Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050000071525574
cohesive_energy=3.360264240729233
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6808435067293999e-19, 2.3534532794489397e-19, 2.86969061269008e-19, 3.26733483148254e-19, 3.5886833989639197e-19, 3.86874387458712e-19, 4.1120504182263594e-19, 4.3076441417050794e-19, 4.4647856259678e-19, 4.59763811245908e-19, 4.71501357266592e-19, 4.82099755700502e-19, 4.916855785017239e-19, 5.00278051789866e-19, 5.07936456100386e-19, 5.1471526543884e-19, 5.20632103748202e-19, 5.25683766675204e-19, 5.29857436806774e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.3711369478216e-19, 5.355083137948919e-19, 5.3315631849618e-19, 5.29905502105794e-19, 5.25510731598732e-19, 5.19590688936102e-19, 5.116294732417559e-19, 5.010983662264739e-19, 4.8759842590839e-19, 4.70910154088646e-19, 4.50775600329168e-19, 4.26694885520148e-19, 3.9780764080912797e-19, 3.6270074640491994e-19, 3.1920966167499e-19, 2.64586653692028e-19, 1.9631950949392198e-19, 1.1272962862123018e-19, 9.6846770995398e-21, -1.2084962002000559e-19, -2.82957210977472e-19, -4.77051297126768e-19, -7.17836014744092e-19, -1.04407442531244e-18, -1.517576901194898e-18, -2.23651040693328e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -4.3766955338e-11 eV

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

Energy: 0.010324785416107245
Energy: 0.05087104584170122
Energy: 0.3249811831526485
Energy: 0.011057850405374024
Energy: 0.05087104584170122
Energy: 0.40175043105113567
Energy: 0.05087104584170122
Energy: 0.40175043105066377
Energy: 0.3249811831521488
Energy: 0.05087104584220094
Energy: 0.010324785416107245
Energy: 0.05087104584170122
Energy: 0.011057850405374024
Energy: 0.40175043105016395
Energy: 0.05087104584170122
Energy: 0.40175043105066377

minimum gb energy = 0.010324785416107245 eV
minimum distance =  2.82850160844072 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.6658230151820059
Energy: 0.5215595448963549
Energy: 0.5224595533162554
Energy: 0.4748624042380514
Energy: 0.473510905056132
Energy: 0.5119411512866442
Energy: 0.4741537296966135
Energy: 0.5119411512872503
Energy: 0.5216495972752826
Energy: 0.5213299793620422
Energy: 0.7283408634389318
Energy: 0.5213299793620422
Energy: 0.47407245846950913
Energy: 0.47287730427958896
Energy: 0.47402407172130406
Energy: 0.47287730427958896
Energy: 0.6203794843716522
Energy: 0.4733105970080549
Energy: 0.47469110415011967
Energy: 0.4733105970086609
Energy: 0.49557404430004165
Energy: 0.48125648233671425
Energy: 0.4823761929019516
Energy: 0.48125648233610824
Energy: 0.4923925019616279
Energy: 0.5007806866701744
Energy: 0.6187470630428203
Energy: 0.5007806866701744
Energy: 0.4902426315762163
Energy: 0.48870741755115543
Energy: 0.5135118938000393
Energy: 0.48870741755115543
Energy: 0.540817632593983
Energy: 0.5205518149277109
Energy: 0.5054495732916203
Energy: 0.5205518149283167
Energy: 0.5106877801544208
Energy: 0.5138336290489343
Energy: 0.4895733474280519
Energy: 0.5138336290477221
Energy: 0.4879561001223191
Energy: 0.5204322991278227
Energy: 0.5405526242738208
Energy: 0.5204322991272167
Energy: 0.4899420989853223
Energy: 0.5220063023947377
Energy: 0.512873991978795
Energy: 0.5220063023953437
Energy: 0.49027219582677145
Energy: 0.5004809990223311
Energy: 0.4854014621575714
Energy: 0.500480999021725
Energy: 0.4959403507270945
Energy: 0.4991979603493178
Energy: 0.4982168599737381
Energy: 0.49919796035052993
Energy: 0.4847440553488734
Energy: 0.4727845928018841
Energy: 0.47295028828930075
Energy: 0.4727845928024902
Energy: 0.4927350105338565
Energy: 0.47310629871769777
Energy: 0.47262761692390465
Energy: 0.4731062987183039
Energy: 0.5220542598148871
Energy: 0.5218706718443218
Energy: 0.47588285051503365
Energy: 0.5218706718455337
Energy: 0.47375348266012546
Energy: 0.47537966392927433
Energy: 0.4716721969678197
Energy: 0.47537966392927433
Energy: 0.481634701022402
Energy: 0.5215193326590484
Energy: 0.5232118015671802
Energy: 0.5215193326590484
Energy: 0.49451099899310935
Energy: 0.4748418221805052
Energy: 0.4747788383611564
Energy: 0.4748418221817172
Energy: 0.475100995109585
Energy: 0.47348542110970415
Energy: 0.48783281749430824
Energy: 0.47348542110970415
Energy: 0.4817990262332088
Energy: 0.4747690447506568
Energy: 0.4953780914655071
Energy: 0.4747690447506568
Energy: 0.48767502695904
Energy: 0.5008939535807477
Energy: 0.49343445962766846
Energy: 0.5008939535813538
Energy: 0.5121664667689343
Energy: 0.49881940768566374
Energy: 0.48969831767565275
Energy: 0.49881940768505767
Energy: 0.5056658167703989
Energy: 0.5216619499103764
Energy: 0.541096226767717
Energy: 0.5216619499109826
Energy: 0.4904217413824306
Energy: 0.5201034149866369
Energy: 0.5115268625885309
Energy: 0.5201034149866369
Energy: 0.5409716846164611
Energy: 0.5213730044619309
Energy: 0.4876638398702702
Energy: 0.5213730044619309
Energy: 0.5113899252669377
Energy: 0.5210447230967881
Energy: 0.4890338915022562
Energy: 0.5210447230967881
Energy: 0.4853419257009283
Energy: 0.500720580150778
Energy: 0.4900826615834147
Energy: 0.500720580150172
Energy: 0.4980721194568183
Energy: 0.5005349326292783
Energy: 0.495948084375924
Energy: 0.5005349326292783
Energy: 0.4723519277269835
Energy: 0.47283944210750123
Energy: 0.4851844252907786
Energy: 0.47283944210750123
Energy: 0.47287213292055047
Energy: 0.4726588271246019
Energy: 0.49245976736025177
Energy: 0.47265882712338975
Energy: 0.4762156137349225
Energy: 0.5246546976307139
Energy: 0.522577939374976
Energy: 0.52465469763132

minimum gb energy = 0.4716721969678197 eV
minimum distance =  2.59102253901723 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.7650042793298033
Energy: 0.5409128633083777
Energy: 0.5411465307451734
Energy: 0.4889666389791344
Energy: 0.48902309603443633
Energy: 0.5291529934769849
Energy: 0.48865197117620496
Energy: 0.5291529934762939
Energy: 0.5422048942929439
Energy: 0.5416373864488152
Energy: 0.6996083689834106
Energy: 0.5416373864488152
Energy: 0.49077112843819554
Energy: 0.5472067587890123
Energy: 0.4885573194134247
Energy: 0.5472067587855572
Energy: 0.49976466225966626
Energy: 0.4890604947953248
Energy: 0.4886874007397196
Energy: 0.4890604947939428
Energy: 0.5168252637072722
Energy: 0.4974112135917312
Energy: 0.49696922397179166
Energy: 0.4974112135931133
Energy: 0.5154090679987549
Energy: 0.5242489784151384
Energy: 0.5867848346309469
Energy: 0.5242489784179024
Energy: 0.5047606756642453
Energy: 0.5318998052153201
Energy: 0.5323287377289571
Energy: 0.5318998052111741
Energy: 0.5864514795042335
Energy: 0.5467740182768542
Energy: 0.5405500665613288
Energy: 0.5467740182768542
Energy: 0.5327115838273967
Energy: 0.5415549559188854
Energy: 0.5059480503410679
Energy: 0.5415549559216495
Energy: 0.503785497502831
Energy: 0.5228036919630572
Energy: 0.5160416056693499
Energy: 0.5228036919651302
Energy: 0.5178423380523479
Energy: 0.5229806898611251
Energy: 0.5166203702095565
Energy: 0.5229806898590521
Energy: 0.4889638957343646
Energy: 0.48842590428763283
Energy: 0.5029825930363665
Energy: 0.48842590428417787
Energy: 0.4883578498529493
Energy: 0.48838543500595705
Energy: 0.5094635064355172
Energy: 0.488385435006648
Energy: 0.48597582676751927
Energy: 0.5464771169619247
Energy: 0.5423288448648887
Energy: 0.5464771169619247
Energy: 0.4902458262047641
Energy: 0.49084638588752016
Energy: 0.48841234374143766
Energy: 0.49084638589508983
Energy: 0.5426230385404808
Energy: 0.5413867577784024
Energy: 0.4992836358318656
Energy: 0.5413867577804754
Energy: 0.49032247225391395
Energy: 0.49004431820527977
Energy: 0.5168840991341761
Energy: 0.49004431820392924
Energy: 0.4990862283269522
Energy: 0.48786851572119333
Energy: 0.49011138559830275
Energy: 0.48786851572257534
Energy: 0.5169780338518283
Energy: 0.48947114670999325
Energy: 0.49852766245493096
Energy: 0.48947114670861125
Energy: 0.5162248714861357
Energy: 0.5221771019145625
Energy: 0.5865159321496833
Energy: 0.5221771019131803
Energy: 0.5046335595505524
Energy: 0.5222667107688267
Energy: 0.5334061518630802
Energy: 0.5222667107667538
Energy: 0.5869452287981529
Energy: 0.5460924354951396
Energy: 0.5404277457219729
Energy: 0.5460924354958308
Energy: 0.532629825849185
Energy: 0.5462503440346562
Energy: 0.505866581644523
Energy: 0.5462503440332741
Energy: 0.5034545282817107
Energy: 0.5228186868753439
Energy: 0.5157828121654218
Energy: 0.5228186868718889
Energy: 0.5171647428449445
Energy: 0.5230774615212395
Energy: 0.5163958684819161
Energy: 0.5230774615260764
Energy: 0.4883511953647412
Energy: 0.48861220262385113
Energy: 0.5028312886175372
Energy: 0.4886122026217782
Energy: 0.48859465616652326
Energy: 0.4881869339661926
Energy: 0.5098631064983212
Energy: 0.4881869339675747
Energy: 0.48569457324352544
Energy: 0.5464246320306699
Energy: 0.5409989867566862
Energy: 0.546424632036889

