875050362119
Energy: 0.5635767129833779
Energy: 0.5416996882759035
Energy: 0.5633216783873684
Energy: 0.6412734051769077
Energy: 0.5734457454274682
Energy: 0.5657991798785068
Energy: 0.544538903461527
Energy: 0.5733609880076448
Energy: 0.5447671767744976
Energy: 0.5809790270493077
Energy: 0.5017748817154565
Energy: 0.49844370337883637
Energy: 0.5818141915970316
Energy: 0.5008706517145998
Energy: 0.4984096635435511
Energy: 0.5765937116397143
Energy: 0.5452020044519894
Energy: 0.5382208329683578
Energy: 0.588579078148416
Energy: 0.5301274978236666
Energy: 0.5366140246728812
Energy: 0.48535760337055167
Energy: 0.5355938709031031
Energy: 0.5409511203528997
Energy: 0.478895651294003
Energy: 0.5297394441815008
Energy: 0.5252864877145331
Energy: 0.4785617406928186
Energy: 0.5421005826608944
Energy: 0.5378833203460666
Energy: 0.4791891670285016
Energy: 0.5458890435303749
Energy: 0.5065050748130363
Energy: 0.6051306684825933
Energy: 0.5366736685308948
Energy: 0.5352805917371778
Energy: 0.5330741943123218
Energy: 0.543276696845419
Energy: 0.5311108067054884
Energy: 0.5810418959953373
Energy: 0.47880329456336407
Energy: 0.47598129130193
Energy: 0.5638540216969696
Energy: 0.478075504167624
Energy: 0.4760474269734779
Energy: 0.6438772117774572
Energy: 0.5294239651513217
Energy: 0.5285940844509059
Energy: 0.5417661948928076
Energy: 0.517206186422234
Energy: 0.5429646498626514
Energy: 0.5025872363894175
Energy: 0.5368868773728345
Energy: 0.5373212817340298
Energy: 0.5033938600337625
Energy: 0.5348837611773719
Energy: 0.5416022043440116
Energy: 0.5052077372292895
Energy: 0.5419639153335376
Energy: 0.5685335120779171
Energy: 0.5084476224038165
Energy: 0.544948263976498
Energy: 0.5277775414687167
Energy: 0.5865554274199561
Energy: 0.5564298047819278
Energy: 0.5677886332102745
Energy: 0.5862567461220056
Energy: 0.5251215444278848
Energy: 0.5659717963368791
Energy: 0.6040834973885997
Energy: 0.554796040278939
Energy: 0.5506078777698968
Energy: 0.5581588087005633
Energy: 0.5570066383450613
Energy: 0.5505124303421237
Energy: 0.6787035644351574
Energy: 0.6422298456710926
Energy: 0.5366099198909121
Energy: 0.5550068745522295
Energy: 0.6375708260508718
Energy: 0.5638272889527485
Energy: 0.60166079539203
Energy: 0.5559679245475619
Energy: 0.5545221953565431
Energy: 0.596782961653805
Energy: 0.5538163562270624
Energy: 0.5560982288133629
Energy: 0.5943262005212836
Energy: 0.5701018459265388
Energy: 0.6176634583780038
Energy: 0.5892698782334114
Energy: 0.5651776778768968
Energy: 0.5963454875879659
Energy: 0.6332070042449582
Energy: 0.5653498460169203
Energy: 0.5778280171747284
Energy: 0.6338442122154695
Energy: 0.5206779719330671
Energy: 0.5836946452750763
Energy: 0.6139674904540405
Energy: 0.5872657194857214
Energy: 0.6380271604549977
Energy: 0.5996628724756796
Energy: 0.5864545852993549
Energy: 0.5851219363145944

minimum gb energy = 0.47562129079647525 eV
minimum distance =  2.5797331113092 Angstroms
sigma value = 57


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

Energy: 0.6761043190551295
Energy: 0.6323840467883631
Energy: 0.5730596981112188
Energy: 0.5352377886348401
Energy: 0.7367723045885396
Energy: 0.5740537462811209
Energy: 0.5746050036349517
Energy: 0.5631453382281764
Energy: 0.5702417245754993
Energy: 0.548282065163036
Energy: 0.5796216126995462
Energy: 0.5540674186457316
Energy: 0.6165671456617309
Energy: 0.545699974862024
Energy: 0.5443683425786757
Energy: 0.6175976276857501
Energy: 0.5440247650987278
Energy: 0.5863921315578754
Energy: 0.5427237535898197
Energy: 0.5495523759996411
Energy: 0.5765003416662986
Energy: 0.5492071450498296
Energy: 0.5295463222314919
Energy: 0.5259109016303519
Energy: 0.5660069459361996
Energy: 0.5316707912027984
Energy: 0.535756567629733
Energy: 0.5672844080364478
Energy: 0.5424692689584594
Energy: 0.5399872980285434
Energy: 0.6257103798489271
Energy: 0.5302223331521102
Energy: 0.5144242430079777
Energy: 0.5163720466784708
Energy: 0.5291636723214573
Energy: 0.5502094987980398
Energy: 0.57153930564883
Energy: 0.49318349244102055
Energy: 0.494925088484013
Energy: 0.5266089364469361
Energy: 0.4910729028374646
Energy: 0.5466541094503032
Energy: 0.5600259747797265
Energy: 0.512989121901444
Energy: 0.5095588641569536
Energy: 0.541803261772351
Energy: 0.5115875086583264
Energy: 0.5199859731123507
Energy: 0.4632054402660997
Energy: 0.5413138207586883
Energy: 0.4610282522233631
Energy: 0.46435152182986056
Energy: 0.5060792617179088
Energy: 0.4691449531959906
Energy: 0.4623297949988079
Energy: 0.5040838636841496
Energy: 0.5001496677945746
Energy: 0.4693817397531272
Energy: 0.5324148719178271
Energy: 0.5019152088655761
Energy: 0.5894725896742907
Energy: 0.504608575414877
Energy: 0.4993556356370783
Energy: 0.5071489429494909
Energy: 0.4613306257858437
Energy: 0.4973490153344382
Energy: 0.5785495068192229
Energy: 0.4522056226531705
Energy: 0.45434121006331535
Energy: 0.5086300512265725
Energy: 0.4511012616133889
Energy: 0.47761469237957194
Energy: 0.579981302111123
Energy: 0.5014548934424526
Energy: 0.4930072001387431
Energy: 0.5076314974138689
Energy: 0.5030458513844784
Energy: 0.49970599240735414
Energy: 0.4455609818842038
Energy: 0.50495863326696
Energy: 0.49285616807705857
Energy: 0.44653141987290357
Energy: 0.5645410489988231
Energy: 0.454009928815595
Energy: 0.450160906469951
Energy: 0.509381460498649
Energy: 0.506642099924181
Energy: 0.5047640491650627
Energy: 0.5134475903134853
Energy: 0.5103043340449236
Energy: 0.5602285401942523
Energy: 0.4673098048134519
Energy: 0.5035940397736656
Energy: 0.5181864521792535
Energy: 0.46692051137542506
Energy: 0.500398048467551
Energy: 0.5414508648801911
Energy: 0.47011345773845437
Energy: 0.47203002454235166
Energy: 0.518638110415832
Energy: 0.4687779260794117
Energy: 0.5262325518765009
Energy: 0.5307837760742078
Energy: 0.5129849401582335
Energy: 0.5212386184319576
Energy: 0.5316883511455757
Energy: 0.5158975490540799
Energy: 0.5316748358139181
Energy: 0.48877870961131126
Energy: 0.5274997665745077
Energy: 0.4883483484786018
Energy: 0.48982726620066164
Energy: 0.5356732513831475
Energy: 0.49552039923017077
Energy: 0.5901983295366892
Energy: 0.5296267879592207
Energy: 0.5318390796576599
Energy: 0.5901600066418932
Energy: 0.5147618474088109
Energy: 0.5703560953286144
Energy: 0.5609783528987564
Energy: 0.5521717005467398
Energy: 0.5549584635254884
Energy: 0.5542908571285255
Energy: 0.5414396320190228
Energy: 0.5450509567394727
Energy: 0.6061495096428986
Energy: 0.548456663357354
Energy: 0.5103830562120647
Energy: 0.5218591822727698
Energy: 0.5485301554589951
Energy: 0.5692086699378139
Energy: 0.5630708734015363
Energy: 0.6058767486621256
Energy: 0.6111617663231738
Energy: 0.563497758725369
Energy: 0.602878632661091
Energy: 0.5997757857238112
Energy: 0.5727539915613432
Energy: 0.5334438815078931
Energy: 0.5549281655831236
Energy: 0.5685909284530861
Energy: 0.5357519734086047
Energy: 0.5510297739852379
Energy: 0.6081698031836109
Energy: 0.5798455244282504
Energy: 0.5764708548088735
Energy: 0.6081148710460816
Energy: 0.5552912459756116
Energy: 0.581862762394936
Energy: 0.5990926435985082
Energy: 0.5647466045722171
Energy: 0.564924453830533
Energy: 0.6006322994018948
Energy: 0.5621915753855984
Energy: 0.5723662589745137
Energy: 0.6703398965991088
Energy: 0.602998689279093
Energy: 0.587398745059333
Energy: 0.5381589441138056
Energy: 0.6084918427414915
Energy: 0.5911452391801686

minimum gb energy = 0.4455609818842038 eV
minimum distance =  2.60176781212591 Angstroms
sigma value = 43


