Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080053472518922
cohesive_energy=3.9303141807648228
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.068807226011498e-19, 1.72237192508268e-19, 2.270284290378e-19, 2.7505046928868197e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57769101336578e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29043385687812e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06388753471942e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.8571615914122e-19, 1.9324813688654397e-19, 7.75270842719724e-20, -6.808321432052279e-20, -2.52634416002388e-19, -4.88748788731602e-19, -7.94386412139978e-19, -1.195294264735896e-18, -1.72852428335724e-18, -2.4493275292274997e-18, -3.44512837255752e-18, -4.861804995872999e-18, -6.95589792181002e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011900322152035443
Energy: 0.25488122465660135
Energy: 0.012737991398264847
Energy: 0.013762940929377899
Energy: 0.25481303610602346
Energy: 0.012272734867725522
Energy: 0.25488122466623014
Energy: 0.0644157439247385
Energy: 0.06444337312062769
Energy: 0.06452166169708846
Energy: 0.06437349149776597
Energy: 0.0644207283697346
Energy: 0.012737991398511042
Energy: 0.0644433731153209
Energy: 0.06435609777768382
Energy: 0.012377993656601203
Energy: 0.0643979374291874
Energy: 0.06542523021393437
Energy: 0.013762940929377899
Energy: 0.06452166169252026
Energy: 0.012377993656601203
Energy: 0.012195833332534978
Energy: 0.06445232013751048
Energy: 0.01229821939798543
Energy: 0.25481303610602346
Energy: 0.06437349149705475
Energy: 0.06439793742847617
Energy: 0.06445232013942531
Energy: 0.06444440057568199
Energy: 0.06430020527634624
Energy: 0.012272734867971712
Energy: 0.06442072836300539
Energy: 0.06542523021368818
Energy: 0.012298219398231622
Energy: 0.06430020526576001
Energy: 0.012536070221070016

minimum gb energy = 0.011900322152035443 eV
minimum distance =  2.87851507611784 Angstroms
sigma value = 1


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

Energy: 0.7957373499395556
Energy: 0.5228045090632246
Energy: 0.5159385770021125
Energy: 0.4979651291126456
Energy: 0.7430130069370593
Energy: 0.5161969954897064
Energy: 0.7080228425030235
Energy: 0.4809169216734911
Energy: 0.48435341031538387
Energy: 0.4671652232140944
Energy: 0.48959098437990645
Energy: 0.47833230660552944
Energy: 0.7208280270293493
Energy: 0.48046355059582924
Energy: 0.48218693666725
Energy: 0.47888509419832587
Energy: 0.47791684019331737
Energy: 0.48315730060788925
Energy: 0.7765474952606246
Energy: 0.48014019333272895
Energy: 0.4979326371210789
Energy: 0.47166753792580346
Energy: 0.4803352157435428
Energy: 0.4797216689445712
Energy: 0.7086061356681653
Energy: 0.48647827503022933
Energy: 0.4850063791991018
Energy: 0.47589690068497514
Energy: 0.48758239097179795
Energy: 0.4825028063095147
Energy: 0.7049829154608598
Energy: 0.4974539401676011
Energy: 0.4856672281069619
Energy: 0.47915689040562137
Energy: 0.49809451367889124
Energy: 0.48474488666505433
Energy: 0.706200849382101
Energy: 0.48316357034740715
Energy: 0.48814217087385214
Energy: 0.47854940011346286
Energy: 0.4577757200736729
Energy: 0.47968054576101066
Energy: 0.6958904783016114
Energy: 0.4809672799072745
Energy: 0.4971924787875472
Energy: 0.4577720874758528
Energy: 0.4802888551473473
Energy: 0.4825268294162669
Energy: 0.5848591973488099
Energy: 0.4788477260149381
Energy: 0.4786777572363263
Energy: 0.49493333332394446
Energy: 0.48311596317416305
Energy: 0.48353191272984924
Energy: 0.5910718921199689
Energy: 0.476416069508164
Energy: 0.4831219172425929
Energy: 0.482337410370694
Energy: 0.4766891860542318
Energy: 0.4857354519077074
Energy: 0.5835050128496031
Energy: 0.4774736414143503
Energy: 0.47807603968106244
Energy: 0.516407667872029
Energy: 0.47730902876995873
Energy: 0.4815207664244277
Energy: 0.5335301385448881
Energy: 0.4833743749107202
Energy: 0.4826664691987876
Energy: 0.48707234163042773
Energy: 0.47703262506734945
Energy: 0.4824053183049511
Energy: 0.5296947922479025
Energy: 0.4779345634336626
Energy: 0.4781673969952572
Energy: 0.48579820023132064
Energy: 0.47771282238718693
Energy: 0.47859706348227765
Energy: 0.5720889507544211
Energy: 0.47559369857341566
Energy: 0.49862407346396115
Energy: 0.4901361409305344
Energy: 0.48625079944991917
Energy: 0.48065359449614625
Energy: 0.552843061280525
Energy: 0.47601394963865595
Energy: 0.4828491543241467
Energy: 0.49169256665880573
Energy: 0.47623910153123306
Energy: 0.4852413413370475
Energy: 0.5482073738377786
Energy: 0.48184338926964104
Energy: 0.4795813415087981
Energy: 0.48566977375269654
Energy: 0.4831672614491297
Energy: 0.4788154793222611
Energy: 0.6642800353572365
Energy: 0.47866640859734233
Energy: 0.48184230181119553
Energy: 0.47693786589654746
Energy: 0.4778896711995283
Energy: 0.47508728690025437
Energy: 0.642859574721142
Energy: 0.4813395687625252
Energy: 0.4902041445107631
Energy: 0.4851253457789015
Energy: 0.4535778192206057
Energy: 0.4917504365710503
Energy: 0.6441805080317913
Energy: 0.4939159185382163
Energy: 0.49203005862697025
Energy: 0.481725225273524
Energy: 0.4853075954181642
Energy: 0.49144398273964257
Energy: 0.6837605343562779
Energy: 0.4854896656960037
Energy: 0.4925298515621003
Energy: 0.48075373842163766
Energy: 0.4857353988889145
Energy: 0.49172109625396976
Energy: 0.7324607966187551
Energy: 0.48051609934911743
Energy: 0.48226922779980175
Energy: 0.4766607877496855
Energy: 0.4729332861072831
Energy: 0.48201920371629864
Energy: 0.7393732915798696
Energy: 0.4814704993134774
Energy: 0.4835754914491392
Energy: 0.4757887343724675
Energy: 0.47504115455032087
Energy: 0.4794349963295061
Energy: 0.7327884662812489
Energy: 0.4817136530464244
Energy: 0.48432868999261386
Energy: 0.47712850401108653
Energy: 0.492911789532037
Energy: 0.4777009767146024

minimum gb energy = 0.4535778192206057 eV
minimum distance =  2.69217829181972 Angstroms
sigma value = 33