minimum gb energy = 0.48569457324352544 eV
minimum distance =  2.5894702152842 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.7294117058507646
Energy: 0.5610485936859196
Energy: 0.5610371402272791
Energy: 0.5004116014765037
Energy: 0.5036361297248698
Energy: 0.5439846524580604
Energy: 0.5037592066757614
Energy: 0.5439846524580604
Energy: 0.5606854389978828
Energy: 0.5614910164008752
Energy: 0.6599787870491051
Energy: 0.5614910164008752
Energy: 0.5070699010750566
Energy: 0.5439557362880091
Energy: 0.5043300217733194
Energy: 0.5439557362880091
Energy: 0.5119064306293952
Energy: 0.5034820120282407
Energy: 0.504907128376084
Energy: 0.5034820120282407
Energy: 0.5400977375771076
Energy: 0.5048368637016818
Energy: 0.5125803646229241
Energy: 0.5048368637008784
Energy: 0.5487243725205688
Energy: 0.5504027878671598
Energy: 0.5505535917606027
Energy: 0.5504027878671598
Energy: 0.5233114538138892
Energy: 0.5610634708560321
Energy: 0.554616107497165
Energy: 0.5610634708560321
Energy: 0.5513526215173312
Energy: 0.5506817290724548
Energy: 0.5882039483857718
Energy: 0.5506817290716516
Energy: 0.5399915464067939
Energy: 0.5506003476287745
Energy: 0.512230514126518
Energy: 0.5506003476287745
Energy: 0.4960223322759613
Energy: 0.5039174952088852
Energy: 0.5050529222870644
Energy: 0.5039174952080819
Energy: 0.5262453130990176
Energy: 0.503730519473406
Energy: 0.5039023142103651
Energy: 0.503730519473406
Energy: 0.5603112658304203
Energy: 0.5699936043418327
Energy: 0.4962989505059407
Energy: 0.5699936043418327
Energy: 0.504237272369566
Energy: 0.5068540616722251
Energy: 0.5103615954670206
Energy: 0.5068540616722251
Energy: 0.516705028714578
Energy: 0.5613813471528152
Energy: 0.5624163369233628
Energy: 0.5613813471528152
Energy: 0.5395116220177368
Energy: 0.5666337031401579
Energy: 0.5076646934322225
Energy: 0.5666337031401579
Energy: 0.5047388523332093
Energy: 0.5036305745117631
Energy: 0.5143629146059415
Energy: 0.5036305745117631
Energy: 0.5045594699485457
Energy: 0.504351262272722
Energy: 0.5391871904429562
Energy: 0.5043512622735252
Energy: 0.5505988425796884
Energy: 0.550433016131253
Energy: 0.5256942759642401
Energy: 0.550433016131253
Energy: 0.5558141954979493
Energy: 0.5504458434603317
Energy: 0.5259302685577588
Energy: 0.5504458434603317
Energy: 0.5835887762621598
Energy: 0.5505461964906447
Energy: 0.5512895956844248
Energy: 0.5505461964906447
Energy: 0.5214190580796595
Energy: 0.5519848089705196
Energy: 0.5400891335198028
Energy: 0.551984808971323
Energy: 0.504526843795975
Energy: 0.5035424600960987
Energy: 0.4962979148453699
Energy: 0.5035424600960987
Energy: 0.5038100263663722
Energy: 0.5043550935566601
Energy: 0.5264024582172255
Energy: 0.5043550935566601
Energy: 0.49604089163265885
Energy: 0.5683947311643495
Energy: 0.56122800219989
Energy: 0.5683947311643495

minimum gb energy = 0.4960223322759613 eV
minimum distance =  2.59030121947236 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.6760659807855013
Energy: 0.5778387276791144
Energy: 0.5777964722866207
Energy: 0.5052686319290272
Energy: 0.5209423632770144
Energy: 0.5532213022885727
Energy: 0.5203609962435124
Energy: 0.5532213022876143
Energy: 0.5779782806431648
Energy: 0.5775868847469287
Energy: 0.5224183286704187
Energy: 0.5775868847459704
Energy: 0.5252966415699428
Energy: 0.5531422409350565
Energy: 0.520815742815787
Energy: 0.55314224093314
Energy: 0.6066736715011078
Energy: 0.5207113753215402
Energy: 0.5227508925098832
Energy: 0.5207113753196237
Energy: 0.5716339051538987
Energy: 0.5209887360069341
Energy: 0.5282086712007603
Energy: 0.5209887360078923
Energy: 0.5422271745002238
Energy: 0.5759576897018109
Energy: 0.5395129696896908
Energy: 0.5759576897018109
Energy: 0.5285767292573613
Energy: 0.57644197978933
Energy: 0.5887023545430282
Energy: 0.5764419797922048
Energy: 0.5207806686161353
Energy: 0.5205153406033777
Energy: 0.500242238320297
Energy: 0.5205153406033777
Energy: 0.5206206820574666
Energy: 0.520444606557529
Energy: 0.49997102715726416
Energy: 0.5204446065584871
Energy: 0.4993876736329189
Energy: 0.5779897446198383
Energy: 0.587659029353674
Energy: 0.5779897446207966
Energy: 0.5401186560809734
Energy: 0.5252885210980879
Energy: 0.5205539038641619
Energy: 0.5252885210990461
Energy: 0.5784848593353028
Energy: 0.5778529370068266
Energy: 0.5248300982233193
Energy: 0.5778529370058684
Energy: 0.5250793426659777
Energy: 0.5530609956355339
Energy: 0.5698599926386172
Energy: 0.5530609956326592
Energy: 0.539245067974488
Energy: 0.5204582161807564
Energy: 0.5203877621587889
Energy: 0.5204582161797981
Energy: 0.5715224612065088
Energy: 0.5211395967691118
Energy: 0.5206129705696451
Energy: 0.52113959677007
Energy: 0.5399983830232329
Energy: 0.5762436091667995
Energy: 0.5399119073343531
Energy: 0.5762436091658413
Energy: 0.5404906204477505
Energy: 0.5764953468765477
Energy: 0.5719881306083529
Energy: 0.5764953468746312
Energy: 0.5201219242516933
Energy: 0.52044777483272
Energy: 0.500155738422659
Energy: 0.5204477748346364
Energy: 0.5203899647181539
Energy: 0.5255310213446751
Energy: 0.49995920704725066
Energy: 0.5255310213408422
Energy: 0.49966021278001066
Energy: 0.5878196728418744
Energy: 0.5883766503716995
Energy: 0.5878196728437691

minimum gb energy = 0.4993876736329189 eV
minimum distance =  2.58356789256211 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.5999960858727202
Energy: 0.5925652039279143
Energy: 0.593852651488923
Energy: 0.5063385241364495
Energy: 0.5516676851498329
Energy: 0.5396484171097498
Energy: 0.5514897306169964
Energy: 0.5396484171109347
Energy: 0.5930233983731187
Energy: 0.5926859271552436
Energy: 0.6242893860020791
Energy: 0.5926859271552436
Energy: 0.5020072860421104
Energy: 0.53969357178842
Energy: 0.5512905794186853
Energy: 0.53969357178842
Energy: 0.5496062075885623
Energy: 0.5826423385076185
Energy: 0.5523687450764138
Energy: 0.5826423385076185
Energy: 0.5659640039647562
Energy: 0.551517595587405
Energy: 0.5161442585562835
Energy: 0.551517595587405
Energy: 0.5995962367056105
Energy: 0.580905912035769
Energy: 0.5502839462775168
Energy: 0.580905912035769
Energy: 0.5000221926021111
Energy: 0.5810156155846604
Energy: 0.5160694467529557
Energy: 0.5810156155846604
Energy: 0.5927495675617225
Energy: 0.5934569133102654
Energy: 0.6280820867015241
Energy: 0.5934569133102654
Energy: 0.592604389618473
Energy: 0.501932313860263
Energy: 0.5003704435146227
Energy: 0.501932313860263
Energy: 0.624038270459268
Energy: 0.5929171396280076
Energy: 0.5943940428142303
Energy: 0.5929171396280076
Energy: 0.5648142006979525
Energy: 0.539889026074281
Energy: 0.5018849295098151
Energy: 0.539889026074281
Energy: 0.5167076662988388
Energy: 0.5826357055182777
Energy: 0.5497994835165774
Energy: 0.5826357055182777
Energy: 0.5528730063846824
Energy: 0.5521457447731477
Energy: 0.564996436852742
Energy: 0.5521457447731477
Energy: 0.5503414395754554
Energy: 0.5819736547336989
Energy: 0.6036336956063818
Energy: 0.5819736547336989
Energy: 0.5160098619091418
Energy: 0.5875928486040178
Energy: 0.6019643640484513
Energy: 0.5875928486040178
Energy: 0.6276479162136092
Energy: 0.6038541455611997
Energy: 0.6048515738394261
Energy: 0.6038541455623847