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

Energy: 0.6203852320765629
Energy: 0.5636712178886799
Energy: 0.5248701906272972
Energy: 0.4836119673511703
Energy: 0.606710959684723
Energy: 0.49926036343227953
Energy: 0.5033928471914969
Energy: 0.5099373645848522
Energy: 0.47979864203723116
Energy: 0.5061157077630234
Energy: 0.5176353060229577
Energy: 0.47958657498565044
Energy: 0.5455818280948984
Energy: 0.46869981202540223
Energy: 0.48937545354150014
Energy: 0.5466708995807906
Energy: 0.4655665536216635
Energy: 0.48764193194566946
Energy: 0.5002471464726647
Energy: 0.48360359592332197
Energy: 0.4838444957413974
Energy: 0.5013163107880565
Energy: 0.49594737034650205
Energy: 0.4772661515775957
Energy: 0.5124638342186547
Energy: 0.46857631417941725
Energy: 0.47714399098031773
Energy: 0.5126505487991777
Energy: 0.5048005739176008
Energy: 0.4686036654704808
Energy: 0.5816779177639031
Energy: 0.4633796775465812
Energy: 0.4358431004183249
Energy: 0.45224499364675264
Energy: 0.46348709485986
Energy: 0.47241555632068793
Energy: 0.485221703056411
Energy: 0.4482586658326526
Energy: 0.4480973197803312
Energy: 0.4625469644085919
Energy: 0.4515501760520602
Energy: 0.4483389837084826
Energy: 0.5116671319892231
Energy: 0.4434205675056541
Energy: 0.4591732222415091
Energy: 0.5113962740478978
Energy: 0.451358792779818
Energy: 0.45706469445498976
Energy: 0.42292177665735664
Energy: 0.4625821504642905
Energy: 0.4215066156003046
Energy: 0.4240411368474824
Energy: 0.5109972892399262
Energy: 0.4220963795930902
Energy: 0.40948250141203196
Energy: 0.45026453198821453
Energy: 0.46722000062995916
Energy: 0.42104723574793773
Energy: 0.45132758156312097
Energy: 0.4527678731267021
Energy: 0.5564163595576006
Energy: 0.4066287216153596
Energy: 0.40651994713220224
Energy: 0.43614828081430335
Energy: 0.4055894617285862
Energy: 0.4416927494767045
Energy: 0.5042765462178357
Energy: 0.4034675644462672
Energy: 0.40261189201665526
Energy: 0.4430313335866483
Energy: 0.4080356512612349
Energy: 0.44229154570748774
Energy: 0.5048872267693694
Energy: 0.4292131463795955
Energy: 0.44587359507007945
Energy: 0.44253045132204466
Energy: 0.4298904117118626
Energy: 0.4397097751826871
Energy: 0.3919991331844105
Energy: 0.4446168840140984
Energy: 0.3916253557437237
Energy: 0.39340389905073636
Energy: 0.498075792211894
Energy: 0.3944231691491243
Energy: 0.3914350730001826
Energy: 0.43626322118365224
Energy: 0.43794799858584516
Energy: 0.3934040924174108
Energy: 0.42721605109063043
Energy: 0.43733805254691827
Energy: 0.4431334263513218
Energy: 0.389601817592454
Energy: 0.39017231272886177
Energy: 0.4364764255421713
Energy: 0.38791584070615215
Energy: 0.4379625240968364
Energy: 0.4496881775553902
Energy: 0.3881123230098475
Energy: 0.3879051268244245
Energy: 0.43565571796288916
Energy: 0.38823220401887143
Energy: 0.4332732364627272
Energy: 0.4998988029241261
Energy: 0.43412986646617885
Energy: 0.4371750458846566
Energy: 0.4305023308759523
Energy: 0.4273377957671198
Energy: 0.4364530017460313
Energy: 0.3865107891555866
Energy: 0.4866589998698768
Energy: 0.3863268343954966
Energy: 0.38761351989508014
Energy: 0.4848530160780884
Energy: 0.38661928021687314
Energy: 0.49408075183896555
Energy: 0.426921717778584
Energy: 0.4330571961722334
Energy: 0.4685716120750596
Energy: 0.42902506841237403
Energy: 0.4396552748783345
Energy: 0.475532184950873
Energy: 0.3918185640438509
Energy: 0.3915373193912675
Energy: 0.4435370494953956
Energy: 0.392167913808065
Energy: 0.43392805713352967
Energy: 0.44164948064594906
Energy: 0.39446598146383494
Energy: 0.39548177508129206
Energy: 0.4406113570857286
Energy: 0.3947666152942329
Energy: 0.4428906685030319
Energy: 0.40259717823401314
Energy: 0.44262721674813965
Energy: 0.45221898129166255
Energy: 0.4024981710738055
Energy: 0.4597523604110118
Energy: 0.4545267724365251
Energy: 0.4037725311061557
Energy: 0.4429879495181724
Energy: 0.4029663657400136
Energy: 0.4046260837531239
Energy: 0.49495184930661557
Energy: 0.404780734492996
Energy: 0.5038842999527653
Energy: 0.44401999891173555
Energy: 0.45358705466918947
Energy: 0.4690327072549954
Energy: 0.4440439706065036
Energy: 0.4480266345242364
Energy: 0.49810502261512246
Energy: 0.42167766087072384
Energy: 0.4208939306156994
Energy: 0.45683722527784854
Energy: 0.425047701255784
Energy: 0.4555998687490333
Energy: 0.5710248877346606
Energy: 0.4221543658040261
Energy: 0.42498570371371197
Energy: 0.44309769173918206
Energy: 0.4226416528769947
Energy: 0.45782980236614995
Energy: 0.4587785224122153
Energy: 0.46331199101204884
Energy: 0.4766238617079848
Energy: 0.4706332861078986
Energy: 0.4630198484269932
Energy: 0.47315710447075177
Energy: 0.4489232984081147
Energy: 0.4763332943825248
Energy: 0.4479116265463008
Energy: 0.450018419518015
Energy: 0.517044188858334
Energy: 0.44833059624470933
Energy: 0.5232193149186039
Energy: 0.4583949056472778
Energy: 0.4741080189807332
Energy: 0.5246997468866212
Energy: 0.46366868251589743
Energy: 0.4709787856786854
Energy: 0.4973583905406561
Energy: 0.4754823055500359
Energy: 0.47466552537972095
Energy: 0.48477956616475554
Energy: 0.4939278280257956
Energy: 0.47497469169460543
Energy: 0.5999884829110981
Energy: 0.4888298687863795
Energy: 0.481298373554229
Energy: 0.46113786009524255
Energy: 0.4888576702630711
Energy: 0.48021765995313737
Energy: 0.4777943942817119
Energy: 0.48954832836223844
Energy: 0.4867638912644175
Energy: 0.5011393642158668
Energy: 0.5268968073968272
Energy: 0.4868839475039982
Energy: 0.5189910872282097
Energy: 0.495830533082573
Energy: 0.49613312164055223
Energy: 0.5160069210477001
Energy: 0.5041062373093264
Energy: 0.5098953407261058
Energy: 0.5353599121745464
Energy: 0.4766417488450294
Energy: 0.5017123277564658
Energy: 0.5360311869840744
Energy: 0.4760970739645723
Energy: 0.474755785890861
Energy: 0.503392847349206
Energy: 0.5138611058488977
Energy: 0.5009771851983915
Energy: 0.5080410837614862
Energy: 0.5149600539092531
Energy: 0.5060160286721742

minimum gb energy = 0.3863268343954966 eV
minimum distance =  2.6032619286879 Angstroms
sigma value = 81


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

Energy: 0.10427258721676506
Energy: 0.7094062162590596
Energy: 0.1047458985858535
Energy: 0.10637562564442316
Energy: 0.13226444762838327
Energy: 0.10517711831716864
Energy: 0.2602698189352165
Energy: 0.10550646200430498
Energy: 0.10506400776768872
Energy: 0.13237540794919064
Energy: 0.10777742294615704
Energy: 0.10543020762470509
Energy: 0.26261209003211977
Energy: 0.10501509745854751
Energy: 0.10511305195858064
Energy: 0.26352513138880934
Energy: 0.10483514137779454
Energy: 0.13059205226535528
Energy: 0.10718695776865148
Energy: 0.10473986312798289
Energy: 0.10544815498662788
Energy: 0.10833276632770861
Energy: 0.10491231176109012
Energy: 0.13140654584567046
Energy: 0.13067792875304243
Energy: 0.2637132756573264
Energy: 0.13075635767215216
Energy: 0.1322040120940048
Energy: 0.2619381168326534
Energy: 0.13128905601881757
Energy: 0.10547575432818748
Energy: 0.10524960020118215
Energy: 0.10495073980902649
Energy: 0.10685184200227954
Energy: 0.10523147393705427
Energy: 0.10485664229037023
Energy: 0.265461227020369
Energy: 0.10522482013892528
Energy: 0.10499564092136578
Energy: 0.266768114272695
Energy: 0.10985572073634244
Energy: 0.10519057298007017
Energy: 0.26412330549086727
Energy: 0.10502018369914841
Energy: 0.10483176171496368
Energy: 0.2653220489539985
Energy: 0.10463517237733316
Energy: 0.13287952641145787
Energy: 0.10563694079838738
Energy: 0.10536366502331558
Energy: 0.13182916015267984
Energy: 0.10742107790625774
Energy: 0.10477137169317663
Energy: 0.20445065718531957
Energy: 0.10552372271225872
Energy: 0.2646463498039323
Energy: 0.13151952549007204
Energy: 0.10561989802773965
Energy: 0.2640375466488655
Energy: 0.20373143513176997

minimum gb energy = 0.10427258721676506 eV
minimum distance =  2.7840346489078 Angstroms
sigma value = 3