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

Energy: 0.9150695265510367
Energy: 0.5172255205152418
Energy: 0.528831294191279
Energy: 0.530200059262296
Energy: 0.5178957697743802
Energy: 0.5521460491061034
Energy: 0.7132706900080944
Energy: 0.4840067029966964
Energy: 0.48639263730414883
Energy: 0.5041201186115298
Energy: 0.5111055139470546
Energy: 0.48960654798962094
Energy: 0.6884291932041993
Energy: 0.48915240120657755
Energy: 0.4881013206509434
Energy: 0.5232317123653848
Energy: 0.5158241732303863
Energy: 0.49631478680830643
Energy: 0.7247554312012547
Energy: 0.5483089321757423
Energy: 0.4957656184818581
Energy: 0.5067678208363193
Energy: 0.5181342304484431
Energy: 0.5133818538313231
Energy: 0.6908940636435248
Energy: 0.4855337076382252
Energy: 0.49278647376085083
Energy: 0.48023518820022193
Energy: 0.5138745891948613
Energy: 0.51179959910126
Energy: 0.7364142717855487
Energy: 0.5004757300851574
Energy: 0.5047167331187551
Energy: 0.48658345438304595
Energy: 0.5120072451823415
Energy: 0.5421793423854798
Energy: 0.735383057448438
Energy: 0.5316681289536638
Energy: 0.5319384435450463
Energy: 0.5372754038163634
Energy: 0.5328523064482744
Energy: 0.541117234725579
Energy: 0.6910916630696051
Energy: 0.5270973619870832
Energy: 0.5301472031593707
Energy: 0.4893886621444024
Energy: 0.5279623474317352
Energy: 0.5016129984258878
Energy: 0.6140069081372235
Energy: 0.5082587000161048
Energy: 0.5372751340437536
Energy: 0.5548916782985029
Energy: 0.5060092510358725
Energy: 0.5408862813468929
Energy: 0.610390361419503
Energy: 0.5489080782124779
Energy: 0.5485214953443471
Energy: 0.5450663882794821
Energy: 0.515738519263288
Energy: 0.5488542489337053
Energy: 0.6200653366766525
Energy: 0.49793746508219566
Energy: 0.4980680387015682
Energy: 0.5165978599536466
Energy: 0.4700999514920098
Energy: 0.49819888229907466
Energy: 0.5702241825656328
Energy: 0.471749442278765
Energy: 0.5332507629943998
Energy: 0.5568299052296394
Energy: 0.5038027884917816
Energy: 0.5357733530974808
Energy: 0.569753326417745
Energy: 0.5309358152649052
Energy: 0.5308054622859044
Energy: 0.5638934623823995
Energy: 0.5371999127966509
Energy: 0.5390668565922696
Energy: 0.57662448390812
Energy: 0.5163533462510862
Energy: 0.5143958654334125
Energy: 0.5715624834096554
Energy: 0.5069986357118483
Energy: 0.5160852108795262
Energy: 0.6150912960728552
Energy: 0.5347517298503425
Energy: 0.5479473811295733
Energy: 0.5590756692017707
Energy: 0.535384196796005
Energy: 0.5328499317089801
Energy: 0.6088411177062477
Energy: 0.5379219306884216
Energy: 0.5468091456840957
Energy: 0.5469635392356744
Energy: 0.538629343420303
Energy: 0.540913032138971
Energy: 0.6917064361162909
Energy: 0.5410195493330979
Energy: 0.5359077477514024
Energy: 0.5451216593376762
Energy: 0.5402168038039374
Energy: 0.536877507191374
Energy: 0.646564207806669
Energy: 0.5151398067367828
Energy: 0.5149709768262098
Energy: 0.5005157157795785
Energy: 0.5149368547308518
Energy: 0.5281736870027217
Energy: 0.6478723036033371
Energy: 0.5514606436447267
Energy: 0.5467783746125443
Energy: 0.5075226500259842
Energy: 0.5541985612229788
Energy: 0.5515536344664028
Energy: 0.7062008939596178
Energy: 0.5308028541202235
Energy: 0.5481968029633733
Energy: 0.5346707291243459
Energy: 0.5375773960662796
Energy: 0.5489069902100344
Energy: 0.781422354928432
Energy: 0.5463358264704078
Energy: 0.49799771104404733
Energy: 0.4982414908927224
Energy: 0.5463907478159286
Energy: 0.4979017109880602
Energy: 0.6118763797751755
Energy: 0.5441358775613917
Energy: 0.5352577190781076
Energy: 0.47027422349893855
Energy: 0.5554648423078477
Energy: 0.5336943216540834
Energy: 0.7112627416911097
Energy: 0.5258369861193025
Energy: 0.526433889519018
Energy: 0.5421179967696135
Energy: 0.5617540290952922
Energy: 0.5445357067537655
Energy: 0.7247502169898534
Energy: 0.5597742322927678
Energy: 0.5601680464111166
Energy: 0.5143870493766926
Energy: 0.5691710725285549
Energy: 0.5232384543313346
Energy: 0.6952102701497052
Energy: 0.5313938201834641
Energy: 0.5375644276348905
Energy: 0.5381640796636923
Energy: 0.5437083143062285
Energy: 0.5500723045913137
Energy: 0.7418026840043547
Energy: 0.5532148072206047
Energy: 0.5362589210551651
Energy: 0.548273149683811
Energy: 0.5541503061542972
Energy: 0.5370390806001358
Energy: 0.7354556132534757
Energy: 0.5445444599532624
Energy: 0.5377053099389704
Energy: 0.5492519078523669
Energy: 0.5382189851251975
Energy: 0.5505702208836183
Energy: 0.6924886189045383
Energy: 0.5058744039671698
Energy: 0.5284229521635776
Energy: 0.5220890385524563
Energy: 0.504379211247472
Energy: 0.5374609178111687
Energy: 0.6118461195763618
Energy: 0.5015677114875323
Energy: 0.5286702390772929
Energy: 0.5318191352308808
Energy: 0.5054737998924921
Energy: 0.5472978121860607
Energy: 0.615546469476499
Energy: 0.5353026493155989
Energy: 0.547910224600558
Energy: 0.5359084999255329
Energy: 0.5314208957691936
Energy: 0.54401845107492
Energy: 0.6674655423762617
Energy: 0.4757981560299638
Energy: 0.4855381739093496
Energy: 0.5549246392057371
Energy: 0.48633308105677014
Energy: 0.49818294046172734
Energy: 0.5735872865130889
Energy: 0.47344657038442917
Energy: 0.47089326876217696
Energy: 0.5574192432257222
Energy: 0.4733602205334235
Energy: 0.5343179343827534
Energy: 0.570913003739739
Energy: 0.5311801638732992
Energy: 0.5355937278766315
Energy: 0.5714400329691668
Energy: 0.530949504298449
Energy: 0.5226437271872288
Energy: 0.5732378899703573
Energy: 0.5129913428872381
Energy: 0.5123441941606534
Energy: 0.5723444690439814
Energy: 0.5160129307678933
Energy: 0.5125309316597685
Energy: 0.6074102490399946
Energy: 0.5319749886453766
Energy: 0.5337769888345767
Energy: 0.5109593458853067
Energy: 0.5455544810018751
Energy: 0.5324616039934356
Energy: 0.6072934114162803
Energy: 0.4920704860889556
Energy: 0.535675658288577
Energy: 0.5539813163865184
Energy: 0.5459413375472385
Energy: 0.5393926694644166
Energy: 0.6073658268009972
Energy: 0.49602112065261494
Energy: 0.5009293340760541
Energy: 0.5028451418778357
Energy: 0.5011932282956773
Energy: 0.5033766592532491
Energy: 0.6394861904095506
Energy: 0.48996475879193824
Energy: 0.5061066559901799
Energy: 0.5065126616999706
Energy: 0.48855540968692246
Energy: 0.5052603898747071
Energy: 0.6451693291120598
Energy: 0.489280771955981
Energy: 0.49710575162242276
Energy: 0.5008610495982715
Energy: 0.5011695717850679
Energy: 0.5287353381514878
Energy: 0.6906788140555038
Energy: 0.5021677853057089
Energy: 0.5029045486894682
Energy: 0.4726680287415486
Energy: 0.5163580728861813
Energy: 0.49316444064127446
Energy: 0.8131089785085345
Energy: 0.5119037348380829
Energy: 0.4853705909467282
Energy: 0.4702538723829104
Energy: 0.498564227147053
Energy: 0.5022816472619632