minimum gb energy = 0.5000221926021111 eV
minimum distance =  2.57325383834624 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.8330598863535136
Energy: 0.6572715314467313
Energy: 0.6565837235817109
Energy: 0.6027760896259016
Energy: 0.5587070888269191
Energy: 0.5451296471689441
Energy: 0.6453918227459395
Energy: 0.5451296471682728
Energy: 0.5605452190894307
Energy: 0.5597940086401593
Energy: 0.6221266788753943
Energy: 0.5597940086401593
Energy: 0.5439530201879479
Energy: 0.5442975335018252
Energy: 0.5946689340016212
Energy: 0.5442975335024964
Energy: 0.6240793480405391
Energy: 0.5971206216376019
Energy: 0.5739861969178119
Energy: 0.5971206216376019
Energy: 0.5954112556630746
Energy: 0.6000217010097303
Energy: 0.5821701892890287
Energy: 0.6000217010090593
Energy: 0.6692474079874466
Energy: 0.5589688629810954
Energy: 0.5607742081259863
Energy: 0.5589688629804241
Energy: 0.6747381222562953
Energy: 0.5591873344267683
Energy: 0.557081453616185
Energy: 0.5591873344254259
Energy: 0.6623987990971393
Energy: 0.6575545686081132
Energy: 0.6264370961147958
Energy: 0.6575545686087845
Energy: 0.6689466511240819
Energy: 0.622779624608446
Energy: 0.6417460524077571
Energy: 0.622779624608446
Energy: 0.6234517419027337
Energy: 0.5427191592763443
Energy: 0.543297793288452
Energy: 0.5427191592763443
Energy: 0.6234798239146107
Energy: 0.542304287890471
Energy: 0.5430685276332949
Energy: 0.542304287891142
Energy: 0.5727363937317735
Energy: 0.5424277511522586
Energy: 0.5424094765435928
Energy: 0.5424277511522586
Energy: 0.6680959104679773
Energy: 0.5483148081597686
Energy: 0.5425232919953621
Energy: 0.5483148081611109
Energy: 0.6605942328386845
Energy: 0.6571020112738711
Energy: 0.6750504649558173
Energy: 0.6571020112738711
Energy: 0.6568001591531707
Energy: 0.6593565363436259
Energy: 0.6738424342523547
Energy: 0.6593565363436259
Energy: 0.623819143033265
Energy: 0.5594721796315234
Energy: 0.5597522329267098
Energy: 0.5594721796321944
Energy: 0.6238953526295639
Energy: 0.5587218647182166
Energy: 0.559908775622084
Energy: 0.5587218647188876
Energy: 0.5836151554688213
Energy: 0.6013377695643145
Energy: 0.5847305435316652
Energy: 0.6013377695643145
Energy: 0.5696125461429312
Energy: 0.5979276789119741
Energy: 0.5830294256983857
Energy: 0.5979276789113027
Energy: 0.560345293490059
Energy: 0.543688601875416
Energy: 0.6776900943804638
Energy: 0.543688601875416
Energy: 0.5602763024661312
Energy: 0.560151326368542
Energy: 0.572421464249121
Energy: 0.5601513263678709
Energy: 0.6465126630837604
Energy: 0.6247580340314125
Energy: 0.6592248414518628
Energy: 0.624758034032755
Energy: 0.621460264123442
Energy: 0.6592808806480325
Energy: 0.6601280006630503
Energy: 0.6592808806473612
Energy: 0.5275016712802337
Energy: 0.5436040914651284
Energy: 0.6246377670898317
Energy: 0.5436040914637861
Energy: 0.5428810190140846
Energy: 0.5429339755984905
Energy: 0.6219488196172229
Energy: 0.5429339755991618
Energy: 0.5251048635616986
Energy: 0.5793022821629075
Energy: 0.6240889440787573
Energy: 0.5793022821629075
Energy: 0.546009446375119
Energy: 0.5427463748766114
Energy: 0.67404862085469
Energy: 0.5427463748759402
Energy: 0.5267650764210845
Energy: 0.5763342256589216
Energy: 0.5730674655636587
Energy: 0.5763342256582503
Energy: 0.6729458986909744
Energy: 0.6590720593865153
Energy: 0.6563663353724983
Energy: 0.6590720593865153

minimum gb energy = 0.5251048635616986 eV
minimum distance =  2.55992217054662 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.7514377833432573
Energy: 0.5966121656941255
Energy: 0.5986627999318479
Energy: 0.48878795806215747
Energy: 0.588053455823431
Energy: 0.5144339631365427
Energy: 0.5968282287355939
Energy: 0.5144339631365427
Energy: 0.5974879647799691
Energy: 0.596504797676745
Energy: 0.591372170310336
Energy: 0.5965047976751999
Energy: 0.5878701572505101
Energy: 0.5131250120483478
Energy: 0.5785681823090981
Energy: 0.5131250120468027
Energy: 0.5929205330011393
Energy: 0.5126651360720306
Energy: 0.47726343423296674
Energy: 0.5126651360704855
Energy: 0.577712936456813
Energy: 0.5139262243147268
Energy: 0.477470936692686
Energy: 0.5139262243131817
Energy: 0.6900981235607597
Energy: 0.5953027777562168
Energy: 0.5965674885356221
Energy: 0.5953027777562168
Energy: 0.6931097454446626
Energy: 0.5953336543513791
Energy: 0.6113959279042099
Energy: 0.5953336543529243
Energy: 0.5971738628443777
Energy: 0.5965353648292706
Energy: 0.5908831972712911
Energy: 0.5965353648308158
Energy: 0.5906924164354262
Energy: 0.57858514418355
Energy: 0.5867433091249472
Energy: 0.57858514418355
Energy: 0.593700640216071
Energy: 0.5127794634706866
Energy: 0.4777916933392509
Energy: 0.5127794634675963
Energy: 0.5877893071323492
Energy: 0.5127444717734113
Energy: 0.4801365210923139
Energy: 0.5127444717734113
Energy: 0.6936546091175101
Energy: 0.5949625160030872
Energy: 0.5959738813972261
Energy: 0.5949625160061774

minimum gb energy = 0.47726343423296674 eV
minimum distance =  2.58838885622153 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.7363801782454051
Energy: 0.6848900263735601
Energy: 0.6875772363764776
Energy: 0.631934283067395
Energy: 0.5948723183163876
Energy: 0.5361103387897983
Energy: 0.688346982278449
Energy: 0.5361103387892264
Energy: 0.5361458907935379
Energy: 0.5360552282765559
Energy: 0.6679103511034928
Energy: 0.5360552282754122
Energy: 0.5386505424981178
Energy: 0.5357441445605691
Energy: 0.7057565610869213
Energy: 0.535744144561141
Energy: 0.537301150658126
Energy: 0.5350607715072824
Energy: 0.7097434501404412
Energy: 0.5350607715072824
Energy: 0.5907572380825105
Energy: 0.5356637170786509
Energy: 0.7081907887144472
Energy: 0.5356637170792228
Energy: 0.7002779141246024
Energy: 0.6743909774401403
Energy: 0.6876484074770416
Energy: 0.6743909774401403
Energy: 0.6885600715058757
Energy: 0.6635842226726185
Energy: 0.6754236139236569
Energy: 0.6635842226731904
Energy: 0.580768727422106
Energy: 0.6019751726281
Energy: 0.573877606369763
Energy: 0.6019751726281
Energy: 0.5262324952803983
Energy: 0.5754948900765344
Energy: 0.664186528619379
Energy: 0.5754948900765344
Energy: 0.58494355011746
Energy: 0.5816385654322003
Energy: 0.6198022110307608
Energy: 0.581638565432772
Energy: 0.5821946671576083
Energy: 0.5822825307491896
Energy: 0.7118785428887953
Energy: 0.5822825307497616
Energy: 0.70131264743259
Energy: 0.581615938213461
Energy: 0.6394611071464366
Energy: 0.581615938213461
Energy: 0.7022473624126284
Energy: 0.5819176530486981
Energy: 0.5880745619995985
Energy: 0.5819176530481263
Energy: 0.6668181697998882
Energy: 0.575304458611749
Energy: 0.5782518359040215
Energy: 0.5753044586123208
Energy: 0.6199286320680392
Energy: 0.6170755835384428
Energy: 0.5795996964627274
Energy: 0.6170755835390146
Energy: 0.6693172114872682
Energy: 0.6006396065598048
Energy: 0.5935919548229881
Energy: 0.6006396065598048
Energy: 0.6863548611290837
Energy: 0.6757105949866629
Energy: 0.7343175394596385
Energy: 0.6757105949866629
Energy: 0.6912959377490979
Energy: 0.5355323948883541
Energy: 0.6409721687991481
Energy: 0.5355323948889261
Energy: 0.6775617155374319
Energy: 0.5361216010008333
Energy: 0.5361342700576183
Energy: 0.5361216010008333
Energy: 0.7048099690345567
Energy: 0.5356010971953562
Energy: 0.539405622689313
Energy: 0.5356010971953562
Energy: 0.7082533896535865
Energy: 0.5351176896798829
Energy: 0.5359642010022688
Energy: 0.5351176896804548
Energy: 0.7094199476134033
Energy: 0.5356458742709085
Energy: 0.5538588088656612
Energy: 0.5356458742709085
Energy: 0.6894204593620278
Energy: 0.6699359852462979
Energy: 0.7030042944069699
Energy: 0.6699359852474417
Energy: 0.6765106118185743
Energy: 0.6689560793778399
Energy: 0.7022388041457006
Energy: 0.6689560793778399
Energy: 0.5747164381081659
Energy: 0.630997614207872
Energy: 0.581448319357377
Energy: 0.630997614207872
Energy: 0.668721164953043
Energy: 0.5752387241510382
Energy: 0.5257465956011388
Energy: 0.57523872415161
Energy: 0.6586185750202225
Energy: 0.5809865781655353
Energy: 0.585606147809846
Energy: 0.5809865781638198
Energy: 0.7134998805626273
Energy: 0.5824687927014677
Energy: 0.584605351083468
Energy: 0.5824687927020396
Energy: 0.6379555758296044
Energy: 0.5807428619924467
Energy: 0.7015093043029297
Energy: 0.5807428619930186
Energy: 0.5857300159872181
Energy: 0.5824678556344758
Energy: 0.6671074292685487
Energy: 0.5824678556350477
Energy: 0.5876080828891956
Energy: 0.5765481138037856
Energy: 0.6541600013630978
Energy: 0.5765481138032137
Energy: 0.5774291509662925
Energy: 0.6167316983807598
Energy: 0.6206542015132294
Energy: 0.616731698379642
Energy: 0.5831716793998518
Energy: 0.5996764574105267
Energy: 0.6260210361642787
Energy: 0.5996764574105267
Energy: 0.7126630882741156
Energy: 0.6717522097381888
Energy: 0.6796599265359298
Energy: 0.6717522097364732