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

Energy: 0.6292188192367625
Energy: 0.5539566071864082
Energy: 0.5100612232223385
Energy: 0.6326215363894026
Energy: 0.5350912393817604
Energy: 0.5012303565866164
Energy: 0.5146821818134506
Energy: 0.5218710969621204
Energy: 0.5060283831152056
Energy: 0.5384608288687572
Energy: 0.5420190876729624
Energy: 0.5057588936520242
Energy: 0.5264549275819738
Energy: 0.49333649453385897
Energy: 0.5006413791808305
Energy: 0.545318303368596
Energy: 0.48420279555588114
Energy: 0.5053965409776332
Energy: 0.5029633373088
Energy: 0.493213864702071
Energy: 0.49769857361768705
Energy: 0.4974670196428304
Energy: 0.4565559817905704
Energy: 0.5050927314960059
Energy: 0.46286232368800323
Energy: 0.5311934934016023
Energy: 0.5237422841430539
Energy: 0.46213718817684124
Energy: 0.5422425717964198
Energy: 0.5064558559287812
Energy: 0.609630057597163
Energy: 0.4968253856943807
Energy: 0.49766763369055655
Energy: 0.46954108750617835
Energy: 0.5052888296141808
Energy: 0.48074170453865794
Energy: 0.49412871400394565
Energy: 0.46305240634267736
Energy: 0.48517949500905244
Energy: 0.4941225808062385
Energy: 0.46645089484516855
Energy: 0.48913682182831386
Energy: 0.4844385058135382
Energy: 0.4804242274881143
Energy: 0.4832401439382809
Energy: 0.4852451530243246
Energy: 0.46748756918196727
Energy: 0.45671975327672437
Energy: 0.47771100715101467
Energy: 0.4767820407936422
Energy: 0.49547878099052073
Energy: 0.4786791149819909
Energy: 0.4210040109322955
Energy: 0.4995919336489104
Energy: 0.4219696146264206
Energy: 0.4441114360539868
Energy: 0.44390604710426346
Energy: 0.42171886473342396
Energy: 0.4585784920770903
Energy: 0.44384436387926374
Energy: 0.4296496383435852
Energy: 0.4764827960086628
Energy: 0.47740738990899645
Energy: 0.4290311957683475
Energy: 0.4739187512193077
Energy: 0.46898349281258994
Energy: 0.42518873928051054
Energy: 0.46697689943250836
Energy: 0.4873279610077402
Energy: 0.4260005516826733
Energy: 0.4345679855671559
Energy: 0.42146687431273017
Energy: 0.42126428695008344
Energy: 0.46093535802097063
Energy: 0.47662025979278494
Energy: 0.41787787616052163
Energy: 0.45727157214577074
Energy: 0.4770251315374267
Energy: 0.4726768351497181
Energy: 0.43340364439222595
Energy: 0.4695492061106681
Energy: 0.4734232809214964
Energy: 0.4332753328149972
Energy: 0.4649374415996322
Energy: 0.4428852931979692
Energy: 0.4015446947800614
Energy: 0.4012132096954982
Energy: 0.4427584306222507
Energy: 0.4034065650356582
Energy: 0.401184666609886
Energy: 0.44761697134058015
Energy: 0.46019005195991625
Energy: 0.4555292307450488
Energy: 0.44682374005338343
Energy: 0.45136112846332527
Energy: 0.4561801221481721
Energy: 0.3968894560510254
Energy: 0.45031946530052697
Energy: 0.46781829419724
Energy: 0.39720512343039516
Energy: 0.4397548765594176
Energy: 0.3947440044356893
Energy: 0.3943306809375802
Energy: 0.45143622432355096
Energy: 0.45152445305096467
Energy: 0.39437625532308995
Energy: 0.5071688861573452
Energy: 0.46035323056736666
Energy: 0.5018148583973379
Energy: 0.44282793077657606
Energy: 0.4514133016217616
Energy: 0.47761780721474745
Energy: 0.4446255935693477
Energy: 0.45151813577759364
Energy: 0.43779075657243005
Energy: 0.3997208435256206
Energy: 0.39969417419660974
Energy: 0.43835916629927
Energy: 0.40222664296521754
Energy: 0.3999282445549162
Energy: 0.44731208390936167
Energy: 0.4631634113761181
Energy: 0.45573770687858184
Energy: 0.44786327316399505
Energy: 0.44091265664212836
Energy: 0.4537548129615479
Energy: 0.4016054472727092
Energy: 0.4637179599886573
Energy: 0.46924782459136566
Energy: 0.4029697237837377
Energy: 0.44369873427341777
Energy: 0.40119097063909037
Energy: 0.4039874454400749
Energy: 0.4698816142619233
Energy: 0.4698477437173767
Energy: 0.40441898395566805
Energy: 0.47108934750869474
Energy: 0.4737905538714822
Energy: 0.5432405023624893
Energy: 0.4169690146490078
Energy: 0.4804480663022071
Energy: 0.5478762950262333
Energy: 0.4168564790189071
Energy: 0.46660609613936116
Energy: 0.44999528695692315
Energy: 0.4257505548640382
Energy: 0.4254326119189207
Energy: 0.45105072782295486
Energy: 0.42937167196928194
Energy: 0.4174618360170794
Energy: 0.4612669644866943
Energy: 0.471607359239641
Energy: 0.4769846965872402
Energy: 0.4763891121512993
Energy: 0.44503077069644814
Energy: 0.48030457108532293
Energy: 0.44382975330808544
Energy: 0.47132337043029604
Energy: 0.47523684300643804
Energy: 0.4450135861900466
Energy: 0.40974447403203773
Energy: 0.4435410637257121
Energy: 0.4323717528492131
Energy: 0.4950764566165609
Energy: 0.49732511306721566
Energy: 0.43244675869004445
Energy: 0.4769352787714067
Energy: 0.4948407894218047
Energy: 0.5853589839352594
Energy: 0.4819781444628895
Energy: 0.48994374590257567
Energy: 0.45213145807104804
Energy: 0.48213329169000496
Energy: 0.4737294253608902
Energy: 0.4577034617603302
Energy: 0.5015106730308038
Energy: 0.4854961869348561
Energy: 0.4576720050977298
Energy: 0.5016279977483824
Energy: 0.4944550412599188
Energy: 0.503966825178354
Energy: 0.4830532959793177
Energy: 0.4890708894073203
Energy: 0.4947558200226872
Energy: 0.46897728920230264
Energy: 0.4885723484742501
Energy: 0.5252109708024527
Energy: 0.4841933303076612
Energy: 0.5064467287434735
Energy: 0.5261355444701179
Energy: 0.43191394413338396
Energy: 0.5069494063839763
Energy: 0.47976274128771834
Energy: 0.5120554407604379
Energy: 0.5116875786263416
Energy: 0.47973417755259806
Energy: 0.49338906457635995
Energy: 0.503251233349192

minimum gb energy = 0.3943306809375802 eV
minimum distance =  2.63183478733544 Angstroms
sigma value = 67