minimum gb energy = 0.4700999514920098 eV
minimum distance =  2.60575914544896 Angstroms
sigma value = 51


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

Energy: 0.8269526197830822
Energy: 0.5183083576957915
Energy: 0.4890996560672927
Energy: 0.49260226152083264
Energy: 0.5184567570605917
Energy: 0.5533323919682174
Energy: 0.6282803557695882
Energy: 0.4909883973682959
Energy: 0.4905948786515086
Energy: 0.4748922347411912
Energy: 0.515929751509398
Energy: 0.4907456151675938
Energy: 0.7215404648294632
Energy: 0.5063557995193491
Energy: 0.49795931109161745
Energy: 0.4910718128199377
Energy: 0.5187191847247492
Energy: 0.5066291935162578
Energy: 0.7198591436463576
Energy: 0.5072299145793261
Energy: 0.5116638997772908
Energy: 0.46667777343753086
Energy: 0.5043286061739074
Energy: 0.500498156686612
Energy: 0.6281222384526759
Energy: 0.47437157279285047
Energy: 0.4740227616218344
Energy: 0.4746401616435671
Energy: 0.5208077661445062
Energy: 0.5192827755113133
Energy: 0.6280898986679407
Energy: 0.5171881742530958
Energy: 0.5168484692196235
Energy: 0.5191810558213809
Energy: 0.47419795556029515
Energy: 0.5162705978303964
Energy: 0.6308010138221114
Energy: 0.4745270389893989
Energy: 0.4742722341885037
Energy: 0.5196088229645641
Energy: 0.47441718899871693
Energy: 0.47453781997879724
Energy: 0.6200720266457104
Energy: 0.48251852118451666
Energy: 0.4833988397666124
Energy: 0.5040129779119379
Energy: 0.4694714740410274
Energy: 0.48591906697851256
Energy: 0.5412990625945544
Energy: 0.5078946756310304
Energy: 0.5080414654135453
Energy: 0.5180017768233891
Energy: 0.493897887019086
Energy: 0.5175960269051443
Energy: 0.5414849616336316
Energy: 0.4749022366822675
Energy: 0.4907545707094387
Energy: 0.5162351850091182
Energy: 0.47431218682621984
Energy: 0.5040022782868369
Energy: 0.5413404166785185
Energy: 0.48390329755077305
Energy: 0.48400242545307376
Energy: 0.5415854631604993
Energy: 0.48443691394556815
Energy: 0.4950682977155203
Energy: 0.5654772354065908
Energy: 0.4750402172531374
Energy: 0.4744608001522472
Energy: 0.5062290095151193
Energy: 0.5003416959613285
Energy: 0.5039496819773516
Energy: 0.5645065446560108
Energy: 0.5079795101076531
Energy: 0.5076158678178062
Energy: 0.5222318811863039
Energy: 0.492812623734807
Energy: 0.5138835924045722
Energy: 0.5656128310939106
Energy: 0.48506328021728556
Energy: 0.4860683174239839
Energy: 0.5066313969073851
Energy: 0.469898221594947
Energy: 0.486002632398959
Energy: 0.6696656524136807
Energy: 0.49270937396736253
Energy: 0.5081616359748541
Energy: 0.5129243480724982
Energy: 0.4918595640392939
Energy: 0.5081657836663677
Energy: 0.6680608230268509
Energy: 0.5069176774807705
Energy: 0.5017544088374623
Energy: 0.4826032570998761
Energy: 0.5196228818486176
Energy: 0.48495762770348744
Energy: 0.6725491710589339
Energy: 0.5052658093345384
Energy: 0.49008988768709333
Energy: 0.5076338165523733
Energy: 0.5263823262949299
Energy: 0.4907923779038347
Energy: 0.7729331547231509
Energy: 0.5096866000408639
Energy: 0.49464276048297107
Energy: 0.5061869239730273
Energy: 0.4913198227379856
Energy: 0.5042774482535715

minimum gb energy = 0.46667777343753086 eV
minimum distance =  2.64361077693788 Angstroms
sigma value = 19