minimum gb energy = 0.5257465956011388 eV
minimum distance =  2.58098636919675 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.7946120074320848
Energy: 0.6575606343512944
Energy: 0.6582438260757479
Energy: 0.6084246586821808
Energy: 0.5755946928126654
Energy: 0.550967348601439
Energy: 0.6572135311650157
Energy: 0.550967348601439
Energy: 0.5509109532429464
Energy: 0.5511214316171358
Energy: 0.6474244848678836
Energy: 0.5511214316171358
Energy: 0.5508139090530292
Energy: 0.5463609695566632
Energy: 0.7105418322749186
Energy: 0.5463609695548486
Energy: 0.5536187666929322
Energy: 0.5520800068657319
Energy: 0.6908885220838695
Energy: 0.5520800068648245
Energy: 0.5998713346359009
Energy: 0.551692477486766
Energy: 0.691045262704457
Energy: 0.5516924774858586
Energy: 0.630761434283742
Energy: 0.6514228267475204
Energy: 0.6746708499601092
Energy: 0.6514228267466129
Energy: 0.6309796787594193
Energy: 0.644232188768231
Energy: 0.6523958311702185
Energy: 0.6442321887691382
Energy: 0.5947234719256729
Energy: 0.6126884591105893
Energy: 0.6531941751593131
Energy: 0.6126884591124041
Energy: 0.5669496993179428
Energy: 0.6103979719146868
Energy: 0.6530909200261216
Energy: 0.6103979719146868
Energy: 0.5860958591774948
Energy: 0.5514901756864564
Energy: 0.5513338421662938
Energy: 0.551490175685549
Energy: 0.5859903520506621
Energy: 0.5866931385169537
Energy: 0.6776678184034833
Energy: 0.5866931385178403
Energy: 0.6570121214616836
Energy: 0.5514171756912499
Energy: 0.5859089659968914
Energy: 0.5514171756912499
Energy: 0.6465160966010732
Energy: 0.5865429912516872
Energy: 0.5887489236295871
Energy: 0.5865429912507799
Energy: 0.6674997044984031
Energy: 0.5651511933032245
Energy: 0.5641100684400429
Energy: 0.5651511933023172
Energy: 0.6911217570742391
Energy: 0.5659452233551733
Energy: 0.564442041237235
Energy: 0.565945223354266
Energy: 0.6952290722255781
Energy: 0.5642244644465044
Energy: 0.6322829770226658
Energy: 0.5642244644437825
Energy: 0.6584213936179801
Energy: 0.6593936729381786
Energy: 0.6308431882831569
Energy: 0.6593936729381786
Energy: 0.6381247480113234
Energy: 0.6323508704502784
Energy: 0.6307411486395871
Energy: 0.6323508704520932
Energy: 0.6194978187367537
Energy: 0.578685872957192
Energy: 0.6234050216984476
Energy: 0.578685872957192
Energy: 0.6385496048071637
Energy: 0.6004963144691516
Energy: 0.5685857309682354
Energy: 0.6004963144709663
Energy: 0.6964485999670962
Energy: 0.6357035581448118
Energy: 0.64163571935632
Energy: 0.6357035581430177

minimum gb energy = 0.5463609695548486 eV
minimum distance =  2.56803951541597 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.9497178815714217
Energy: 0.6671472844285826
Energy: 0.6697718365628466
Energy: 0.5998375610576194
Energy: 0.637954005588919
Energy: 0.606575082421984
Energy: 0.6981426277515604
Energy: 0.6065750824232671
Energy: 0.5473142749324136
Energy: 0.5459985928127751
Energy: 0.60344362187611
Energy: 0.5459985928102087
Energy: 0.5483035967623962
Energy: 0.5462297774005832
Energy: 0.656337509570699
Energy: 0.5462297774031204
Energy: 0.5709347852674809
Energy: 0.5670544370790017
Energy: 0.6596345322944018
Energy: 0.5670544370809265
Energy: 0.5682074101747758
Energy: 0.5670946701086368
Energy: 0.6601877276112471
Energy: 0.5670946701054289
Energy: 0.689823050966436
Energy: 0.5676103547028162
Energy: 0.5675443906236384
Energy: 0.5676103547028162
Energy: 0.686926160865342
Energy: 0.5673961693180618
Energy: 0.5677539977783019
Energy: 0.5673961693251192
Energy: 0.703632719623383
Energy: 0.5458724194886099
Energy: 0.5460242484935882
Energy: 0.5458724194924593
Energy: 0.6648302341809056
Energy: 0.5462272502894328
Energy: 0.5455889188929046
Energy: 0.5462272502900744
Energy: 0.6956011465330302
Energy: 0.6271108385037445
Energy: 0.6873485897056504
Energy: 0.6271108385075939
Energy: 0.638792221452497
Energy: 0.6395179595138453
Energy: 0.6885029513637018
Energy: 0.6395179595125622
Energy: 0.6274744833091787
Energy: 0.5740485680078647
Energy: 0.6388364726803143
Energy: 0.5740485680040153
Energy: 0.6059584483421483
Energy: 0.5730049469205036
Energy: 0.5483090184578804
Energy: 0.5730049469185791
Energy: 0.6437067510316645
Energy: 0.5741807596906355
Energy: 0.5757167179385552
Energy: 0.5741807596944851
Energy: 0.5863293958804762
Energy: 0.6390760637970152
Energy: 0.6398102817936581
Energy: 0.6390760637951196
Energy: 0.5874316582480692
Energy: 0.629282512165729
Energy: 0.6561969047973161
Energy: 0.6292825121734279
Energy: 0.5748474286669915
Energy: 0.5458198685336534
Energy: 0.604483131843688
Energy: 0.545819868531087
Energy: 0.5468219336805061
Energy: 0.5454557899382562
Energy: 0.6980726406849884
Energy: 0.5454557899363606
Energy: 0.5671744595429338
Energy: 0.5671789732068806
Energy: 0.5914473569646298
Energy: 0.5671789732017479
Energy: 0.5689770950268528
Energy: 0.5674891514580178
Energy: 0.6600539620792172
Energy: 0.5674891514567346
Energy: 0.6880483254679928
Energy: 0.5676256754737294
Energy: 0.5680122643549236
Energy: 0.5676256754762957
Energy: 0.6868614200219721
Energy: 0.5678239180220053
Energy: 0.5683493309163895
Energy: 0.567823918025213
Energy: 0.6938358853864388
Energy: 0.5460167692631408
Energy: 0.5481202669500913
Energy: 0.5460167692689151
Energy: 0.6628209296210148
Energy: 0.5461851351270094
Energy: 0.5453437771986765
Energy: 0.5461851351231599
Energy: 0.6857223974105607
Energy: 0.6063770179610658
Energy: 0.6384671669915579
Energy: 0.6063770179604242
Energy: 0.6705431387567617
Energy: 0.666891280998719
Energy: 0.8070934507349825
Energy: 0.6668912810012853
Energy: 0.6344041012579997
Energy: 0.6280469819475052
Energy: 0.6385212192827118
Energy: 0.6280469819481468
Energy: 0.6045964786973342
Energy: 0.573907355813481
Energy: 0.6163199940503615
Energy: 0.5739073558179719
Energy: 0.640989996411366
Energy: 0.5767782987918842
Energy: 0.5480753995657383
Energy: 0.5767782987912426
Energy: 0.5913062704224057
Energy: 0.6390165147200927
Energy: 0.6415761397464721
Energy: 0.6390165147200927

minimum gb energy = 0.5453437771986765 eV
minimum distance =  2.57557226867401 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.5013974311390457
Energy: 0.6271871417738866
Energy: 0.6262331050380795
Energy: 0.5028167429751415
Energy: 0.5929185027700918
Energy: 0.5650097199038896
Energy: 0.5909158800744146
Energy: 0.565009719904113
Energy: 0.5924930968073552
Energy: 0.5874621789571082
Energy: 0.5444109255508498
Energy: 0.5874621789575553
Energy: 0.5506414309140762
Energy: 0.5119190676454355
Energy: 0.5911000037626114
Energy: 0.5119190676454355
Energy: 0.5514926299980161
Energy: 0.5471311953556557
Energy: 0.5021487940798425
Energy: 0.5471311953617642
Energy: 0.5907854774095533
Energy: 0.5874377991843326
Energy: 0.502109786569439
Energy: 0.587437799184109
Energy: 0.5460306677568398
Energy: 0.5886146702823063
Energy: 0.5916006802713301
Energy: 0.5886146702820827
Energy: 0.590850131636134
Energy: 0.5150317492322914
Energy: 0.5847364676897252
Energy: 0.5150317492316459
Energy: 0.5836421875296595
Energy: 0.5457446960014042
Energy: 0.5463930413492367
Energy: 0.5457446960003115