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

Energy: 0.6264751681941685
Energy: 0.586933037882414
Energy: 0.5704092569193353
Energy: 0.6283420394649827
Energy: 0.6759152833928629
Energy: 0.5836896418068898
Energy: 0.57633351197883
Energy: 0.6011086846901493
Energy: 0.5939394700158677
Energy: 0.6099795951961979
Energy: 0.6055403060690595
Energy: 0.5761501708300671
Energy: 0.5961860181666092
Energy: 0.5566826910349187
Energy: 0.5708342661537568
Energy: 0.5925581336590847
Energy: 0.499923512881806
Energy: 0.601574103584166
Energy: 0.5773610958541637
Energy: 0.5648779071817994
Energy: 0.6076356931062189
Energy: 0.577859101516127
Energy: 0.5439893451096387
Energy: 0.5703333241621896
Energy: 0.5482102369481903
Energy: 0.5902533508468507
Energy: 0.5694311827467244
Energy: 0.5484118727617998
Energy: 0.5846625023945607
Energy: 0.5709627603784244
Energy: 0.6003999110136209
Energy: 0.5665002795599108
Energy: 0.5788897659128616
Energy: 0.550920463015523
Energy: 0.5680041576218133
Energy: 0.5746295051183494
Energy: 0.5548829149395649
Energy: 0.5469660896517979
Energy: 0.5732973615782295
Energy: 0.5544815892333352
Energy: 0.5461855606944319
Energy: 0.5414513943012675
Energy: 0.5295570761448837
Energy: 0.5430370728423837
Energy: 0.5431940341251817
Energy: 0.5305709964610548
Energy: 0.49348887483637915
Energy: 0.5926058400957986
Energy: 0.5359815247523231
Energy: 0.5624061432252867
Energy: 0.5608756610782463
Energy: 0.5410103744364129
Energy: 0.511898347184811
Energy: 0.5537430547753344
Energy: 0.5136259294321166
Energy: 0.49783060350374003
Energy: 0.5000341801574686
Energy: 0.5140098516635762
Energy: 0.4954621000513399
Energy: 0.4841502816751074
Energy: 0.503558685748475
Energy: 0.5315361563295776
Energy: 0.5336987117243104
Energy: 0.4938252199896859
Energy: 0.5186899326450694
Energy: 0.5336131035915301
Energy: 0.467805455726097
Energy: 0.537608221193638
Energy: 0.548525313342293
Energy: 0.468855347544676
Energy: 0.5385468929030477
Energy: 0.4648979421146006
Energy: 0.4658676029414576
Energy: 0.5444320100742717
Energy: 0.5450483376276807
Energy: 0.4669493562554157
Energy: 0.5570034642070447
Energy: 0.5058468457152462
Energy: 0.5315810536972343
Energy: 0.5047454502949557
Energy: 0.5247236032448683
Energy: 0.5276298554635459
Energy: 0.5033606137803812
Energy: 0.5261091639788613
Energy: 0.5033155176023735
Energy: 0.4780261946043872
Energy: 0.4717067581035816
Energy: 0.5040876111423359
Energy: 0.4742446239894826
Energy: 0.46258180666847015
Energy: 0.5379899830320374
Energy: 0.53960221981155
Energy: 0.5354190455362036
Energy: 0.5433470519672774
Energy: 0.49460311169505716
Energy: 0.5306279711088577
Energy: 0.48465222322215434
Energy: 0.5304433579891472
Energy: 0.533885966119158
Energy: 0.485703873606701
Energy: 0.5715682319730659
Energy: 0.48443839088873925
Energy: 0.4973658830484934
Energy: 0.549114642282877
Energy: 0.5496711266640081
Energy: 0.49809232467882014
Energy: 0.5423514871556127
Energy: 0.6051346235453613
Energy: 0.5708495299161769
Energy: 0.5501700571754804
Energy: 0.5650253806825379
Energy: 0.5270737610493268
Energy: 0.5494049826488624
Energy: 0.5521107918634661
Energy: 0.5274178275445621
Energy: 0.5328699870108236
Energy: 0.5285958343889438
Energy: 0.5279197946041797
Energy: 0.5322376524482249
Energy: 0.5433487470914548
Energy: 0.5664466911157778
Energy: 0.5664189998106425
Energy: 0.5752220329054489
Energy: 0.5676623074181664
Energy: 0.48697845770285086
Energy: 0.5730413752023032
Energy: 0.5873072734841734
Energy: 0.551773789983859
Energy: 0.5717526035243248
Energy: 0.5839844684278576
Energy: 0.47876750360711473
Energy: 0.5670707363547697
Energy: 0.5761864563435689
Energy: 0.5852988899038416
Energy: 0.5722081426995985
Energy: 0.5761698300340847
Energy: 0.5837445799491117
Energy: 0.5637500224210308

minimum gb energy = 0.46258180666847015 eV
minimum distance =  2.54527646838416 Angstroms
sigma value = 33


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

Energy: 0.7346050691655288
Energy: 0.6436080554656942
Energy: 0.6214921351532237
Energy: 0.7151734291658541
Energy: 0.6797936150720076
Energy: 0.6252660175112728
Energy: 0.6060179103242603
Energy: 0.6419229172031282
Energy: 0.5858585005490841
Energy: 0.6096581281203515
Energy: 0.6329603182233133
Energy: 0.6032855188079111
Energy: 0.6456021731418368
Energy: 0.6501556221894124
Energy: 0.6134014095621213
Energy: 0.6044231959801799
Energy: 0.654256133080062
Energy: 0.6003049911302248
Energy: 0.6256067875253616
Energy: 0.6004264721074912
Energy: 0.6424019326404271
Energy: 0.6183259545070896
Energy: 0.5784492220768137
Energy: 0.6023059444583657
Energy: 0.5747487809373415
Energy: 0.6303965112973162
Energy: 0.6043012805599242
Energy: 0.6035535238223079
Energy: 0.6329946682555246
Energy: 0.6517529468793111
Energy: 0.6877258278753678
Energy: 0.6077330148229845
Energy: 0.6107232066623041
Energy: 0.6139706150154087
Energy: 0.6187539153225198
Energy: 0.6069613997229124
Energy: 0.591966384634256
Energy: 0.6142828767546171
Energy: 0.6224196076686064
Energy: 0.5888723975474945
Energy: 0.5860649049657586
Energy: 0.5760183783791603
Energy: 0.568338246147115
Energy: 0.6260822110409194
Energy: 0.6359769757470818
Energy: 0.5685465333137935
Energy: 0.6103198263859284
Energy: 0.6015693722459423
Energy: 0.5881603657794642
Energy: 0.6166169043640283
Energy: 0.6164122881630241
Energy: 0.5885910500538559
Energy: 0.5435224216432549
Energy: 0.6067288022752256
Energy: 0.5740153225609791
Energy: 0.5310323733203726
Energy: 0.5338029549660356
Energy: 0.5752869917164404
Energy: 0.5336304238801965
Energy: 0.5320499286787946
Energy: 0.5904223724020248
Energy: 0.5765078234316219
Energy: 0.5984891967741313
Energy: 0.5756456409176215
Energy: 0.5637305425872917
Energy: 0.5956485728140744
Energy: 0.5312165519374664
Energy: 0.601099619885962
Energy: 0.5988124027359792
Energy: 0.5319969753119499
Energy: 0.5798806051122193
Energy: 0.5904783615842931
Energy: 0.5337795776428812
Energy: 0.5998782603460269
Energy: 0.6035846122203651
Energy: 0.535001402576499
Energy: 0.5908920528980347
Energy: 0.5732777285045088
Energy: 0.5963811837739693
Energy: 0.5908517752695378
Energy: 0.6060522670341862
Energy: 0.535622146750126
Energy: 0.5936097095590047
Energy: 0.5854699740073371
Energy: 0.5510820540087527
Energy: 0.5719616165156765
Energy: 0.5698459185931356
Energy: 0.5511765066354
Energy: 0.567389275382285
Energy: 0.565598584277509
Energy: 0.5898815230025851
Energy: 0.6064233196367509
Energy: 0.6170334491350191
Energy: 0.5886771205116931
Energy: 0.5506156727330922
Energy: 0.597927318727579
Energy: 0.628017842027443
Energy: 0.6031541193982376
Energy: 0.6299129445057033
Energy: 0.6234755194319282
Energy: 0.6057800728961813
Energy: 0.6430136738660879
Energy: 0.6556360213632044
Energy: 0.6150196073493881
Energy: 0.6128407149316205
Energy: 0.6527087287771705
Energy: 0.612320152357544
Energy: 0.671676797843798
Energy: 0.7140267340787989
Energy: 0.6116732018826284
Energy: 0.6092119318716107
Energy: 0.7065221554022643
Energy: 0.6193906467025185
Energy: 0.6111958532080058
Energy: 0.590480268429581
Energy: 0.6332653611601776
Energy: 0.6065081259534595
Energy: 0.5850061136085837
Energy: 0.6312467384619737
Energy: 0.672210496441369
Energy: 0.6446905271821756
Energy: 0.6424637971727943
Energy: 0.6138952287201263
Energy: 0.6309946660262457
Energy: 0.6188687901047993
Energy: 0.6003900068523134
Energy: 0.6198639618697349
Energy: 0.6026919036607459
Energy: 0.604068949428919
Energy: 0.5982594148729447
Energy: 0.6170125285529706
Energy: 0.6271677823442876
Energy: 0.5892548573920104
Energy: 0.6388511469792261
Energy: 0.6028097705054931
Energy: 0.5870668915685663
Energy: 0.6310214381977907
Energy: 0.6455852174092873
Energy: 0.678750173475909
Energy: 0.6315431393782991
Energy: 0.642160018549897
Energy: 0.6741470626839481
Energy: 0.6300877022167135
Energy: 0.6044179011602943
Energy: 0.5881829191930625
Energy: 0.6223197134502939
Energy: 0.6206046678819228
Energy: 0.5881565358607248
Energy: 0.6139979669716683
Energy: 0.6641473927331508
Energy: 0.5665818465666337
Energy: 0.6147678214435738
Energy: 0.6333487226683352
Energy: 0.567870606259981
Energy: 0.6469865547825046
Energy: 0.5674230004568301
Energy: 0.5939193114065895
Energy: 0.617867886763456
Energy: 0.6164469908452461
Energy: 0.5941493704817923
Energy: 0.5658548660214964
Energy: 0.6081784154629138
Energy: 0.5770710028617287
Energy: 0.541729788205477
Energy: 0.5320384260550007
Energy: 0.5823579976625485
Energy: 0.54510956230674
Energy: 0.5343585482256981
Energy: 0.6255288571989445
Energy: 0.5468559583185558
Energy: 0.6106687572585024
Energy: 0.5772997169018418
Energy: 0.5604227607570512
Energy: 0.5988460792129552
Energy: 0.5341515690418303
Energy: 0.6027235119859133
Energy: 0.6011196513788931
Energy: 0.5339305110464944
Energy: 0.5747405048333785
Energy: 0.6011931328526564
Energy: 0.5304978276517338
Energy: 0.5950143917159101
Energy: 0.6261345029900761
Energy: 0.5315104648139223
Energy: 0.5932314657204419
Energy: 0.5294597267763508
Energy: 0.5857172209783441
Energy: 0.6025915942685329
Energy: 0.6037509151272207
Energy: 0.5352312003528188
Energy: 0.5852413776701454
Energy: 0.5868608752013764
Energy: 0.5500827854513447
Energy: 0.5659358170525713
Energy: 0.565689254846506
Energy: 0.5461506020935248
Energy: 0.5679560051579089
Energy: 0.585001886600969
Energy: 0.6105233757640002
Energy: 0.5938125127903049
Energy: 0.6235607080840088
Energy: 0.604149318654459
Energy: 0.5510850437127698
Energy: 0.5977062750615413
Energy: 0.637632418781127
Energy: 0.6279800599173181
Energy: 0.6319655384850223
Energy: 0.5966218180877418
Energy: 0.6256727867701418
Energy: 0.6257637919893819
Energy: 0.6632664191484725
Energy: 0.6136166818423447
Energy: 0.5913483514107337
Energy: 0.6146683915411223
Energy: 0.5878662066918597
Energy: 0.6149586333996675
Energy: 0.5489692161216977
Energy: 0.5869877548863659
Energy: 0.6089103126946267
Energy: 0.6648110301872332
Energy: 0.5990968816074573
Energy: 0.6133309170071964

minimum gb energy = 0.5294597267763508 eV
minimum distance =  2.5652260488017 Angstroms
sigma value = 41