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

Energy: 0.6858044555891679
Energy: 0.5060736177006276
Energy: 0.5464407089147246
Energy: 0.5481273483657747
Energy: 0.50620785934014
Energy: 0.5072369719575255
Energy: 0.6294510375577352
Energy: 0.5047804609864514
Energy: 0.5044192149883443
Energy: 0.5212160583273453
Energy: 0.504961241729613
Energy: 0.5048378172154844
Energy: 0.5964656216069504
Energy: 0.5047459209899615
Energy: 0.5045392618841888
Energy: 0.5216272811336813
Energy: 0.5048608607157736
Energy: 0.5047617645623225
Energy: 0.5909576875548743
Energy: 0.5042354308316165
Energy: 0.5043695382470224
Energy: 0.5011412687138531
Energy: 0.5043888242360537
Energy: 0.505571713695026
Energy: 0.5971407438394032
Energy: 0.5049356899362505
Energy: 0.5214343339370073
Energy: 0.5224056570914779
Energy: 0.5055483324889066
Energy: 0.5208220559199254
Energy: 0.596577366463167
Energy: 0.4869075324268921
Energy: 0.5212490719472969
Energy: 0.5216234616848531
Energy: 0.48680038223324645
Energy: 0.5218393284075583
Energy: 0.5980413598739257
Energy: 0.5222097840355523
Energy: 0.5214636502653327
Energy: 0.5213623479259607
Energy: 0.49621846174709006
Energy: 0.5215926108634612
Energy: 0.5666207224805885
Energy: 0.4792316590388547
Energy: 0.4793311243316084
Energy: 0.506004107615195
Energy: 0.48018032422840207
Energy: 0.47952147035916637
Energy: 0.504837394628322
Energy: 0.4792460817379239
Energy: 0.4795890294925391
Energy: 0.5049242868175785
Energy: 0.4799157143818327
Energy: 0.47940486870048293
Energy: 0.5049973335265406
Energy: 0.503655223236326
Energy: 0.5053074381503543
Energy: 0.5049505574692814
Energy: 0.5187671587334114
Energy: 0.504513432086907
Energy: 0.5038960079355704
Energy: 0.5017579308625976
Energy: 0.5026356439527958
Energy: 0.5039713369154772
Energy: 0.5020485900526639
Energy: 0.5060856201872088
Energy: 0.5970485578232276
Energy: 0.5220078341636952
Energy: 0.5212020104414942
Energy: 0.5047489281079935
Energy: 0.5185116733974044
Energy: 0.5048339713569049
Energy: 0.49064183352070906
Energy: 0.5214646747908153
Energy: 0.5214236022583514
Energy: 0.4872954330163688
Energy: 0.5214899046061919
Energy: 0.5212103346307198
Energy: 0.5978101953613822
Energy: 0.5225789782923317
Energy: 0.5224736019773623
Energy: 0.5044096061396617
Energy: 0.5221013359287413
Energy: 0.5218977409456073
Energy: 0.6956302560399616
Energy: 0.5050768240773377
Energy: 0.5056475268796955
Energy: 0.4800743630925864
Energy: 0.5047306359791941
Energy: 0.47969872036569033
Energy: 0.6901012078354704
Energy: 0.5199400122246163
Energy: 0.479537623795882
Energy: 0.47930960892444796
Energy: 0.505114989605925
Energy: 0.47954655921197775
Energy: 0.5969395469483665
Energy: 0.5049748545585875
Energy: 0.5046234728837542
Energy: 0.521967312466219
Energy: 0.5046627355665456
Energy: 0.5045818777185359
Energy: 0.5944884636775197
Energy: 0.5053078040149128
Energy: 0.5047463786659772
Energy: 0.5009929343345966
Energy: 0.5049505147079613
Energy: 0.5051140271286909
Energy: 0.5920721948766149
Energy: 0.5046704659802637
Energy: 0.5047613405508061
Energy: 0.5011513294600218
Energy: 0.5046363008108481
Energy: 0.504599558555629
Energy: 0.5973584223321033
Energy: 0.486752137754699
Energy: 0.5173578084765846
Energy: 0.5213653135250682
Energy: 0.48681332938405647
Energy: 0.5198959564393191
Energy: 0.5911094742194235
Energy: 0.5211447409830562
Energy: 0.5217838046658463
Energy: 0.5222017381493685
Energy: 0.5048216199348166
Energy: 0.5224238591985437
Energy: 0.5971754605777675
Energy: 0.4967579129783553
Energy: 0.5214646513469995
Energy: 0.5211757872145802
Energy: 0.4960715584465418
Energy: 0.5213486722879493
Energy: 0.5666222130949792
Energy: 0.48127788818965683
Energy: 0.48127582935699487
Energy: 0.566649878747885
Energy: 0.4814708577780903
Energy: 0.4842683274597859
Energy: 0.5049371132466591
Energy: 0.5213000133882955
Energy: 0.5057754306214381
Energy: 0.5048699844261489
Energy: 0.5063327539320072
Energy: 0.5045753167316811
Energy: 0.5047736346826
Energy: 0.5052034969385705
Energy: 0.5059692527088555
Energy: 0.504854964473054
Energy: 0.5218655374833334
Energy: 0.5044835876742164
Energy: 0.5675558503116838
Energy: 0.5012789484126172
Energy: 0.5038654145421102
Energy: 0.5665467601607348
Energy: 0.5011412926554695
Energy: 0.5044435738420222
Energy: 0.5973797197142041
Energy: 0.5227461616278285
Energy: 0.5212386884614272
Energy: 0.5058573328658061
Energy: 0.5186263857456974
Energy: 0.5211818268314601
Energy: 0.4907679211994323
Energy: 0.5226050629692234
Energy: 0.5165435787335702
Energy: 0.48690271688724773
Energy: 0.522208317679968
Energy: 0.5213414945272016
Energy: 0.5661958217491803
Energy: 0.522261958049098
Energy: 0.5173119563625221
Energy: 0.49655937965337515
Energy: 0.521738978974889
Energy: 0.521429679492886
Energy: 0.6911462291249786
Energy: 0.5065366052232111
Energy: 0.47942680184007114
Energy: 0.4797567625465941
Energy: 0.505812361010731
Energy: 0.4795650641397522

minimum gb energy = 0.4792316590388547 eV
minimum distance =  2.71474490440746 Angstroms
sigma value = 27


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

Energy: 0.589050394254171
Energy: 0.5015408692882236
Energy: 0.579554663142957
Energy: 0.47885681645671474
Energy: 0.5017250699197695
Energy: 0.5793486515554785
Energy: 0.5835546011766164
Energy: 0.4930352844674457
Energy: 0.4568502265112199
Energy: 0.44953197336710776
Energy: 0.49719191177230654
Energy: 0.41899543784353827
Energy: 0.5358775186714908
Energy: 0.49090597456914253
Energy: 0.4486172605752106
Energy: 0.4196853094586404
Energy: 0.4956859723825207
Energy: 0.41919412321745836
Energy: 0.5364191248406321
Energy: 0.4192932302864619
Energy: 0.4185194191681563
Energy: 0.45183337378750216
Energy: 0.4590280343261662
Energy: 0.41838557226336914
Energy: 0.5839731750430294
Energy: 0.42286318482821866
Energy: 0.41950166334730626
Energy: 0.46120806768776373
Energy: 0.4274798595568861
Energy: 0.41939153626144354
Energy: 0.49844634514720537
Energy: 0.39920113156876613
Energy: 0.4237899487048608
Energy: 0.489947574334543
Energy: 0.4242186264187062
Energy: 0.3969662195353162
Energy: 0.5011419315325785
Energy: 0.4461683446794637
Energy: 0.441772954408915
Energy: 0.49802133309336205
Energy: 0.44655522875058973
Energy: 0.44737898568678613
Energy: 0.5006307546046659
Energy: 0.4448675237231252
Energy: 0.44333207285629606
Energy: 0.5000384620274373
Energy: 0.4459504687760085
Energy: 0.4450705047760076
Energy: 0.5342918447641252
Energy: 0.4184812903223465
Energy: 0.4447832588930615
Energy: 0.4988247746898122
Energy: 0.44424911813416007
Energy: 0.41972531321677375
Energy: 0.5366570477787701
Energy: 0.4486975095259333
Energy: 0.4465261761528151
Energy: 0.48438043101527845
Energy: 0.45262559935756647
Energy: 0.4464934255425068
Energy: 0.5354296273786976
Energy: 0.4850327960723465
Energy: 0.4842584112193828
Energy: 0.44758007864729926
Energy: 0.48574647100955265
Energy: 0.44803505198902593
Energy: 0.5351423030842914
Energy: 0.4476662790407734
Energy: 0.45686514899700015
Energy: 0.4493080939752326
Energy: 0.44764373438298183
Energy: 0.418912327856679

minimum gb energy = 0.3969662195353162 eV
minimum distance =  2.73557593754724 Angstroms
sigma value = 9