minimum gb energy = 0.5013974311390457 eV
minimum distance =  2.58457050609937 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.7203947469533767
Energy: 0.6336337140855103
Energy: 0.6346953472878757
Energy: 0.5085537412207844
Energy: 0.6431788833745802
Energy: 0.5171646290686369
Energy: 0.6159918208036484
Energy: 0.517164629068031
Energy: 0.6152434160649429
Energy: 0.5577696154408475
Energy: 0.6070964477078432
Energy: 0.5577696154402413
Energy: 0.5303845083152233
Energy: 0.5163306002475849
Energy: 0.6422393202728515
Energy: 0.516330600248191
Energy: 0.6205103699381413
Energy: 0.5248688338291755
Energy: 0.6542418264512622
Energy: 0.5248688338279636
Energy: 0.5513460042164933
Energy: 0.5250689702193128
Energy: 0.654412390995568
Energy: 0.5250689702193128
Energy: 0.5169040370750184
Energy: 0.5163234092511992
Energy: 0.6462533538452292
Energy: 0.5163234092518053
Energy: 0.5197546185989798
Energy: 0.5173267933159231
Energy: 0.6852944299814954
Energy: 0.5173267933159231
Energy: 0.5998425217365114
Energy: 0.5991725940669702
Energy: 0.6896456740591119
Energy: 0.5991725940681824
Energy: 0.6231886686027838
Energy: 0.5042420730053744
Energy: 0.5179913060606579
Energy: 0.5042420730041624
Energy: 0.5988846548170499
Energy: 0.503865567332436
Energy: 0.5054624036613841
Energy: 0.503865567332436
Energy: 0.6799450044923376
Energy: 0.5051801919372781
Energy: 0.5121311978534605
Energy: 0.505180191936672
Energy: 0.6833732388618581
Energy: 0.5040775004526215
Energy: 0.6431876964794604
Energy: 0.5040775004544394
Energy: 0.5976452545835325
Energy: 0.5280994976621084
Energy: 0.6064808345014029
Energy: 0.5280994976639266
Energy: 0.5179413332829937
Energy: 0.5170530579505215
Energy: 0.6079436421583906
Energy: 0.5170530579499154
Energy: 0.5226104199825038
Energy: 0.5175536120315484
Energy: 0.6432837977296099
Energy: 0.5175536120309424
Energy: 0.5167764044241333
Energy: 0.516989672843469
Energy: 0.620677099410253
Energy: 0.516989672843469
Energy: 0.6185848232861526
Energy: 0.5175236413914075
Energy: 0.6304452208775387
Energy: 0.5175236413920135
Energy: 0.6078362935643046
Energy: 0.558922332618591
Energy: 0.6173300600132908
Energy: 0.558922332619197
Energy: 0.6459949412639109
Energy: 0.5165684849693162
Energy: 0.5280518509220962
Energy: 0.5165684849693162
Energy: 0.6538753617194751
Energy: 0.5180063119590524
Energy: 0.6210696649504569
Energy: 0.5180063119584465
Energy: 0.6544142607812361
Energy: 0.5487080813929874
Energy: 0.5536252650219506
Energy: 0.5487080813929874
Energy: 0.6422614265611944
Energy: 0.516372973698352
Energy: 0.5184732768379062
Energy: 0.5163729736989581
Energy: 0.6844366644807951
Energy: 0.5172075761786424
Energy: 0.5200222004720149
Energy: 0.5172075761774303
Energy: 0.689649385523486
Energy: 0.537524109479503
Energy: 0.5984478778272724
Energy: 0.5375241094788968
Energy: 0.5204696452950915
Energy: 0.5042718452376109
Energy: 0.623219687751546
Energy: 0.5042718452388231
Energy: 0.5257706045131335
Energy: 0.5040557786725082
Energy: 0.600165528891546
Energy: 0.5040557786737203
Energy: 0.5112298285699036
Energy: 0.5046835924599277
Energy: 0.6257421162378155
Energy: 0.5046835924599277
Energy: 0.6387428293380596
Energy: 0.5043149210363824
Energy: 0.68476471019544
Energy: 0.5043149210357764
Energy: 0.6072867918276744
Energy: 0.5341269553576689
Energy: 0.5981712109943165
Energy: 0.534126955358881
Energy: 0.606947454884951
Energy: 0.5171413427763507
Energy: 0.519232655406064
Energy: 0.5171413427763507
Energy: 0.6427836826939387
Energy: 0.517203238862265
Energy: 0.5194133067405828
Energy: 0.517203238861659
Energy: 0.6206612608873234
Energy: 0.5169649502915861
Energy: 0.5517970347865241
Energy: 0.5169649502934042

minimum gb energy = 0.503865567332436 eV
minimum distance =  2.56569796314729 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.7694372245381795
Energy: 0.49846445579887716
Energy: 0.622121765211363
Energy: 0.4875553076508432
Energy: 0.6467093624891874
Energy: 0.4915084773167967
Energy: 0.6129858076840248
Energy: 0.4915084773151208
Energy: 0.5974607771001206
Energy: 0.5448681500896766
Energy: 0.6104447218423344
Energy: 0.5448681500871627
Energy: 0.5048031543783857
Energy: 0.4910733945310747
Energy: 0.6685781176064507
Energy: 0.4910733945310747
Energy: 0.5972967258815726
Energy: 0.49911776709992844
Energy: 0.6661471113680342
Energy: 0.4991177671007665
Energy: 0.49806288253763165
Energy: 0.4984923002894416
Energy: 0.6662634219264025
Energy: 0.4984923002886036
Energy: 0.49095938683422646
Energy: 0.4910278932531086
Energy: 0.6675118432536096
Energy: 0.49102789325227064
Energy: 0.4910373262829411
Energy: 0.4912343236826231
Energy: 0.7063030549389419
Energy: 0.4912343236801093
Energy: 0.647558477805943
Energy: 0.517247766721582
Energy: 0.7129957251560841
Energy: 0.5172477667207441
Energy: 0.6114308485991327
Energy: 0.49175983311376154
Energy: 0.49159811460343866
Energy: 0.4917598331154374
Energy: 0.6473211854004088
Energy: 0.49058657298972425
Energy: 0.4907218267732981
Energy: 0.4905865729872103
Energy: 0.706113529015939
Energy: 0.4934689302664561
Energy: 0.4982103375628184
Energy: 0.4934689302664561
Energy: 0.7051434486407133
Energy: 0.49122713010200325
Energy: 0.6126374995130465
Energy: 0.49122713010200325
Energy: 0.6463919903640306
Energy: 0.4908656288925223
Energy: 0.6104798116950384
Energy: 0.4908656288925223
Energy: 0.506811187237017
Energy: 0.5442082977254072
Energy: 0.6125280985016385
Energy: 0.5442082977262451
Energy: 0.5025597342886006
Energy: 0.49119411570077043
Energy: 0.6675382979317774
Energy: 0.4911941156982565
Energy: 0.5437695043840649
Energy: 0.49883485877038125
Energy: 0.6662437263999293
Energy: 0.49883485877038125
Energy: 0.4979262683678995
Energy: 0.4914053704611291
Energy: 0.6668990319681568
Energy: 0.491405370462805
Energy: 0.4911535303567327
Energy: 0.49078775519218343
Energy: 0.6894318489897326
Energy: 0.49078775519134543
Energy: 0.4909302677820739
Energy: 0.49100709811341786
Energy: 0.7063625283302506
Energy: 0.49100709811341786
Energy: 0.6095923040326375
Energy: 0.5179101598624629
Energy: 0.670492722073377
Energy: 0.5179101598624629
Energy: 0.6086262298841831
Energy: 0.49109817199941397
Energy: 0.49317187518678457
Energy: 0.49109817200025196
Energy: 0.6463951732769629
Energy: 0.4905637764666693
Energy: 0.49256077829908457
Energy: 0.49056377646918314
Energy: 0.7051507647491235
Energy: 0.49114252505208417
Energy: 0.49092421768348143
Energy: 0.49114252505376005

minimum gb energy = 0.4875553076508432 eV
minimum distance =  2.57936178779917 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.8297091782489611
Energy: 0.6298855023112354
Energy: 0.6329824765066228
Energy: 0.49150515251080223
Energy: 0.6698068336340206
Energy: 0.49205450547443963
Energy: 0.5723727394964913
Energy: 0.4920545054749576
Energy: 0.6358901153693822
Energy: 0.5964534668230215
Energy: 0.5707802794883128
Energy: 0.5964534668240573
Energy: 0.637716670570175
Energy: 0.5166903244733139
Energy: 0.6317236520620303
Energy: 0.5166903244759036
Energy: 0.6749061219111779
Energy: 0.4936801284147967
Energy: 0.6911248966173554
Energy: 0.4936801284142787
Energy: 0.4833480727810363
Energy: 0.4933862258441008
Energy: 0.717340388687037
Energy: 0.4933862258441008
Energy: 0.4838344974260068
Energy: 0.48242340791734045
Energy: 0.6519550019791338
Energy: 0.48242340791734045
Energy: 0.4890378266487123
Energy: 0.483096748806881
Energy: 0.7502314165458396
Energy: 0.4830967488058452
Energy: 0.6888096802167791
Energy: 0.4833445746194234
Energy: 0.6879456866625615
Energy: 0.4833445746199413
Energy: 0.5778639203636111
Energy: 0.5186266880087468
Energy: 0.5729183019381461
Energy: 0.5186266880066751
Energy: 0.6885059868651753
Energy: 0.4916288778245936
Energy: 0.49882882887814395
Energy: 0.4916288778245936
Energy: 0.7159560801765599
Energy: 0.4925278256454883
Energy: 0.5808819970092763
Energy: 0.49252782564346365
Energy: 0.7129708389476104
Energy: 0.5171509132027516
Energy: 0.5212242746901008
Energy: 0.5171509132027516
Energy: 0.7163751502160162
Energy: 0.491281030525412
Energy: 0.49360621128182885
Energy: 0.49128103052748373
Energy: 0.6352805094448464
Energy: 0.4919243694870886
Energy: 0.49897154339113065
Energy: 0.49192436948755947
Energy: 0.7434761216359842
Energy: 0.4921862780896496
Energy: 0.6974002622444587
Energy: 0.49218627809327514
Energy: 0.4930889063053806
Energy: 0.551529375067589
Energy: 0.6962260780843822
Energy: 0.551529375068107
Energy: 0.4938843084746175
Energy: 0.4919137607711859
Energy: 0.7163681726494934
Energy: 0.4919137607696321
Energy: 0.5105371777847342
Energy: 0.492557079513673
Energy: 0.6850743782661388
Energy: 0.4925570795126371
Energy: 0.6104786901142758
Energy: 0.5515198322100346
Energy: 0.7531028680436026
Energy: 0.5515198322058913
Energy: 0.573262970430521
Energy: 0.49197630649014684
Energy: 0.6694005394787
Energy: 0.49197630649170065
Energy: 0.5716131116364208
Energy: 0.5971433640586419
Energy: 0.6345141905062649
Energy: 0.597143364058124
Energy: 0.6253141680140912
Energy: 0.5157854752003425
Energy: 0.6353707896106913
Energy: 0.5157854752018963
Energy: 0.6929930456884368
Energy: 0.48274469255488067
Energy: 0.5694026857458401
Energy: 0.48274469255591657
Energy: 0.7157069729543479
Energy: 0.4859750265666057
Energy: 0.4951112484260564
Energy: 0.4859750265676416
Energy: 0.6516876289021806
Energy: 0.4828425646848662
Energy: 0.48592432535871627
Energy: 0.4828425646833124
Energy: 0.7407079237694112
Energy: 0.4833454163964174
Energy: 0.4913072040590104
Energy: 0.48334541639797124
Energy: 0.6846956669272235
Energy: 0.5163807661672891
Energy: 0.6894394099327558
Energy: 0.516380766167807
Energy: 0.5716609247910264
Energy: 0.5173774887594463
Energy: 0.5705794424993986
Energy: 0.5173774887584106
Energy: 0.49992516947632165
Energy: 0.49137387448114583
Energy: 0.6906734303275358
Energy: 0.49137387448011
Energy: 0.5790803604304388
Energy: 0.5047587739319557
Energy: 0.7184285417671245
Energy: 0.5047587739345452
Energy: 0.5197281168320159
Energy: 0.50643528057173
Energy: 0.7197417157689401
Energy: 0.506435280572248
Energy: 0.49163939582066435
Energy: 0.4913185706056744
Energy: 0.7144342641758668
Energy: 0.49131857060619233
Energy: 0.49831929022363985
Energy: 0.4922371392159435
Energy: 0.6371699748320355
Energy: 0.49223713921438966
Energy: 0.6990178419199371
Energy: 0.49213974806748245
Energy: 0.7424853899203986
Energy: 0.49213974806748245
Energy: 0.6984224668940378
Energy: 0.4926300984685489
Energy: 0.4927823191597356
Energy: 0.49263009846803096
Energy: 0.6975709170184695
Energy: 0.491768910980326
Energy: 0.49223898778450864
Energy: 0.491768910980326
Energy: 0.6884226414683134
Energy: 0.4928908006708313
Energy: 0.5323792922829574
Energy: 0.4928908006697954