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

Energy: 0.6993111487712103
Energy: 0.6365395503744238
Energy: 0.6387088087835925
Energy: 0.6860760784814676
Energy: 0.6214230462028105
Energy: 0.7912814384477843
Energy: 0.5901570009470202
Energy: 0.6365806987501718
Energy: 0.6417212927661246
Energy: 0.6344513865351927
Energy: 0.6524048297208354
Energy: 0.6475399511305201
Energy: 0.6359559447284905
Energy: 0.6722172851868581
Energy: 0.6735583096997774
Energy: 0.6374422179395103
Energy: 0.6339879515144019
Energy: 0.604032852949053
Energy: 0.6055758162472761
Energy: 0.6477128474068016
Energy: 0.6498410767464357
Energy: 0.6062845709787331
Energy: 0.5883405122346976
Energy: 0.6053334005122646
Energy: 0.6169265471599715
Energy: 0.6433604761295028
Energy: 0.6040987016341659
Energy: 0.6174109272656527
Energy: 0.630900498761178
Energy: 0.6446684841428485
Energy: 0.647015885574331
Energy: 0.5950101854004698
Energy: 0.619026239098315
Energy: 0.6435059072704393
Energy: 0.5945246031938458
Energy: 0.6574795090365301
Energy: 0.5756912136126636
Energy: 0.6241713020695838
Energy: 0.6263796843161952
Energy: 0.5752649055327055
Energy: 0.6153580461955329
Energy: 0.6614019490750107
Energy: 0.5684244598690876
Energy: 0.6542876021646555
Energy: 0.6438976598962194
Energy: 0.5687427265357065
Energy: 0.6350467158261973
Energy: 0.5991459337481749
Energy: 0.5957649216800412
Energy: 0.6168817332767388
Energy: 0.6176855645713719
Energy: 0.5957709964285193
Energy: 0.576518517708476
Energy: 0.6308218955389026
Energy: 0.6102506252423009
Energy: 0.5719900291496032
Energy: 0.5685478007000473
Energy: 0.6141377951573337
Energy: 0.5688299319094263
Energy: 0.6055434382706265
Energy: 0.6012625171411584
Energy: 0.5714347911620524
Energy: 0.6488839195253239
Energy: 0.6115689706104399
Energy: 0.5545738364095432
Energy: 0.6164026551685422
Energy: 0.6177353923098131
Energy: 0.6400838830448188
Energy: 0.6374434378965878
Energy: 0.6384536027571488
Energy: 0.6644922820821574
Energy: 0.6421410088448529
Energy: 0.6357320732573539
Energy: 0.6082754380204681
Energy: 0.6268890303276796
Energy: 0.6364883193906857
Energy: 0.6054956650229685
Energy: 0.6457556913042288
Energy: 0.6710820061360223
Energy: 0.6015183086480042
Energy: 0.6348761765447857
Energy: 0.6757404235417057
Energy: 0.6022968710003548
Energy: 0.6457952248196416

minimum gb energy = 0.5545738364095432 eV
minimum distance =  2.57907153665996 Angstroms
sigma value = 11


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

Energy: 0.6634774332509383
Energy: 0.9434349918160524
Energy: 0.7020788558422114
Energy: 0.8261369342570719
Energy: 1.0069832369300757
Energy: 0.7118885436215967
Energy: 0.6225474501963603
Energy: 0.5910275695741511
Energy: 0.6030947601448788
Energy: 0.6568883340070585
Energy: 0.5953519399439506
Energy: 0.6477105346903038
Energy: 0.6541891293350073
Energy: 0.6423956095705143
Energy: 0.6471361732683902
Energy: 0.6562282287185338
Energy: 0.6100423921030674
Energy: 0.6411159831116142
Energy: 0.5830401396452168
Energy: 0.6365083548737804
Energy: 0.6445805477908593
Energy: 0.5834307907900042
Energy: 0.5804255772846963
Energy: 0.6485210936644747
Energy: 0.5925477447019558
Energy: 0.5775060242299631
Energy: 0.5764215307935717
Energy: 0.5911872887054477
Energy: 0.5844526776169796
Energy: 0.6296927329246549
Energy: 0.6003821108520115
Energy: 0.5771298865342084
Energy: 0.6411661925809281
Energy: 0.6000153588541339
Energy: 0.570734381472456
Energy: 0.6424110263177865
Energy: 0.5780357494287284
Energy: 0.6540953458229555
Energy: 0.6492821094194727
Energy: 0.5780456893956756
Energy: 0.594607508299881
Energy: 0.6370417970845418
Energy: 0.584054067500768
Energy: 0.5961047878278739
Energy: 0.6240232150402746
Energy: 0.5821806288519081
Energy: 0.5860707038117909
Energy: 0.5948897761975795
Energy: 0.5728715251593675
Energy: 0.6071018097868744
Energy: 0.5869149770719639
Energy: 0.5717966116637407
Energy: 0.5838887406409214
Energy: 0.6558969873837993
Energy: 0.5728193882904475
Energy: 0.6488257156166183
Energy: 0.6547787417996724
Energy: 0.5731390650343241
Energy: 0.6500854065242626
Energy: 0.6205215816761187
Energy: 0.5805816700172836
Energy: 0.6090627929799352
Energy: 0.6298171984649933
Energy: 0.5914924379116523
Energy: 0.6064234181153674
Energy: 0.5913755994243579
Energy: 0.6618816159235225
Energy: 0.639810002407698
Energy: 0.6323084792993727
Energy: 0.6652369168634419
Energy: 0.6354368355138615
Energy: 0.687756266337303
Energy: 0.5895837384682809
Energy: 0.652100699017381
Energy: 0.6472956994869554
Energy: 0.5903051371609842
Energy: 0.6544380471791676
Energy: 0.6387074722681015
Energy: 0.5748609120449857
Energy: 0.644854962945933
Energy: 0.6480363397251361
Energy: 0.5728508418379261
Energy: 0.648696877735065
Energy: 0.6037712281219595
Energy: 0.5805428391252856
Energy: 0.5924556933174183
Energy: 0.6578521279492502
Energy: 0.5811739014958766
Energy: 0.5926865442378515
Energy: 0.6460089091920342
Energy: 0.5728117767108646
Energy: 0.5867782569615062
Energy: 0.6007056980727637
Energy: 0.5740430227140118
Energy: 0.5856578745852583
Energy: 0.5785928331304276
Energy: 0.5643126154361454
Energy: 0.6096409423910507
Energy: 0.6431991811814047
Energy: 0.56443005082168
Energy: 0.6023377721356485
Energy: 0.6295846285620369
Energy: 0.6615869372887823
Energy: 0.629392455787797
Energy: 0.6084204075596111
Energy: 0.6627424451351511
Energy: 0.63107475942425
Energy: 0.6199374406033831
Energy: 0.5753373193655605
Energy: 0.605929645841348
Energy: 0.6262800139519678
Energy: 0.5761656451891168
Energy: 0.6033350382995867
Energy: 0.634338937993427
Energy: 0.5722972092800666
Energy: 0.653194930951772
Energy: 0.6429158848533727
Energy: 0.5725896827364408
Energy: 0.629376869315374
Energy: 0.5956569452662827
Energy: 0.6131556053109822
Energy: 0.640540779652615
Energy: 0.6317460602141206
Energy: 0.6100819824773486
Energy: 0.5904066591091569
Energy: 0.5938524298028738
Energy: 0.5865160070563327
Energy: 0.6014389749126172
Energy: 0.6136051347428474
Energy: 0.5898626998301866
Energy: 0.6046954468209428
Energy: 0.6186297109406489
Energy: 0.5819143551632082
Energy: 0.5757523682989822
Energy: 0.5971638675019337
Energy: 0.582004661304487
Energy: 0.5730312429624631
Energy: 0.6058245570295536
Energy: 0.608983027135404
Energy: 0.5745163094748105
Energy: 0.6233320120109429
Energy: 0.6060815729404402
Energy: 0.5742552649151329
Energy: 0.6316529494267833
Energy: 0.6300342487642172
Energy: 0.6397152855581674
Energy: 0.6078245670850848
Energy: 0.6279431178890298
Energy: 0.6317421445406787
Energy: 0.6130402127317977
Energy: 0.5917884844264244
Energy: 0.5822517894811549
Energy: 0.6289587435584505
Energy: 0.6005924103083261
Energy: 0.5639970990073443
Energy: 0.6339674227803479
Energy: 0.584143872426876
Energy: 0.5735172515649821
Energy: 0.5735011160593277
Energy: 0.5849113389783359
Energy: 0.5746375408645563
Energy: 0.6243876788576116
Energy: 0.5927867070912302
Energy: 0.6270646745416202
Energy: 0.6459414979531639
Energy: 0.5926503730142478
Energy: 0.5807231441670159
Energy: 0.6477829687933976
Energy: 0.6515479831000308
Energy: 0.6286177090588057
Energy: 0.6126816819578496
Energy: 0.6559820371647762
Energy: 0.5715275859155402
Energy: 0.631365898986805
Energy: 0.6518989005718453
Energy: 0.5862951401650974
Energy: 0.6033405368341411
Energy: 0.6583488828929888
Energy: 0.589223662625103
Energy: 0.646281792248409
Energy: 0.5906249604611725
Energy: 0.5763499225908132
Energy: 0.6434233509701919
Energy: 0.6423855431430017
Energy: 0.6295786037838833
Energy: 0.6017433415437076

minimum gb energy = 0.5639970990073443 eV
minimum distance =  2.54522930445998 Angstroms
sigma value = 57