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

Energy: 0.9701454183695226
Energy: 0.39631181919976494
Energy: 0.4370282817852001
Energy: 0.4088932837443169
Energy: 0.4103966003455745
Energy: 0.4366716153225933
Energy: 0.460065034881168
Energy: 0.39770223389575393
Energy: 0.3829905509562044
Energy: 0.40335817160446635
Energy: 0.42451308465894433
Energy: 0.40372992711950334
Energy: 0.45374957704628316
Energy: 0.4176910339561569
Energy: 0.41579654715723613
Energy: 0.4180302625155294
Energy: 0.4305120235743118
Energy: 0.4138127450522555
Energy: 0.45592660455912454
Energy: 0.38522200541560936
Energy: 0.38500785769755314
Energy: 0.4175519893816347
Energy: 0.39967434714136174
Energy: 0.3853071306056343
Energy: 0.4728119368967636
Energy: 0.3996622213760709
Energy: 0.3756465862971235
Energy: 0.4228133536612105
Energy: 0.39902338163395495
Energy: 0.40823494614393563
Energy: 0.428965335332334
Energy: 0.3820602158555777
Energy: 0.4046775824587698
Energy: 0.4286561932307923
Energy: 0.4108317301782339
Energy: 0.4100009471902353
Energy: 0.42904308482847403
Energy: 0.39018457029925985
Energy: 0.3849453207137616
Energy: 0.42977726446287773
Energy: 0.3872844375592552
Energy: 0.4085334193898478
Energy: 0.4294044569759042
Energy: 0.4046384270379394
Energy: 0.39863322753439884
Energy: 0.42978387052376604
Energy: 0.4168027440686756
Energy: 0.40701072840143143
Energy: 0.4315556384891462
Energy: 0.4061817522717951
Energy: 0.40268756600011785
Energy: 0.4242918698630739
Energy: 0.4194978751535036
Energy: 0.40714140928028714
Energy: 0.42537043472175423
Energy: 0.3882083658104972
Energy: 0.3853031917058852
Energy: 0.40972999864719173
Energy: 0.3974450762262397
Energy: 0.3809961198057266
Energy: 0.4204725034286135
Energy: 0.4261035525140147
Energy: 0.4236301732244389
Energy: 0.4120099676678855
Energy: 0.42871871717720716
Energy: 0.40799941247840166
Energy: 0.4320169574462863
Energy: 0.41341011604030425
Energy: 0.39734914698897555
Energy: 0.3978740955845299
Energy: 0.4293164033467689
Energy: 0.3847091604825767
Energy: 0.5950651005368002
Energy: 0.4129215770078314
Energy: 0.38498071335053047
Energy: 0.3986146298054486
Energy: 0.4121237653170633
Energy: 0.4076818585951203
Energy: 0.48628979661957417
Energy: 0.41037639416240074
Energy: 0.4082844514688702
Energy: 0.39747374896521953
Energy: 0.40778322135226813
Energy: 0.38548640053425864
Energy: 0.4328917590319702
Energy: 0.4117864527341846
Energy: 0.4119422025568068
Energy: 0.4249532609368656
Energy: 0.4135844151438313
Energy: 0.40761704975040397
Energy: 0.42989807844865746
Energy: 0.4075136495936046
Energy: 0.4183579708161483
Energy: 0.43025250720993147
Energy: 0.41723058985433475
Energy: 0.4113299705058693
Energy: 0.4294292781367589
Energy: 0.3852133891074787
Energy: 0.3829017547472928
Energy: 0.42848173034445913
Energy: 0.3943763142634655
Energy: 0.4065441628511747
Energy: 0.4721383214308019
Energy: 0.39701371392904894
Energy: 0.4069921886781236
Energy: 0.41295592993777697
Energy: 0.40286031430813496
Energy: 0.3865987398481475
Energy: 0.4532068074336394
Energy: 0.4022624842699493
Energy: 0.4039165255154206
Energy: 0.4245844290546621
Energy: 0.40190771932404895
Energy: 0.4092851532030033
Energy: 0.45345655205094154
Energy: 0.403651770457863
Energy: 0.40710877815465263
Energy: 0.41894396167295345
Energy: 0.4197972864042192
Energy: 0.4097168919022586
Energy: 0.4536098691950312
Energy: 0.4067955143106371
Energy: 0.4044589881210714
Energy: 0.4126370962173659
Energy: 0.4169827246104481
Energy: 0.4109696818332341
Energy: 0.47322860074752
Energy: 0.3983717784509764
Energy: 0.3996125123673569
Energy: 0.4000278830478667
Energy: 0.41750308002424913
Energy: 0.39639767921055485
Energy: 0.48063065227659363
Energy: 0.3951565513735296
Energy: 0.4062925680046122
Energy: 0.3993488344778487
Energy: 0.42472388463469735
Energy: 0.3872736391581509
Energy: 0.45406945506048924
Energy: 0.3902521006440788
Energy: 0.40773911309469024
Energy: 0.40120761401834465
Energy: 0.4312841312731705
Energy: 0.41269666426414425
Energy: 0.6024464100786556
Energy: 0.390786138815571
Energy: 0.5025445848702474
Energy: 0.40763044566177786
Energy: 0.40038177980050027
Energy: 0.40863656716456065
Energy: 0.45366825074020795
Energy: 0.3856754191453047
Energy: 0.3821528164839067
Energy: 0.42505248963911274
Energy: 0.3983580111877286
Energy: 0.40755433896736715
Energy: 0.4008789160462576
Energy: 0.38263250910614965
Energy: 0.38268880257712934
Energy: 0.4011508437784157
Energy: 0.4060473556387736
Energy: 0.4155118417689505
Energy: 0.4339275894741675
Energy: 0.3852113131801627
Energy: 0.3855000277183155
Energy: 0.4287974022011859
Energy: 0.3992755555846771
Energy: 0.3830665740303947
Energy: 0.4288839028357314
Energy: 0.3983436723447811
Energy: 0.40650778286952505
Energy: 0.42891249673470977
Energy: 0.409541911312492
Energy: 0.4083914583879943
Energy: 0.43190112940985703
Energy: 0.4041916214116899
Energy: 0.4055478617963279
Energy: 0.4216445932026126
Energy: 0.4165271258704939
Energy: 0.385488913101347
Energy: 0.4206879694881596
Energy: 0.38636306288573075
Energy: 0.40615525435396765
Energy: 0.411244393686312
Energy: 0.4058479421699665
Energy: 0.4056153403199018
Energy: 0.4239194850719131
Energy: 0.40629993985115104
Energy: 0.4052132341284155
Energy: 0.4096608062406373
Energy: 0.42894804399225417
Energy: 0.3811324996839296
Energy: 0.44971587277571345
Energy: 0.4132736124675736
Energy: 0.42941339957628033
Energy: 0.4086373561483754
Energy: 0.43062726214721364
Energy: 0.3853926659435464
Energy: 0.44972252071227736
Energy: 0.42880676104520843
Energy: 0.4061374892145715
Energy: 0.40631207243736317
Energy: 0.42831187992153763
Energy: 0.38473897534106855
Energy: 0.4463973094259119
Energy: 0.39911145984346197
Energy: 0.40966108421591046
Energy: 0.40915028086897803
Energy: 0.4231361827476747
Energy: 0.4079865896700949
Energy: 0.4481897171553584
Energy: 0.4123575259268982
Energy: 0.4033915793085119
Energy: 0.4199321344988885
Energy: 0.41366754987239
Energy: 0.38942633484538963
Energy: 0.4306308424335082
Energy: 0.4181681757022276
Energy: 0.42199156223230166
Energy: 0.43066678099676103
Energy: 0.41568000880589173
Energy: 0.3908498538107911
Energy: 0.42967974877485454
Energy: 0.4029227054189772
Energy: 0.4031197515732954
Energy: 0.4287597981986213
Energy: 0.4025359043693939
Energy: 0.4105287415952045
Energy: 0.44427790386777666
Energy: 0.3865248383336569
Energy: 0.3858150181675856
Energy: 0.4521045111189201
Energy: 0.4089213398690993
Energy: 0.43183834992215675
Energy: 0.4537155984260762
Energy: 0.40255651763200984
Energy: 0.4031029308407241
Energy: 0.4242926427694148
Energy: 0.403033478699682
Energy: 0.4035076924871947
Energy: 0.4514215167314776
Energy: 0.412285503959157
Energy: 0.407309283662602
Energy: 0.41765766156057665
Energy: 0.4038933198797117
Energy: 0.40596164843988364
Energy: 0.4535653400853858
Energy: 0.4206495928265302
Energy: 0.40827942714866733
Energy: 0.4089714156365124
Energy: 0.42055273985271296
Energy: 0.40506385909336096
Energy: 0.47108142482740867
Energy: 0.3951048030399404
Energy: 0.40964257511421176
Energy: 0.40483840443755115
Energy: 0.42583968343633377
Energy: 0.38719466265902797