minimum gb energy = 0.48242340791734045 eV
minimum distance =  2.56276765704615 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.8762914983701152
Energy: 0.4449242788934655
Energy: 0.44531490967679555
Energy: 0.4745160573660379
Energy: 0.601380390233903
Energy: 0.4877159062489035
Energy: 0.6021604396796943
Energy: 0.4877159062489035
Energy: 0.44079311487552475
Energy: 0.4884567287716616
Energy: 0.6017721870300946
Energy: 0.4884567287716616
Energy: 0.4435170292100778
Energy: 0.4893749361601244
Energy: 0.6013349808065607
Energy: 0.4893749361601244
Energy: 0.46182890558963674
Energy: 0.44679179851709644
Energy: 0.5990956933693139
Energy: 0.44679179851709644
Energy: 0.44448860129959644
Energy: 0.44659654989934716
Energy: 0.5985501646674617
Energy: 0.44659654989934716
Energy: 0.4457189888911798
Energy: 0.4443512543385239
Energy: 0.6012482079928976
Energy: 0.4443512543385239
Energy: 0.44488609122050016
Energy: 0.4456285547367414
Energy: 0.7397311890705786
Energy: 0.44562855473809654
Energy: 0.5939822497837461
Energy: 0.4454093467687127
Energy: 0.7403420605443256
Energy: 0.44540934676735755
Energy: 0.6017349109083538
Energy: 0.4879489618583316
Energy: 0.6014575427881138
Energy: 0.4879489618583316
Energy: 0.5938265919683245
Energy: 0.4875442477841302
Energy: 0.44060523170703436
Energy: 0.4875442477841302
Energy: 0.598684624994095
Energy: 0.44603554123043776
Energy: 0.6018914952510912
Energy: 0.44603554123043776
Energy: 0.5996240184374737
Energy: 0.44503420152783846
Energy: 0.4472241542551141
Energy: 0.4450342015291936
Energy: 0.7440213716751031
Energy: 0.44432394667506003
Energy: 0.44493138637274776
Energy: 0.44432394667506003
Energy: 0.7401211786764008
Energy: 0.44508265878138614
Energy: 0.4477412000478962
Energy: 0.44508265878138614

minimum gb energy = 0.44060523170703436 eV
minimum distance =  2.60243147638063 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.776730506992274
Energy: 0.4406686364104148
Energy: 0.6111082149396153
Energy: 0.4487555774886477
Energy: 0.6871434551185936
Energy: 0.4346984163854216
Energy: 0.5188661385852302
Energy: 0.4346984163848536
Energy: 0.7084214909825453
Energy: 0.4342487256535197
Energy: 0.5172099269673496
Energy: 0.43424872565579165
Energy: 0.5946946218850028
Energy: 0.4348405867427643
Energy: 0.6120047983991196
Energy: 0.4348405867439003
Energy: 0.7031301825526557
Energy: 0.43486388498529105
Energy: 0.6556182901588012
Energy: 0.4348638849892671
Energy: 0.5197386009228571
Energy: 0.4346273038356492
Energy: 0.6510012310628962
Energy: 0.4346273038373532
Energy: 0.5174977109475514
Energy: 0.43447989682325094
Energy: 0.7908549904291611
Energy: 0.43447989682495497
Energy: 0.5177724584411469
Energy: 0.44858921518281125
Energy: 0.7501374014861709
Energy: 0.44858921518565126
Energy: 0.43903309197862994
Energy: 0.4353617985774353
Energy: 0.7539308357333645
Energy: 0.4353617985853873
Energy: 0.4372184465427745
Energy: 0.4346146120371914
Energy: 0.7538060283838173
Energy: 0.4346146120298332
Energy: 0.43458740205273166
Energy: 0.4352582739321707
Energy: 0.776290365074869
Energy: 0.43525827392933064
Energy: 0.6511598811528427
Energy: 0.4582540208123704
Energy: 0.7538708035934607
Energy: 0.4582540208078264
Energy: 0.6539231141558381
Energy: 0.4552280820203739
Energy: 0.6513422021159087
Energy: 0.4552280820181019
Energy: 0.6481846919958648
Energy: 0.4570948616036432
Energy: 0.5933462626638194
Energy: 0.45709486160705126
Energy: 0.7597566128477287
Energy: 0.4350116773047485
Energy: 0.5965618156166872
Energy: 0.4350116773087245
Energy: 0.7581355762854413
Energy: 0.4350674720350285
Energy: 0.4392550418980035
Energy: 0.4350674720276703
Energy: 0.7321375604163561
Energy: 0.4345672603199727
Energy: 0.4369752209951576
Energy: 0.4345672603228128
Energy: 0.7246609314443637
Energy: 0.4350310012889255
Energy: 0.4376834441519868
Energy: 0.4350310012917656
Energy: 0.8007950426317916
Energy: 0.43512575495882166
Energy: 0.5309736572420412
Energy: 0.43512575495541367
Energy: 0.7556009570903748
Energy: 0.4342961004088136
Energy: 0.5179171654401726
Energy: 0.43429610041051764
Energy: 0.5946304925258502
Energy: 0.4351009965952404
Energy: 0.5282702336007975
Energy: 0.4351009965918324
Energy: 0.7551486021149185
Energy: 0.43374481615106314
Energy: 0.651356400332601
Energy: 0.43374481615276717
Energy: 0.5202661757825604
Energy: 0.4348733081443493
Energy: 0.6516186066568935
Energy: 0.4348733081432133
Energy: 0.4385390556270987
Energy: 0.4343826962124082
Energy: 0.7579235666159554
Energy: 0.4343826962107042
Energy: 0.5208226437483278
Energy: 0.4483008338099702
Energy: 0.7592671992905673
Energy: 0.4483008338099702
Energy: 0.4530450566091917
Energy: 0.43533963516606955
Energy: 0.7570307345129019
Energy: 0.43533963516663754
Energy: 0.4346068284466425
Energy: 0.43439534601228325
Energy: 0.7874288319043036
Energy: 0.4343953460156655
Energy: 0.4346101036684895
Energy: 0.43555798455777267
Energy: 0.7025407830598907
Energy: 0.4355579845560687
Energy: 0.6512944439821734
Energy: 0.4349870884564469
Energy: 0.8014664000744519
Energy: 0.4349870884547429
Energy: 0.5163849372313876
Energy: 0.45710266389638865
Energy: 0.6538065234710367
Energy: 0.45710266389525267
Energy: 0.6540332374136398
Energy: 0.45961903986655406
Energy: 0.5950818245214055
Energy: 0.45961903987053004
Energy: 0.7575029135893594
Energy: 0.4349966607583072
Energy: 0.6542187197725119
Energy: 0.43499666076001114
Energy: 0.7604671092834124
Energy: 0.4353048642202422
Energy: 0.43432795928068013
Energy: 0.43530486422478626
Energy: 0.7879839342114249
Energy: 0.43428540706866275
Energy: 0.4349770037821581
Energy: 0.43428540707150265
Energy: 0.7979209080933444
Energy: 0.44888989275997926
Energy: 0.4386760495525545
Energy: 0.4488898927565713

minimum gb energy = 0.43374481615106314 eV
minimum distance =  2.58839824593518 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.6693655440442862
Energy: 0.3976552980155758
Energy: 0.3976722971374617
Energy: 0.43857811124750995
Energy: 0.7285225484896819
Energy: 0.3979335560558322
Energy: 0.5271005274469225
Energy: 0.3979335560558322
Energy: 0.6447888855983646
Energy: 0.3976027395479366
Energy: 0.5257413864354898
Energy: 0.3976027395479366
Energy: 0.6445917204974249
Energy: 0.4410853237235357
Energy: 0.6580928433669161
Energy: 0.4410853237235357
Energy: 0.6593339803564431
Energy: 0.44290586425127443
Energy: 0.5246215770804419
Energy: 0.44290586425225165
Energy: 0.4760703814881488
Energy: 0.39848251777563587
Energy: 0.7282965158267495
Energy: 0.39848251777661314
Energy: 0.39557216770580134
Energy: 0.39773218642936226
Energy: 0.7285469222175055
Energy: 0.3977321864303395
Energy: 0.5260268236504414
Energy: 0.3982769100181257
Energy: 0.7167812533156682
Energy: 0.3982769100191029
Energy: 0.3978484951177822
Energy: 0.3984689933744853
Energy: 0.7258923879815781
Energy: 0.3984689933744853
Energy: 0.3980138126586845
Energy: 0.3980471050026027
Energy: 0.7712205123933304
Energy: 0.3980471050026027
Energy: 0.3976722991086112
Energy: 0.39765529770983793
Energy: 0.6693655440433091
Energy: 0.3976552976942246
Energy: 0.5271005274469225
Energy: 0.3979335560548549
Energy: 0.770984817529918
Energy: 0.3979335560548549
Energy: 0.5257413864354898
Energy: 0.3976027395479366
Energy: 0.6447888855983646
Energy: 0.39760273954891384
Energy: 0.6580928433669161
Energy: 0.4410853237235357
Energy: 0.6445917204974249
Energy: 0.4410853237235357
Energy: 0.5246215770794647
Energy: 0.44290586425127443
Energy: 0.6593339803564431
Energy: 0.44290586425127443
Energy: 0.6836626894897211
Energy: 0.39848251777661314
Energy: 0.5274020888357339
Energy: 0.39848251777563587
Energy: 0.7285469222175055
Energy: 0.3977321864303395
Energy: 0.3955721677077557
Energy: 0.39773218642936226
Energy: 0.7167812533156682
Energy: 0.3982769100191029
Energy: 0.5260268236504414
Energy: 0.3982769100191029
Energy: 0.7258923879815781
Energy: 0.3984689933754625
Energy: 0.3978484951177822
Energy: 0.3984689933754625
Energy: 0.7285182791316501
Energy: 0.3980471050026027
Energy: 0.3980138126586845
Energy: 0.3980471050035799