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

Energy: 0.8521729779378827
Energy: 0.5165697239330731
Energy: 0.5177212734495676
Energy: 0.8532571145014949
Energy: 0.8719870697144476
Energy: 0.7182746173464006
Energy: 0.5181876442277669
Energy: 0.5614408496257237
Energy: 0.5598925786917442
Energy: 0.5694243448438114
Energy: 0.5593390658583991
Energy: 0.5966676522237099
Energy: 0.5556861609299405
Energy: 0.5428838916388854
Energy: 0.5468007096751639
Energy: 0.5550281855096411
Energy: 0.506321870377682
Energy: 0.4983579061481671
Energy: 0.4968612171009898
Energy: 0.5641305516710527
Energy: 0.5636032908869633
Energy: 0.4976626350849984
Energy: 0.5102750719085344
Energy: 0.497625370869559
Energy: 0.5093189190419434
Energy: 0.5555454998102343
Energy: 0.5564837378075722
Energy: 0.5101401340932745
Energy: 0.5543469442739261
Energy: 0.5631428651449004
Energy: 0.5085415847800743
Energy: 0.5122456204727173
Energy: 0.5087812967685519
Energy: 0.5088683144416162
Energy: 0.5139355608576709
Energy: 0.5438857087751189
Energy: 0.5110442754412603
Energy: 0.4877396952461263
Energy: 0.5956368250086467
Energy: 0.5117693012769687
Energy: 0.49231971062476526
Energy: 0.5438209463249825
Energy: 0.5653996565813336
Energy: 0.5122075752496451
Energy: 0.5958937264069258
Energy: 0.554354880944712
Energy: 0.509685828520216
Energy: 0.5417429297198124
Energy: 0.5177217743681602
Energy: 0.4976557242829034
Energy: 0.5403602118284162
Energy: 0.5178831942748273
Energy: 0.5008447784122485
Energy: 0.5434687538920614
Energy: 0.5177191443820953
Energy: 0.5583091890190447
Energy: 0.5406536029864408
Energy: 0.5177200194359471
Energy: 0.5540289909356939
Energy: 0.543524656011652
Energy: 0.5684865418683177
Energy: 0.598419206029792
Energy: 0.5664850052151642
Energy: 0.5595092194652848
Energy: 0.5002233728402788
Energy: 0.5013470317949127
Energy: 0.6315971157053806
Energy: 0.5643426312554778
Energy: 0.6008731229692362
Energy: 0.6314041333114359
Energy: 0.535349348200176
Energy: 0.49778136648345855
Energy: 0.5005923134277603
Energy: 0.5585999453566858
Energy: 0.5010087878219
Energy: 0.5017341948135411
Energy: 0.560369726091202
Energy: 0.5652011826409745
Energy: 0.508879993225916
Energy: 0.5577420852954105
Energy: 0.5586856313083457
Energy: 0.5085132289679275
Energy: 0.5573422474484802
Energy: 0.558208682784277
Energy: 0.5084132713549676
Energy: 0.4781917679297142
Energy: 0.602397118242371
Energy: 0.5094687573443852
Energy: 0.4807536575898124
Energy: 0.5443570830560546
Energy: 0.5556747431709737
Energy: 0.48362673020625313
Energy: 0.4781713510203306
Energy: 0.5552665453504265
Energy: 0.4809986573450177
Energy: 0.5008783069903042
Energy: 0.5180063425375352
Energy: 0.5044329190989553
Energy: 0.5639204753346654
Energy: 0.5179585012461247
Energy: 0.5012992358917319
Energy: 0.5969895417898364

minimum gb energy = 0.4781713510203306 eV
minimum distance =  2.57608289657225 Angstroms
sigma value = 9


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

Energy: 0.9285083165947103
Energy: 0.8048555082016463
Energy: 0.6727701108584087
Energy: 0.5700269849486419
Energy: 0.9093773279306929
Energy: 0.7000075081663371
Energy: 0.5897474427219407
Energy: 0.5937244742423736
Energy: 0.5890169461205507
Energy: 0.6057350689321686
Energy: 0.5873602891833867
Energy: 0.5986327050881577
Energy: 0.6130324525618335
Energy: 0.6064225962509009
Energy: 0.5906766020103608
Energy: 0.6109818136273971
Energy: 0.6281974646824657
Energy: 0.6108635116719049
Energy: 0.5612211041284928
Energy: 0.5976205043619702
Energy: 0.585450974781608
Energy: 0.560174263353275
Energy: 0.5806730466253699
Energy: 0.5866831092821091
Energy: 0.5927321596729698
Energy: 0.5952927555834155
Energy: 0.5852261567391137
Energy: 0.5937500231342916
Energy: 0.5996752906245756
Energy: 0.6166008057952083
Energy: 0.5452467438381151
Energy: 0.5940577726937272
Energy: 0.5754094954855014
Energy: 0.5457531285340743
Energy: 0.5929136024136491
Energy: 0.57565618799083
Energy: 0.6424999767703529
Energy: 0.5927191790999533
Energy: 0.5576260313372693
Energy: 0.6435115277103828
Energy: 0.5948263890783196
Energy: 0.5710205526086379
Energy: 0.5906800229094971
Energy: 0.5704454227833495
Energy: 0.570769843030702
Energy: 0.5756921441353646
Energy: 0.5630000092244467
Energy: 0.5594755338789175
Energy: 0.580789576028402
Energy: 0.5918296765259735
Energy: 0.5832947217769662
Energy: 0.5792778484012843
Energy: 0.592064665429737
Energy: 0.5720419555034391
Energy: 0.5853174751805171
Energy: 0.5692994588114657
Energy: 0.5615683515299548
Energy: 0.5822056641511865
Energy: 0.5670159609068942
Energy: 0.5690820842055173
Energy: 0.5890032374319394
Energy: 0.5575704913354801
Energy: 0.5927701603266377
Energy: 0.5866857596777917
Energy: 0.5508825968412057
Energy: 0.6018203053353797
Energy: 0.5941183501938961
Energy: 0.5910730357737574
Energy: 0.6147573351957457
Energy: 0.5815944222104664
Energy: 0.5813102488216476
Energy: 0.6251566405280037
Energy: 0.6628911962917379
Energy: 0.5578458609244275
Energy: 0.5610401637502205
Energy: 0.5979327258379403
Energy: 0.5681910006660155
Energy: 0.6347385886663823
Energy: 0.6053384420193694
Energy: 0.6047181883575173
Energy: 0.6078563460895477
Energy: 0.6059135769622525
Energy: 0.6080945041828617
Energy: 0.578306702203017
Energy: 0.6455673639312942
Energy: 0.5680197646449788
Energy: 0.5675694487149568
Energy: 0.6323082852285482
Energy: 0.5793991900500401
Energy: 0.5806042181591128
Energy: 0.6372508114917066
Energy: 0.5847474329672295
Energy: 0.6028073287119192
Energy: 0.63773813926232
Energy: 0.5829841744872868
Energy: 0.5718237081426365
Energy: 0.5724511104369643
Energy: 0.6115555934375551
Energy: 0.6092395946112694
Energy: 0.5677272063062598
Energy: 0.6181211851082125
Energy: 0.5990731160216436
Energy: 0.679142861459165
Energy: 0.5814565379872343
Energy: 0.6115919998853586
Energy: 0.679811029280739
Energy: 0.5783419578401295
Energy: 0.6481436671466665
Energy: 0.5722395431533346
Energy: 0.6089377163273875
Energy: 0.5981963153010749
Energy: 0.573300417701013
Energy: 0.603333957172779
Energy: 0.6196147735783342
Energy: 0.6191904231272167
Energy: 0.6106396244449747
Energy: 0.5849171387388709
Energy: 0.611739071936938
Energy: 0.6134660138060226
Energy: 0.6103437443581023
Energy: 0.5633927274380213
Energy: 0.5668845956172459
Energy: 0.5625516316690418
Energy: 0.5689441462999033
Energy: 0.5658379460637152
Energy: 0.579596862007884

minimum gb energy = 0.5452467438381151 eV
minimum distance =  2.54704468791297 Angstroms
sigma value = 27