minimum gb energy = 0.3756465862971235 eV
minimum distance =  2.69158651614055 Angstroms
sigma value = 57


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

Energy: 0.27967527159511424
Energy: 0.38372725731738855
Energy: 0.1981823610462357
Energy: 0.19748935945689872
Energy: 0.3837355331417369
Energy: 0.28492115212398356
Energy: 0.49754410013297984
Energy: 0.3521292252874742
Energy: 0.36178452656286814
Energy: 0.3395791049082271
Energy: 0.34385886887892003
Energy: 0.3484919938651682
Energy: 0.39184432805465763
Energy: 0.37029625652511006
Energy: 0.3584535378357897
Energy: 0.3720592110535424
Energy: 0.36712880534835723
Energy: 0.3570754059195807
Energy: 0.39175187474013634
Energy: 0.36621931120912454
Energy: 0.3559792370131007
Energy: 0.3677263040572034
Energy: 0.3672013388479677
Energy: 0.35869171522143006
Energy: 0.389938465502538
Energy: 0.19928374362841916
Energy: 0.21065999497665666
Energy: 0.3685420750371369
Energy: 0.19770333205813548
Energy: 0.3595530942256793
Energy: 0.372924100919374
Energy: 0.1983423623687141
Energy: 0.19882643232201283
Energy: 0.3569220375773618
Energy: 0.20111881044419816
Energy: 0.21091233249635427
Energy: 0.36972876210651845
Energy: 0.3537745801923431
Energy: 0.3606636363074359
Energy: 0.3688690466485421
Energy: 0.3513481515142961
Energy: 0.358250211872841
Energy: 0.372437826143296
Energy: 0.3619700171836433
Energy: 0.3697008257938425
Energy: 0.37181987567126035
Energy: 0.35898828560616824
Energy: 0.3626312755311586
Energy: 0.3954454868251003
Energy: 0.35379307027254325
Energy: 0.3582708754845646
Energy: 0.36518610198171086
Energy: 0.3686829802041056
Energy: 0.3608052831557455
Energy: 0.20096564320909013
Energy: 0.36667812483706164
Energy: 0.19928154037197934
Energy: 0.20129035121314387
Energy: 0.3695043654641761
Energy: 0.21006276809653815
Energy: 0.19680011787511517
Energy: 0.35953721981565645
Energy: 0.36235061273827224
Energy: 0.1971827865552802
Energy: 0.3568468747976627
Energy: 0.19884070676357488
Energy: 0.3965010059985599
Energy: 0.368003514862386
Energy: 0.35796542085979804
Energy: 0.3523343600784473
Energy: 0.3708910104877576
Energy: 0.35877580401627684
Energy: 0.39597439576371574
Energy: 0.3741689703552628
Energy: 0.3663714873992469
Energy: 0.35959386426077294
Energy: 0.3734277085211724
Energy: 0.36846208260678365
Energy: 0.3942363106133327
Energy: 0.36809309597826545
Energy: 0.3696127829852807
Energy: 0.3682176825173754
Energy: 0.36475865310446354
Energy: 0.3688638978492695
Energy: 0.3965567801999814
Energy: 0.20373539975767244
Energy: 0.1980028161002857
Energy: 0.3717230340467562
Energy: 0.1991114339031493
Energy: 0.19793663863760322
Energy: 0.36704275010050674
Energy: 0.35155379985544444
Energy: 0.35673493259827793
Energy: 0.35477844348546983
Energy: 0.19744944207125145
Energy: 0.3597191243487946
Energy: 0.36835258877331395
Energy: 0.35064566642259365
Energy: 0.35926674944323533
Energy: 0.36046744011210835
Energy: 0.3697823998141495
Energy: 0.354883835988532
Energy: 0.3932250100956907
Energy: 0.35905173734319373
Energy: 0.3556911695028985
Energy: 0.34480558426086877
Energy: 0.3315162674620182
Energy: 0.3606364688226836
Energy: 0.2804208940716793
Energy: 0.35380632112863264
Energy: 0.36184942952972327
Energy: 0.19734549628048365
Energy: 0.3563547162907991
Energy: 0.3744565275029973

minimum gb energy = 0.19680011787511517 eV
minimum distance =  2.66456887550131 Angstroms
sigma value = 11