minimum gb energy = 0.39557216770580134 eV
minimum distance =  2.59502883665132 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.8717574101964782
Energy: 0.37164764031795017
Energy: 0.37160548473600474
Energy: 0.4098057679802573
Energy: 0.775739132086311
Energy: 0.3721791448203587
Energy: 0.46673272608644356
Energy: 0.3721791448241741
Energy: 0.7410362732477956
Energy: 0.3715860834343622
Energy: 0.4766758025357893
Energy: 0.3715860834381776
Energy: 0.6073315061970626
Energy: 0.3719379393632711
Energy: 0.6349356548045618
Energy: 0.37193793936403413
Energy: 0.7523817045753737
Energy: 0.4054777520605856
Energy: 0.6438699585571851
Energy: 0.40547775206440106
Energy: 0.5887761066631546
Energy: 0.4048177165904865
Energy: 0.6428497023757179
Energy: 0.4048177165920126
Energy: 0.5886707809044033
Energy: 0.3704907432751243
Energy: 0.780663203682069
Energy: 0.37049074327436127
Energy: 0.6191931633621872
Energy: 0.37080538682774905
Energy: 0.6656955652610371
Energy: 0.37080538682774905
Energy: 0.464665610196181
Energy: 0.3705274782593063
Energy: 0.7816551619395063
Energy: 0.3705274782570171
Energy: 0.4651787606060229
Energy: 0.37052118176649285
Energy: 0.7049787892373016
Energy: 0.37052118176725585
Energy: 0.4144697220524463
Energy: 0.3710745854617815
Energy: 0.7439622238364905
Energy: 0.3710745854602554
Energy: 0.41455386236141023
Energy: 0.37009082768999124
Energy: 0.705225311391057
Energy: 0.3700908276884998
Energy: 0.4195460567251832
Energy: 0.36452222351750013
Energy: 0.8433767282456537
Energy: 0.3645222235182632
Energy: 0.5060699296157862
Energy: 0.365156600145722
Energy: 0.702724625630185
Energy: 0.3651566001464851
Energy: 0.5198185015563948
Energy: 0.3639995241782204
Energy: 0.8434116841593542
Energy: 0.36399952417745723
Energy: 0.5137930482781942
Energy: 0.37020024488414055
Energy: 0.7440825312215166
Energy: 0.37020024488414055
Energy: 0.6325698456583349
Energy: 0.37050111862646795
Energy: 0.7404895128066842
Energy: 0.3705011186249417
Energy: 0.514539367244054
Energy: 0.4033770241887504
Energy: 0.7488646760634112
Energy: 0.4033770241895135
Energy: 0.6334363524574517
Energy: 0.4034789345046477
Energy: 0.6004789424930973
Energy: 0.40347893450312156
Energy: 0.7752349482173373
Energy: 0.4701725741758024
Energy: 0.5889324340172437
Energy: 0.4701725741765655
Energy: 0.7443235289016642
Energy: 0.37214788755287104
Energy: 0.466886104854821
Energy: 0.3721478875505818
Energy: 0.7754101597709581
Energy: 0.3718001288791222
Energy: 0.4161659913915973
Energy: 0.3718001288798853
Energy: 0.8131480130240634
Energy: 0.3725983529954204
Energy: 0.47291272576197824
Energy: 0.37259835299465727
Energy: 0.6736028714594645
Energy: 0.3733730909220399
Energy: 0.3721694697687584
Energy: 0.37337309092509224
Energy: 0.8552028606163038
Energy: 0.37189763412725907
Energy: 0.37375707039072376
Energy: 0.37189763412725907
Energy: 0.7427410101921255
Energy: 0.37276055348383114
Energy: 0.376584389290982
Energy: 0.37276055348154186

minimum gb energy = 0.36399952417745723 eV
minimum distance =  2.58135162862301 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.7631782900640781
Energy: 0.33830252672459143
Energy: 0.33837718691849644
Energy: 0.37038373359076776
Energy: 0.8064173488395678
Energy: 0.33895110164966813
Energy: 0.41818637837004197
Energy: 0.3389511016509194
Energy: 0.745678319589573
Energy: 0.33819446722807295
Energy: 0.42360966433248987
Energy: 0.3381944672286985
Energy: 0.6304230672696176
Energy: 0.33841016720716516
Energy: 0.5596281682873394
Energy: 0.3384101672084163
Energy: 0.7512257173262242
Energy: 0.3391022386720576
Energy: 0.5707070130878518
Energy: 0.3391022386751856
Energy: 0.6240371896901186
Energy: 0.4549697281870051
Energy: 0.5672119467409634
Energy: 0.4549697281870051
Energy: 0.6276814130122275
Energy: 0.3663497447800888
Energy: 0.6898208961958519
Energy: 0.36634974478133997
Energy: 0.634632590276297
Energy: 0.3657052011858287
Energy: 0.5639134832155419
Energy: 0.3657052011801983
Energy: 0.5055808793973073
Energy: 0.45531667133062537
Energy: 0.6855523593112585
Energy: 0.4553166713312509
Energy: 0.5107690851885416
Energy: 0.3383592893037412
Energy: 0.806674833941879
Energy: 0.33835928930248993
Energy: 0.41594337575349455
Energy: 0.3392815643599418
Energy: 0.6848331825448436
Energy: 0.3392815643593162
Energy: 0.42116834843982937
Energy: 0.33842343594853763
Energy: 0.8066818799757965
Energy: 0.3384234359460352
Energy: 0.4192248611677534
Energy: 0.33933672236443035
Energy: 0.8081232691025345
Energy: 0.33933672236380474
Energy: 0.3393902760187073
Energy: 0.3393539085804457
Energy: 0.6851389946405592
Energy: 0.3393539085804457
Energy: 0.34029725967668056
Energy: 0.3389218463653611
Energy: 0.8073259831999979
Energy: 0.3389218463653611
Energy: 0.3407438611087557
Energy: 0.33953741237813273
Energy: 0.7483268933559383
Energy: 0.33953741237813273
Energy: 0.42296952242326447
Energy: 0.33928369600486513
Energy: 0.7516313922952038
Energy: 0.3392836960067135
Energy: 0.4176109899486286
Energy: 0.33860384962698814
Energy: 0.7517485490477225
Energy: 0.338603849625737
Energy: 0.4181842391242917
Energy: 0.3386958631339902
Energy: 0.6268493511515831
Energy: 0.33869586313524136
Energy: 0.5608745635352069
Energy: 0.3384043829449858
Energy: 0.6244582870405052
Energy: 0.338404382946237
Energy: 0.5664441051363849
Energy: 0.4535420068378458
Energy: 0.689103321169972
Energy: 0.45354200683909696
Energy: 0.5618527979502242
Energy: 0.45674629459936694
Energy: 0.6284749701801277
Energy: 0.45674629459749017
Energy: 0.6855952623443619
Energy: 0.36453620546090065
Energy: 0.6239354068641937
Energy: 0.36453620546090065
Energy: 0.5634600340666072
Energy: 0.4565149053203733
Energy: 0.5612378481228616
Energy: 0.45651490532099903
Energy: 0.6906831922197161
Energy: 0.4532755868351102
Energy: 0.4953447671561637
Energy: 0.4532755868344846
Energy: 0.6868229359515016
Energy: 0.3384939241990147
Energy: 0.5594513040355442
Energy: 0.3384939242002659
Energy: 0.6893404483003205
Energy: 0.3385839575631872
Energy: 0.4193670501047259
Energy: 0.3385839575594336
Energy: 0.8100807921322701
Energy: 0.3385333470221803
Energy: 0.41822794912969985
Energy: 0.3385333470221803
Energy: 0.6887757632045902
Energy: 0.33966702135192867
Energy: 0.4170420152617409
Energy: 0.33966702135255433
Energy: 0.6870926687546894
Energy: 0.33941518319025826
Energy: 0.33900995891447816
Energy: 0.3394151831896327
Energy: 0.8079602991734604
Energy: 0.3388034916859918
Energy: 0.3400384028409814
Energy: 0.3388034916859918
Energy: 0.7446128961361353
Energy: 0.3395227484736669
Energy: 0.33885883026954555
Energy: 0.3395227484736669