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

Energy: 0.5616458932019723
Energy: 0.6179594838889754
Energy: 0.5476350157155792
Energy: 0.5631624810503985
Energy: 0.7389698383543036
Energy: 0.6089003654209039
Energy: 0.5476244086182973
Energy: 0.5625486055083454
Energy: 0.580460164486689
Energy: 0.5764988876040212
Energy: 0.56196622935866
Energy: 0.5987332352278137
Energy: 0.5790197608959916
Energy: 0.6161776914680059
Energy: 0.6164042530501743
Energy: 0.582598558301366
Energy: 0.5667341307628463
Energy: 0.6179862810261615
Energy: 0.5639085812815927
Energy: 0.5858479249557931
Energy: 0.5832468214936419
Energy: 0.5647793347591112
Energy: 0.5849419842073499
Energy: 0.5806736803304516
Energy: 0.5690892683331449
Energy: 0.5630838668540165
Energy: 0.566534262760443
Energy: 0.569889914561989
Energy: 0.5611756862959703
Energy: 0.6217357735641202
Energy: 0.5547117140965974
Energy: 0.5780236691480429
Energy: 0.577306608774718
Energy: 0.5667764095082088
Energy: 0.5599702246845786
Energy: 0.6041509620424227
Energy: 0.5488848263452385
Energy: 0.5673198111851128
Energy: 0.5998123888721816
Energy: 0.549633181726222
Energy: 0.5660827739333382
Energy: 0.5872919511889728
Energy: 0.5712114186420573
Energy: 0.5598958445657731
Energy: 0.5616811066118492
Energy: 0.5604007462937021
Energy: 0.5594970638244952
Energy: 0.5801696821429426
Energy: 0.6045803884458244
Energy: 0.5841691412191963
Energy: 0.5851406642401434
Energy: 0.6013375229332749
Energy: 0.5824833115393274
Energy: 0.5788919928932145
Energy: 0.5860118538914867
Energy: 0.5689193486756711
Energy: 0.6008685478642989
Energy: 0.5619998613490441
Energy: 0.5662292938276805
Energy: 0.5828121413909452
Energy: 0.569584621418521
Energy: 0.6048749329004364
Energy: 0.606334797450364
Energy: 0.5595022231465445
Energy: 0.5615808299217767
Energy: 0.621601916582468
Energy: 0.5727530189358869
Energy: 0.5651026339684296
Energy: 0.6074204936765247
Energy: 0.5604913974024699
Energy: 0.555529914749151
Energy: 0.5786830969136664
Energy: 0.5678600378768646
Energy: 0.5504593800024743
Energy: 0.5602573572109225
Energy: 0.5693049830567206
Energy: 0.5487700505051283
Energy: 0.6010829277168365
Energy: 0.5598100273091874
Energy: 0.5625715330976729
Energy: 0.5663111588178416
Energy: 0.5600140591999307
Energy: 0.5603430799782182
Energy: 0.6024324158882698
Energy: 0.5907581880211153
Energy: 0.5788674515551808
Energy: 0.5838736180285715
Energy: 0.5808025879162731
Energy: 0.587890566300103
Energy: 0.5814195205331406
Energy: 0.5663656589069209
Energy: 0.5792420760595998
Energy: 0.5774906008714937
Energy: 0.5670985813474487
Energy: 0.5723199538300777
Energy: 0.5997372631458145
Energy: 0.569410912918395
Energy: 0.562664483619725
Energy: 0.5665885294451638
Energy: 0.5708091004271908
Energy: 0.560725586283137
Energy: 0.6159601384687305
Energy: 0.5547481822349738
Energy: 0.5616092982844786
Energy: 0.5652299797980394
Energy: 0.5632067231301183
Energy: 0.5595078284823769
Energy: 0.6085596006477378
Energy: 0.5443112484046714
Energy: 0.5928230532454233
Energy: 0.5992919449401627
Energy: 0.5450811648425643
Energy: 0.5915870541754512
Energy: 0.5891013306359163
Energy: 0.5708424249431118
Energy: 0.5929286362711451
Energy: 0.5994845748010552
Energy: 0.5616844035030031
Energy: 0.5916131141360463
Energy: 0.5893508170561341
Energy: 0.5704260257877601
Energy: 0.5826790317846492
Energy: 0.5664874833603888
Energy: 0.5892676511035716
Energy: 0.5803652931292667
Energy: 0.5821775824838029
Energy: 0.5587893786814662
Energy: 0.5656369699358779
Energy: 0.5657506858931899
Energy: 0.559429411900604
Energy: 0.5702199360747452
Energy: 0.6172946011696612
Energy: 0.5738759200913813
Energy: 0.5990325510484867
Energy: 0.5983780065253226
Energy: 0.5619487692622118
Energy: 0.5619850827586452
Energy: 0.6001314364431438
Energy: 0.5695139396057379
Energy: 0.588302199400318
Energy: 0.6330891480999302
Energy: 0.5608539309447025
Energy: 0.5648218661299734
Energy: 0.6309741499595545
Energy: 0.5599487272075605
Energy: 0.5538443306356287
Energy: 0.5790549731608909
Energy: 0.5602042492836128
Energy: 0.5444650222892771
Energy: 0.6023793017463179

minimum gb energy = 0.5443112484046714 eV
minimum distance =  2.59802045666894 Angstroms
sigma value = 19


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

Energy: 0.8463681875970847
Energy: 0.8101738050932047
Energy: 0.7412963382542513
Energy: 0.7265106726181881
Energy: 0.9089712813206781
Energy: 0.7390043968910182
Energy: 0.6328858298276664
Energy: 0.5849406507385785
Energy: 0.5827146640200829
Energy: 0.6370167462191245
Energy: 0.5872927577846933
Energy: 0.6175112194106692
Energy: 0.6189272536781957
Energy: 0.6563220645628219
Energy: 0.6840095016380678
Energy: 0.6196671172173991
Energy: 0.6409309473605578
Energy: 0.6383231436880513
Energy: 0.5913770651995816
Energy: 0.6148191073711983
Energy: 0.6374951124107924
Energy: 0.5923116070255371
Energy: 0.59301766211259
Energy: 0.6344034732894971
Energy: 0.5851073144137015
Energy: 0.6189723422005321
Energy: 0.6288538600188817
Energy: 0.5862028687284787
Energy: 0.6246811813048629
Energy: 0.6281897913379655
Energy: 0.582122838070149
Energy: 0.6377898852164094
Energy: 0.628813414957078
Energy: 0.5845484034686358
Energy: 0.6371069953636543
Energy: 0.5963779611673639
Energy: 0.6841531942780105
Energy: 0.7049230169525208
Energy: 0.7110975696399121
Energy: 0.6840652572754928
Energy: 0.6853599080874315
Energy: 0.5879680061139724
Energy: 0.6282323780258847
Energy: 0.6289627890810764
Energy: 0.5870161326889322
Energy: 0.62044309593029
Energy: 0.6158654878377723
Energy: 0.5861917063854686
Energy: 0.5873849985710038
Energy: 0.6450209895962558
Energy: 0.6327605460183514
Energy: 0.588226668589404
Energy: 0.6419828558855296
Energy: 0.6460562195900733
Energy: 0.5894913670293996
Energy: 0.5983697761477769
Energy: 0.6246487390610298
Energy: 0.5886252499967175
Energy: 0.5998696026304685
Energy: 0.6271417337271816
Energy: 0.6115126372259168
Energy: 0.7097358559500337
Energy: 0.6479234356604305
Energy: 0.6119674952945885
Energy: 0.70984125994521
Energy: 0.6066767662551635
Energy: 0.6219751244260989
Energy: 0.5877794323900372
Energy: 0.6108570178927959
Energy: 0.6083342764827159
Energy: 0.5813006474251451
Energy: 0.6279783797948482
Energy: 0.7076623324896927
Energy: 0.6007671213978815
Energy: 0.5928015966461874
Energy: 0.702660738099765
Energy: 0.6014037551842939
Energy: 0.601333787716858
Energy: 0.5949885130546777
Energy: 0.5780279857944021
Energy: 0.585844793691398
Energy: 0.5932707762975776
Energy: 0.5834481925504849
Energy: 0.5983032435270157
Energy: 0.6266558051450452
Energy: 0.5786877130179591
Energy: 0.6094926617780756
Energy: 0.6215044445678272
Energy: 0.5663375949696253
Energy: 0.6349805531700765
Energy: 0.6067954860609771
Energy: 0.5607441811334637
Energy: 0.6050885101727518
Energy: 0.6032284128831783
Energy: 0.5664884075937339
Energy: 0.6148824065325881
Energy: 0.7018529248195259
Energy: 0.5780117611469158
Energy: 0.5872052195158581
Energy: 0.6917890723059711
Energy: 0.5818003180433037
Energy: 0.5901187621546974
Energy: 0.5882262428331274
Energy: 0.5899886022604095
Energy: 0.5918689669583934
Energy: 0.5916863883057525
Energy: 0.5893410628589147
Energy: 0.6161021390966835
Energy: 0.6107195271504647
Energy: 0.5992790067611359
Energy: 0.6336711382624172
Energy: 0.6106091413483506
Energy: 0.6215406791803907
Energy: 0.5909797151431918
Energy: 0.5748662029491126
Energy: 0.6108580808372934
Energy: 0.6348732447817984
Energy: 0.5751665722721606
Energy: 0.6084139870385014
Energy: 0.5951155727077918
Energy: 0.5615417424256898
Energy: 0.6047062256544902
Energy: 0.6082542307185291
Energy: 0.5625055229718485
Energy: 0.6069378567506406
Energy: 0.6339535434094825
Energy: 0.5650931880127641
Energy: 0.6101059500551379
Energy: 0.6312904773323984
Energy: 0.5662925148456964
Energy: 0.6118452244516652
Energy: 0.6134778426074188
Energy: 0.5774340822786039
Energy: 0.627063664015345
Energy: 0.6390856387777191
Energy: 0.577425467702453
Energy: 0.6236486422960574
Energy: 0.5718102654175257
Energy: 0.5865268717004383
Energy: 0.5926368338002664
Energy: 0.6108362599201907
Energy: 0.586019634656296
Energy: 0.6070570566814043
Energy: 0.5761387186824636
Energy: 0.5738489421334216
Energy: 0.6114596108009089
Energy: 0.6091951574741167
Energy: 0.5748520275807534
Energy: 0.6057807307263765
Energy: 0.6292692663540128
Energy: 0.6501605073196065
Energy: 0.5867315009079814
Energy: 0.5901784353419302
Energy: 0.606045937661884
Energy: 0.5890593410688697
Energy: 0.5960165657852575
Energy: 0.5960923294809352
Energy: 0.5961471843542894
Energy: 0.6306199018617619
Energy: 0.5969226358538624
Energy: 0.5846127732968227
Energy: 0.6275346586358254
Energy: 0.6264435890578707
Energy: 0.6011804739062923
Energy: 0.6308808297810872
Energy: 0.6428192653449855
Energy: 0.5793093178580366
Energy: 0.6377210409657366
Energy: 0.59604279224139
Energy: 0.5930218011593464
Energy: 0.5934960461620203
Energy: 0.5969049224680858
Energy: 0.5932206045424231
Energy: 0.602026469677521