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

Energy: 0.7927719325115768
Energy: 0.33895543363044
Energy: 0.40106269643460696
Energy: 0.356600609532857
Energy: 0.3286223255421835
Energy: 0.3980145422828188
Energy: 0.32799556350055903
Energy: 0.3284593976167311
Energy: 0.3303086161241425
Energy: 0.3249573198844531
Energy: 0.3259001431357628
Energy: 0.3236938063079308
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Energy: 0.3336017274255837
Energy: 0.32872359279875724
Energy: 0.32774431062222875
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Energy: 0.3249233112022846
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Energy: 0.33973294234723067
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Energy: 0.3285794314623245
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Energy: 0.3292807165872676
Energy: 0.32654749845193304
Energy: 0.3901250116482044
Energy: 0.3624414901737629
Energy: 0.33639445973282256
Energy: 0.3249437808363922
Energy: 0.3297608234071692
Energy: 0.34987504407364706
Energy: 0.3647479328365774
Energy: 0.3682942564632145
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Energy: 0.3634135747302925
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Energy: 0.40141277695491356
Energy: 0.33214623872395
Energy: 0.35373589436946345
Energy: 0.37393339515583807
Energy: 0.32985214584949846
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Energy: 0.504257675741682
Energy: 0.38967437484305334
Energy: 0.3880638850415235
Energy: 0.3542984558629938
Energy: 0.3932625817796721
Energy: 0.38835550972986427
Energy: 0.5506328517887649
Energy: 0.364302882045658
Energy: 0.3262777804405979
Energy: 0.46726497430524266
Energy: 0.37953334842437153
Energy: 0.32634817408308586
Energy: 0.3785207747333434
Energy: 0.355040215633634
Energy: 0.3893257893027746
Energy: 0.34273542998697265
Energy: 0.3633171071674543
Energy: 0.3886585495150909
Energy: 0.37629245380770754
Energy: 0.3286823264783904
Energy: 0.3686158607314121
Energy: 0.3342018711552879
Energy: 0.3348443980105609
Energy: 0.36712870723638696
Energy: 0.44690814345210284
Energy: 0.41209746016737797
Energy: 0.33461876072271624
Energy: 0.42495153282398823
Energy: 0.3366335712135654
Energy: 0.3320486748986972
Energy: 0.5044315460373314
Energy: 0.36458042232553495
Energy: 0.3574130806302059
Energy: 0.36966640070941564
Energy: 0.3898292073279269
Energy: 0.35597080927807506
Energy: 0.4609725096185062
Energy: 0.33701539202866565
Energy: 0.3473300182615557
Energy: 0.4687362666012966
Energy: 0.3406581837681692
Energy: 0.3933644598820725
Energy: 0.32473229176741025
Energy: 0.3653845725663624
Energy: 0.3580003460016551
Energy: 0.32507956753908973
Energy: 0.36331132979152936
Energy: 0.3565451351448833
Energy: 0.32373105254799833
Energy: 0.32851445370342247
Energy: 0.32526542541326126
Energy: 0.32374765695819285
Energy: 0.3288308604334052
Energy: 0.3293358215332519
Energy: 0.39048009463258254
Energy: 0.3282730267619608
Energy: 0.3302067977199777
Energy: 0.3287967065789753
Energy: 0.3272996091449662
Energy: 0.3278847294277167
Energy: 0.3724921935538833
Energy: 0.32572541316052256
Energy: 0.3287288206643681
Energy: 0.32306278416864725
Energy: 0.3245704087612035
Energy: 0.36392825322702405

minimum gb energy = 0.311582129529654 eV
minimum distance =  2.67513300934631 Angstroms
sigma value = 41


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

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Energy: 0.36629586277004117
Energy: 0.34870717357974307
Energy: 0.4115565581282533
Energy: 0.38425536325633775
Energy: 0.41151729018204647
Energy: 0.35738589252375913
Energy: 0.35442079842920615
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Energy: 0.3493763055843652
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Energy: 0.34889325485025846
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Energy: 0.3602317810049482
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Energy: 0.36325131518380815
Energy: 0.37310572313606677
Energy: 0.37201046036180774
Energy: 0.331039904204464
Energy: 0.37568534292823125
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Energy: 0.39243250167454674
Energy: 0.3480725917566465
Energy: 0.3470272538996689
Energy: 0.3617716589983579
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Energy: 0.5242983231082857
Energy: 0.3523102526389288
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Energy: 0.45269940943589915
Energy: 0.36406174400834823
Energy: 0.3478170179185804
Energy: 0.3925383895085289
Energy: 0.35240785790204743
Energy: 0.3465926133154462
Energy: 0.35087955700769485
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Energy: 0.33277978771569494
Energy: 0.33188402026836633
Energy: 0.36320078546405826
Energy: 0.3329376543169126
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Energy: 0.33199366758473026
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Energy: 0.3602390285466008
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Energy: 0.3499303085016213
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Energy: 0.3487620882431681
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Energy: 0.36749947384584547
Energy: 0.36209061011593946
Energy: 0.3839567388530364
Energy: 0.41534938912530084
Energy: 0.3530086085478612
Energy: 0.3918455081102353
Energy: 0.3921584114631653
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Energy: 0.3476821860452266
Energy: 0.36038554532482603
Energy: 0.34902431787728616
Energy: 0.34747187659449336
Energy: 0.3632096050278783
Energy: 0.3751918034389675
Energy: 0.35036181205684847
Energy: 0.3584640589318014
Energy: 0.3771223975648667
Energy: 0.3497257294561578
Energy: 0.39191931563968396
Energy: 0.3492724087890964
Energy: 0.34783827244877974
Energy: 0.3605462528454051
Energy: 0.34974534203650665
Energy: 0.34838321277017037
Energy: 0.5249252117634574
Energy: 0.3520550133307518
Energy: 0.3480612000424527
Energy: 0.3515854500672321
Energy: 0.3611640049095212
Energy: 0.34611086334991664
Energy: 0.52494318305402
Energy: 0.35244827719695354
Energy: 0.3471454214789623
Energy: 0.3505826102631576
Energy: 0.36441873501862015
Energy: 0.3476261546923968
Energy: 0.39286013290890714
Energy: 0.35893394883944857
Energy: 0.35724178863841777
Energy: 0.36074284990471994
Energy: 0.3439498217708163
Energy: 0.35550647956959347
Energy: 0.35080054211091016
Energy: 0.33145770767970634
Energy: 0.331198709309559
Energy: 0.3661413948433551
Energy: 0.3314079628675363
Energy: 0.3602109271659512
Energy: 0.35015567935425546
Energy: 0.35285736780384847
Energy: 0.35135804499834455
Energy: 0.348185895919922
Energy: 0.3527497414096935
Energy: 0.3516303450383377
Energy: 0.34975152201277715
Energy: 0.34658555845162925
Energy: 0.34525029347864716
Energy: 0.3497897706325737
Energy: 0.34701455625782945
Energy: 0.34770973917700965
Energy: 0.34919471172008404
Energy: 0.35001380456993436
Energy: 0.346148186599007
Energy: 0.3517501510365742
Energy: 0.34997326652910776
Energy: 0.3477698196154211
Energy: 0.6841678193769223
Energy: 0.3496209956658355
Energy: 0.33352042813237853
Energy: 0.33405267415735473
Energy: 0.3457865368925436
Energy: 0.33259219998829803

minimum gb energy = 0.33102079763786263 eV
minimum distance =  2.69284962506316 Angstroms
sigma value = 33