minimum gb energy = 0.33819446722807295 eV
minimum distance =  2.58636931185512 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.7671181241661786
Energy: 0.31917025185979975
Energy: 0.31671203269425985
Energy: 0.35345856886162624
Energy: 0.8268841404831782
Energy: 0.3168803496628054
Energy: 0.38835192958405373
Energy: 0.3168803496643953
Energy: 0.7751804084683543
Energy: 0.31813884635045975
Energy: 0.3878757813430426
Energy: 0.31813884635098977
Energy: 0.6754732914535139
Energy: 0.3168954555324461
Energy: 0.5052580534421549
Energy: 0.31689545553032616
Energy: 0.7812466316446843
Energy: 0.3176523684554638
Energy: 0.5110842761511388
Energy: 0.3176523684544039
Energy: 0.6677135529400895
Energy: 0.416855047087056
Energy: 0.5052029337695707
Energy: 0.416855047087056
Energy: 0.5649142050707916
Energy: 0.4273728885291324
Energy: 0.6218402730549114
Energy: 0.4273728885333722
Energy: 0.6744923401629423
Energy: 0.5204688316801057
Energy: 0.5077234043430953
Energy: 0.5204688316790458
Energy: 0.5633686854175829
Energy: 0.5168317303033905
Energy: 0.6160738999275841
Energy: 0.5168317303033905
Energy: 0.5627580676256531
Energy: 0.518082177628475
Energy: 0.7215417368446717
Energy: 0.518082177629005
Energy: 0.5080965801299714
Energy: 0.41757678066433784
Energy: 0.625054077878313
Energy: 0.41757678066645776
Energy: 0.4492759313880042
Energy: 0.41913895762242537
Energy: 0.7216757722619118
Energy: 0.41913895762295533
Energy: 0.5049254532827036
Energy: 0.31604808231310066
Energy: 0.7214078604281406
Energy: 0.3160480823125707
Energy: 0.38535886942672803
Energy: 0.31680721630114533
Energy: 0.6211561178417941
Energy: 0.31680721630273534
Energy: 0.3831285527239002
Energy: 0.31668460871976684
Energy: 0.8265901805944865
Energy: 0.3166846087176469
Energy: 0.38527973086385753
Energy: 0.31747059628289037
Energy: 0.7234473098841787
Energy: 0.31747059628342034
Energy: 0.3170129771106266
Energy: 0.3176604278306415
Energy: 0.7266661639133761
Energy: 0.3176604278306415
Energy: 0.31660456306238405
Energy: 0.31653812320637253
Energy: 0.8285454328448025
Energy: 0.31653812320478264
Energy: 0.32545217972162127
Energy: 0.31766568073174084
Energy: 0.6706825225486563
Energy: 0.31766568073068085
Energy: 0.38398194324313845
Energy: 0.3178622942832989
Energy: 0.7796452535407803
Energy: 0.3178622942854188
Energy: 0.38099899439784063
Energy: 0.31766872148279646
Energy: 0.8283965344055438
Energy: 0.31766872148279646
Energy: 0.3813742140866779
Energy: 0.3167353708679883
Energy: 0.6735132381327685
Energy: 0.31673537086745834
Energy: 0.506222028221654
Energy: 0.3162033303785328
Energy: 0.6673361615993723
Energy: 0.31620333037641296
Energy: 0.5085143215801146
Energy: 0.4194200158517851
Energy: 0.7231882962691177
Energy: 0.41942001585231514
Energy: 0.5132998125846091
Energy: 0.4177372968386206
Energy: 0.5687553089860609
Energy: 0.4177372968375606
Energy: 0.6158252903379178
Energy: 0.5175280230687244
Energy: 0.7223960758771023
Energy: 0.5175280230703143
Energy: 0.5103699240249102
Energy: 0.516635892027718
Energy: 0.6178966388347548
Energy: 0.5166358920298378
Energy: 0.675145832102701
Energy: 0.5212715215161694
Energy: 0.568581674493928
Energy: 0.5212715215177592
Energy: 0.6180063024684821
Energy: 0.42848108011232733
Energy: 0.6208726557696995
Energy: 0.42848108011921693
Energy: 0.6162851986022982
Energy: 0.41655632964068756
Energy: 0.5130520363885106
Energy: 0.41655632964068756
Energy: 0.7806500839659269
Energy: 0.41842271770297235
Energy: 0.44916463841723087
Energy: 0.4184227177056222
Energy: 0.6204393444928601
Energy: 0.31665136817408235
Energy: 0.5054779264234082
Energy: 0.31665136817408235
Energy: 0.7216389799018983
Energy: 0.31811992177182347
Energy: 0.38330843573456713
Energy: 0.3181199217697036
Energy: 0.781384665182907
Energy: 0.3170208952388904
Energy: 0.3833593271088783
Energy: 0.31702089523836036
Energy: 0.7209420767060386
Energy: 0.3175250648402825
Energy: 0.3823836883655819
Energy: 0.3175250648397525
Energy: 0.8268979744346888
Energy: 0.31734240378768386
Energy: 0.32111675001848783
Energy: 0.31734240378768386
Energy: 0.7742818726004214
Energy: 0.3172857972357176
Energy: 0.3215660645194716
Energy: 0.31728579723624756

minimum gb energy = 0.3160480823125707 eV
minimum distance =  2.58782070516197 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.7108023282962526
Energy: 0.28638835807139956
Energy: 0.2862965484825026
Energy: 0.3366466247851469
Energy: 0.8309165440387792
Energy: 0.2864844036724805
Energy: 0.3416793890438699
Energy: 0.2864844036720208
Energy: 0.688113416483885
Energy: 0.2862884344959444
Energy: 0.3416935772357399
Energy: 0.28628843449640407
Energy: 0.5938317482472022
Energy: 0.2864017878150049
Energy: 0.45160453562593883
Energy: 0.2864017878150049
Energy: 0.7887603696296054
Energy: 0.3764891587359182
Energy: 0.45317759503390825
Energy: 0.3764891587354585
Energy: 0.5940668577715854
Energy: 0.2868046911820139
Energy: 0.4538234534578597
Energy: 0.28680469118155427
Energy: 0.5938765554302794
Energy: 0.38827539011904577
Energy: 0.5495482851124147
Energy: 0.38827539011858614
Energy: 0.6976796158267377
Energy: 0.4674544493186706
Energy: 0.45286413366086026
Energy: 0.4674544493182109
Energy: 0.5969204455249547
Energy: 0.46907894674142325
Energy: 0.5512822369834435
Energy: 0.46907894674142325
Energy: 0.5957199696514257
Energy: 0.47564413761429036
Energy: 0.6441154301359441
Energy: 0.4756441376133711
Energy: 0.5496530201639511
Energy: 0.46950053599215874
Energy: 0.5489538979569659
Energy: 0.4695005359939973
Energy: 0.5051071855803202
Energy: 0.46742480752946536
Energy: 0.6441286294852187
Energy: 0.467424807529925
Energy: 0.5496410918648845
Energy: 0.3878574640547228
Energy: 0.641936017094617
Energy: 0.38785746405288424
Energy: 0.45318533381693343
Energy: 0.3768053588080692
Energy: 0.5485492051200473
Energy: 0.3768053588080692
Energy: 0.3979909170026946
Energy: 0.2870799273628657
Energy: 0.7386690979402167
Energy: 0.2870799273633253
Energy: 0.45210450726268825
Energy: 0.2875055581957777
Energy: 0.6427388220539101
Energy: 0.2875055581948584
Energy: 0.34499258009171907
Energy: 0.2863572804470894
Energy: 0.6413321223114518
Energy: 0.28635728044754905
Energy: 0.3418477596233657
Energy: 0.2862070946331884
Energy: 0.8309276233277868
Energy: 0.2862070946341077
Energy: 0.3438816800469772
Energy: 0.2875057904646345
Energy: 0.7356063571265239
Energy: 0.28750579046417485
Energy: 0.2865494861485256
Energy: 0.28746127331565036
Energy: 0.7354751568283414
Energy: 0.28746127331565036
Energy: 0.2869742284789892
Energy: 0.2867374588599808
Energy: 0.830401557940241
Energy: 0.2867374588595212
Energy: 0.2865069620007295
Energy: 0.2881170176592646
Energy: 0.6874780143227073
Energy: 0.2881170176592646
Energy: 0.3438839264394744
Energy: 0.2871513899269399
Energy: 0.7826484158508735
Energy: 0.2871513899269399
Energy: 0.34403325095044146
Energy: 0.28621959743868564
Energy: 0.829399650049977
Energy: 0.2862195974391453
Energy: 0.3421323680661475
Energy: 0.28650038574873543
Energy: 0.5937293440972776
Energy: 0.28650038574827574
Energy: 0.45115928797541394
Energy: 0.28751175603775875
Energy: 0.7845071860587622
Energy: 0.28751175603775875
Energy: 0.45359050934615774
Energy: 0.28652466656570486
Energy: 0.6888550584500773
Energy: 0.28652466656340664
Energy: 0.5494066280356715
Energy: 0.38778215926464704
Energy: 0.5940869644133108
Energy: 0.38778215926372767
Energy: 0.551221596289135
Energy: 0.4677883962530807
Energy: 0.7373480542814139
Energy: 0.4677883962526211
Energy: 0.5496633178524384
Energy: 0.4730934263129609
Energy: 0.5947065484524847
Energy: 0.4730934263129609
Energy: 0.6424874151037178
Energy: 0.4749351400767504
Energy: 0.5048278893528556
Energy: 0.4749351400776697
Energy: 0.5489275272872187
Energy: 0.47500065124061713
Energy: 0.6426667687592698
Energy: 0.47500065124107677
Energy: 0.6426559483955598
Energy: 0.4672409232827046
Energy: 0.5030113144104974
Energy: 0.467240923282245
Energy: 0.7377151457721931
Energy: 0.46771447482276834
Energy: 0.5031375434583817
Energy: 0.46771447482230877
Energy: 0.5490719950845186
Energy: 0.3768412092936219
Energy: 0.526521981520658
Energy: 0.3768412092945411
Energy: 0.7374261793846176
Energy: 0.37675946427254514
Energy: 0.4534310246218539
Energy: 0.37675946427254514
Energy: 0.736470230273532
Energy: 0.2866812540081785
Energy: 0.45736146849635556
Energy: 0.28668125400174344
Energy: 0.6412387752879942
Energy: 0.28644018787287767
Energy: 0.34389898995557405
Energy: 0.28644018787287767
Energy: 0.8304961984586183
Energy: 0.28610934144956673
Energy: 0.3429578754634546
Energy: 0.2861093414481878
Energy: 0.7366267602213973
Energy: 0.28711087934594215
Energy: 0.3437066848700995
Energy: 0.2871108793464018
Energy: 0.6411572485297723
Energy: 0.28779272081633844
Energy: 0.28666015595327926
Energy: 0.28779272081633844
Energy: 0.8308844778902842
Energy: 0.28665123867079795
Energy: 0.28659399423499543
Energy: 0.28665123867079795
Energy: 0.6874743581763391
Energy: 0.28742785775106294
Energy: 0.28634595964845116
Energy: 0.2874278577506033

minimum gb energy = 0.2861093414481878 eV
minimum distance =  2.58793079599085 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.011681161274927084
Energy: 0.3369398089265165
Energy: 0.6820619502540637
Energy: 0.012142234229489141
Energy: 0.40741042674521927
Energy: 0.06317052270947691
Energy: 0.4076536887256602
Energy: 0.06317052270983026
Energy: 0.012055230315120383
Energy: 0.06230028107854303
Energy: 0.40603174874561876
Energy: 0.06230028107854303
Energy: 0.01305708314770787
Energy: 0.06173861927048835
Energy: 0.40625030360197556
Energy: 0.06173861927152877
Energy: 0.40657294063697047
Energy: 0.06215846177655625
Energy: 0.4062363128844415
Energy: 0.06215846177655625
Energy: 0.011944609672906364
Energy: 0.0619074195701831
Energy: 0.40581582889065176
Energy: 0.0619074195701831

minimum gb energy = 0.011681161274927084 eV
minimum distance =  2.82842481533531 Angstroms
sigma value = 1