minimum gb energy = 0.5607441811334637 eV
minimum distance =  2.58979609594852 Angstroms
sigma value = 101


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

Energy: 0.8308821892777418
Energy: 0.785553296385275
Energy: 0.7845981208332002
Energy: 0.8320822148653714
Energy: 0.8897585531064854
Energy: 0.6758744646981631
Energy: 0.601573894821073
Energy: 0.558003896658781
Energy: 0.5566989720500928
Energy: 0.6395652995028988
Energy: 0.5674687494934618
Energy: 0.6151440466523027
Energy: 0.628008549923543
Energy: 0.5847772579959738
Energy: 0.6192768783062621
Energy: 0.6320314134516046
Energy: 0.6640319081577636
Energy: 0.6348185164398559
Energy: 0.5731022272050167
Energy: 0.6146266749586067
Energy: 0.6330276505385839
Energy: 0.5929095453447253
Energy: 0.5628444897765965
Energy: 0.61644447350829
Energy: 0.5579617328567064
Energy: 0.630193348835775
Energy: 0.636336486705255
Energy: 0.5593262452583707
Energy: 0.6305823328121433
Energy: 0.6574761538022895
Energy: 0.5615634036333085
Energy: 0.6466086029484205
Energy: 0.6130405415118533
Energy: 0.5628875926291304
Energy: 0.646476700659882
Energy: 0.5759235229204205
Energy: 0.7296205225367005
Energy: 0.676922082274353
Energy: 0.6792454658798073
Energy: 0.7293879800984553
Energy: 0.7121530769061146
Energy: 0.6764557762456106
Energy: 0.6024153694746075
Energy: 0.6232743320781444
Energy: 0.5763244596974335
Energy: 0.5794944421266117
Energy: 0.5877951631052167
Energy: 0.5761337545014543
Energy: 0.547755699009862
Energy: 0.6433742556713482
Energy: 0.6346943343428609
Energy: 0.5513134403195322
Energy: 0.6497623202033378
Energy: 0.6218138040908726
Energy: 0.5609421654733768
Energy: 0.612521447252693
Energy: 0.6050334537530222
Energy: 0.5609852260137926
Energy: 0.5950760957363339
Energy: 0.609945849008797
Energy: 0.625449323715638
Energy: 0.5939812751861898
Energy: 0.6123025613519327
Energy: 0.6256176612674345
Energy: 0.7615331650696712
Energy: 0.5850484246998472
Energy: 0.5804914761059117
Energy: 0.6093373084572455
Energy: 0.6183688802476563
Energy: 0.581553372229217
Energy: 0.5900809648364542
Energy: 0.617160763243199
Energy: 0.6575185710376007
Energy: 0.6750064105034284
Energy: 0.616762588429209
Energy: 0.5809186553443768
Energy: 0.6763249607864723
Energy: 0.5858890233545547
Energy: 0.5599971672158812
Energy: 0.5867886757202249
Energy: 0.5909997148152918
Energy: 0.54769806084023
Energy: 0.5846862742650882
Energy: 0.6118638611293069
Energy: 0.6332510067833491
Energy: 0.580356190767544
Energy: 0.5950471230303083
Energy: 0.610722797304017
Energy: 0.545799469383053
Energy: 0.6332992018832169
Energy: 0.6447439391335433
Energy: 0.5432374328679369
Energy: 0.6057014187413269
Energy: 0.6401955739988985
Energy: 0.5492872638731306
Energy: 0.6129438480949769
Energy: 0.8226501550156755
Energy: 0.5726090082624155
Energy: 0.5944978173875634
Energy: 0.7641143797035047
Energy: 0.5787862042548718
Energy: 0.6378015878391154
Energy: 0.6013270468189335
Energy: 0.5530781952425932
Energy: 0.5539000724924321
Energy: 0.6013457869976804
Energy: 0.5575042275078506
Energy: 0.6077250857299177
Energy: 0.6370943021649177
Energy: 0.61338098717671
Energy: 0.6117002439130577
Energy: 0.6335797026327376
Energy: 0.5770430324849268
Energy: 0.6146356523499366
Energy: 0.5833973052129429
Energy: 0.608788449499804
Energy: 0.6266623511540862
Energy: 0.5843275166769053
Energy: 0.5502588364379924
Energy: 0.6161436568657074
Energy: 0.5597185633702889
Energy: 0.6421467710547133
Energy: 0.6078508799360247
Energy: 0.5611251985448903
Energy: 0.6400429319909227
Energy: 0.6404532232321829
Energy: 0.5593772006467701
Energy: 0.6454722766847408
Energy: 0.6207111509922072
Energy: 0.560565731003639
Energy: 0.6441363713984418
Energy: 0.6066574977995901
Energy: 0.6083486102870284
Energy: 0.676925634426821
Energy: 0.6744520393879107
Energy: 0.6076170477298679
Energy: 0.6137584852936082
Energy: 0.65749852787564
Energy: 0.5790282294662784
Energy: 0.6084903736940518
Energy: 0.6135832836572656
Energy: 0.5700128321475052
Energy: 0.5933761845262163
Energy: 0.5499926303576752
Energy: 0.556120011298558
Energy: 0.6295314860036693
Energy: 0.6253479009946278
Energy: 0.5437114870759601
Energy: 0.6566990564224534
Energy: 0.6137044562778738
Energy: 0.5461975876000569
Energy: 0.6151410277121458
Energy: 0.6204449160356992
Energy: 0.5458855775388953
Energy: 0.6091799975674788
Energy: 0.6163243431757882
Energy: 0.5759482170809123
Energy: 0.592706222838069
Energy: 0.6017656423447875
Energy: 0.593057943202325
Energy: 0.591166864137067
Energy: 0.5868265103363041
Energy: 0.5813794737920542
Energy: 0.5933367420710729
Energy: 0.5924533199735291
Energy: 0.5812185174099045
Energy: 0.5522377442352212
Energy: 0.583730868407097
Energy: 0.5799827856996199
Energy: 0.588277849777163
Energy: 0.5846830651882123
Energy: 0.5800128052376817
Energy: 0.5877984745597998
Energy: 0.6154527230357305
Energy: 0.6514273626895478
Energy: 0.5847191593899574
Energy: 0.5868412349471923
Energy: 0.5813960041334406
Energy: 0.6369406862178236
Energy: 0.5908959418768882
Energy: 0.5948401898497954
Energy: 0.5465281893917647
Energy: 0.5881471616132397
Energy: 0.5957602342649078
Energy: 0.5449711992138826
Energy: 0.618889124025721
Energy: 0.6480695078109114
Energy: 0.5434877004741061
Energy: 0.5775054189252024
Energy: 0.6398217583580607
Energy: 0.5438851687430364
Energy: 0.6249668505961496
Energy: 0.6318199902709407
Energy: 0.5770651612358719
Energy: 0.5841526681781811
Energy: 0.5404083574135875
Energy: 0.5798576073740315
Energy: 0.6032915983257834

minimum gb energy = 0.5404083574135875 eV
minimum distance =  2.60746427497998 Angstroms
sigma value = 33


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

Energy: 0.011682357040155019
Energy: 0.012503341502988633
Energy: 0.012246768398256154
Energy: 0.013474004924415757
Energy: 0.5388801412152247
Energy: 0.012314285054470336
Energy: 0.012641580029454567
Energy: 0.07835700237348628
Energy: 0.07657022109171936
Energy: 0.07821495787313541
Energy: 0.07791196199335199
Energy: 0.07647386706433223
Energy: 0.8343602179024127
Energy: 0.538257729933356
Energy: 0.5383174974147725
Energy: 0.5392676216341531
Energy: 0.6715805439432576
Energy: 0.5383977914063923
Energy: 0.3711730161292281
Energy: 0.07835700237383963
Energy: 0.076570221091366
Energy: 0.07821495787348877
Energy: 0.07791196199370534
Energy: 0.07647386706433223

minimum gb energy = 0.011682357040155019 eV
minimum distance =  2.82774899728682 Angstroms
sigma value = 1