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

Energy: 0.4751159113602777
Energy: 0.4512889035910504
Energy: 0.38243005029983207
Energy: 0.37743925346028045
Energy: 0.45169505535401916
Energy: 0.3813057766342418
Energy: 0.3996715000612137
Energy: 0.37289699225565803
Energy: 0.3721681169985834
Energy: 0.3837583960090683
Energy: 0.382598012656628
Energy: 0.3733829412213727
Energy: 0.38543399829167513
Energy: 0.3737873788033233
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Energy: 0.38096400625772175
Energy: 0.38665220686276924
Energy: 0.3758208704112938
Energy: 0.3779167347544031
Energy: 0.3737973047880216
Energy: 0.3774946498853565
Energy: 0.3778133747327804
Energy: 0.3846389033104512
Energy: 0.3778043752274945
Energy: 0.3627363277992966
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Energy: 0.38895582186798183
Energy: 0.3635040381293793
Energy: 0.40967481038809855
Energy: 0.37698290168541027
Energy: 0.3779499273345568
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Energy: 0.39236515022250856
Energy: 0.41400182807588254
Energy: 0.3813208577437628
Energy: 0.39328861251714703
Energy: 0.3870720035239816
Energy: 0.3736543278600404
Energy: 0.3754419440547375
Energy: 0.3772687792235779
Energy: 0.3829211599769966
Energy: 0.37607128767127873
Energy: 0.634178068320945
Energy: 0.36498784161771586
Energy: 0.3621475051126708
Energy: 0.3626962482231447
Energy: 0.370072536204784
Energy: 0.36212454504628266

minimum gb energy = 0.3617325911647214 eV
minimum distance =  2.70113906855552 Angstroms
sigma value = 67


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

Energy: 0.5623208836054063
Energy: 0.4236093722484537
Energy: 0.407051220931156
Energy: 0.4079691281089825
Energy: 0.4230973843363894
Energy: 0.40902657995142794
Energy: 0.41968100465560393
Energy: 0.3947044342853666
Energy: 0.39480622101215035
Energy: 0.39447231450737025
Energy: 0.39554711613016463
Energy: 0.39442306466327554
Energy: 0.41468111042670486
Energy: 0.38272314159432924
Energy: 0.39549240662958174
Energy: 0.3958459402365079
Energy: 0.3809990736944834
Energy: 0.39533775075608313
Energy: 0.4148938643158448
Energy: 0.3954551094680841
Energy: 0.39532780616644175
Energy: 0.3939522035323667
Energy: 0.39539177054482216
Energy: 0.395347395010767
Energy: 0.4178178951216601
Energy: 0.3952799919605182
Energy: 0.39622220626191546
Energy: 0.4179409866786793
Energy: 0.3951944344626742
Energy: 0.3965680816955259
Energy: 0.4187797478140028
Energy: 0.3973532946348863
Energy: 0.3973317053046069
Energy: 0.4191122606827681
Energy: 0.3974815157422995
Energy: 0.39761144689176803
Energy: 0.44376555236231313
Energy: 0.3954587548079355
Energy: 0.394552566955022
Energy: 0.3780873644526575
Energy: 0.3951321072164774
Energy: 0.3943519477668094

minimum gb energy = 0.3780873644526575 eV
minimum distance =  2.74430101047642 Angstroms
sigma value = 3


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

Energy: 0.6012109686634853
Energy: 0.5172175209142142
Energy: 0.4558947252237206
Energy: 0.49181470787358467
Energy: 0.5259373589956394
Energy: 0.4505302868276445
Energy: 0.45387543313469453
Energy: 0.4612680022301303
Energy: 0.4600338828434237
Energy: 0.4534504473491131
Energy: 0.4693639129254793
Energy: 0.45571762941703253
Energy: 0.4536852403926297
Energy: 0.45670592610439015
Energy: 0.4558303712812073
Energy: 0.45384705913711987
Energy: 0.4562777412681439
Energy: 0.45194675996018135
Energy: 0.4500140687862961
Energy: 0.45434138532020885
Energy: 0.45246666854887924
Energy: 0.45071726259701517
Energy: 0.45531765619029146
Energy: 0.4510600048157761
Energy: 0.4598218678977876
Energy: 0.45479820615059374
Energy: 0.4546381511041171
Energy: 0.45763939517834296
Energy: 0.4567728681122107
Energy: 0.44963681926173077
Energy: 0.44927322127676433
Energy: 0.4569663166736596
Energy: 0.44994227186430763
Energy: 0.44990829461082527
Energy: 0.4560868794000431
Energy: 0.4500222051352936
Energy: 0.450250868164994
Energy: 0.4514466935889076
Energy: 0.4586189576450989
Energy: 0.45077390137387774
Energy: 0.4572603360840819
Energy: 0.45917539711073496
Energy: 0.5764808236187451
Energy: 0.48151254195001236
Energy: 0.4472268217492552
Energy: 0.4528154447731141
Energy: 0.46140036224084535
Energy: 0.4469482760723194
Energy: 0.4517474809030422
Energy: 0.46042833196182986
Energy: 0.4583509650850782
Energy: 0.45556455660454453
Energy: 0.45991116855147884
Energy: 0.4651128036642723
Energy: 0.44979987665670346
Energy: 0.44559704512324955
Energy: 0.4444799074838246
Energy: 0.44958987003532663
Energy: 0.4464524920437846
Energy: 0.45545371168156307
Energy: 0.46032472170449495
Energy: 0.4481648672211356
Energy: 0.4575173176545382
Energy: 0.4577555775200388
Energy: 0.4450924916168282
Energy: 0.45621526038616833
Energy: 0.4753682538310607
Energy: 0.46121714916007867
Energy: 0.44991064690513033
Energy: 0.45302035848642813
Energy: 0.4581481753009808
Energy: 0.45668387983873693
Energy: 0.45535430532599297
Energy: 0.4495868563646187
Energy: 0.45023617851532816
Energy: 0.44854430958026087
Energy: 0.4499387828219077
Energy: 0.4494621932975245
Energy: 0.4554977140330673
Energy: 0.452710840572658
Energy: 0.4503572320168362
Energy: 0.4542933463535913
Energy: 0.45049149905093155
Energy: 0.451365740227193
Energy: 0.502476037104713
Energy: 0.4559034211744367
Energy: 0.47567606098706483
Energy: 0.4507142942225955
Energy: 0.47875354759453964
Energy: 0.4523550009118408
Energy: 0.4541729511486297
Energy: 0.4567062950463562
Energy: 0.4542646475086346
Energy: 0.45181804591446945
Energy: 0.45321280518224205
Energy: 0.45533965929574405
Energy: 0.5301297250414165
Energy: 0.4514424153553834
Energy: 0.4521146309700582
Energy: 0.4663635969448156
Energy: 0.45253937789695153
Energy: 0.45825984444536505
Energy: 0.4566961657590079
Energy: 0.46700120728612476
Energy: 0.4585027907294318
Energy: 0.447999059398609
Energy: 0.45166673224124143
Energy: 0.4615862139697626
Energy: 0.4538131640033992
Energy: 0.45293633577339015
Energy: 0.45135398172591135
Energy: 0.44761091816715426
Energy: 0.472166804135363
Energy: 0.44413484266025915
Energy: 0.49519321010289874
Energy: 0.44736495676805876
Energy: 0.4511778518778721
Energy: 0.44726893412352736
Energy: 0.44857874741189263
Energy: 0.4441742976356419
Energy: 0.44827729671890393
Energy: 0.45276148539725536
Energy: 0.46121543406322235
Energy: 0.44701900462372274
Energy: 0.4484294323292706
Energy: 0.45990241557483763
Energy: 0.4484913201251589
Energy: 0.44895944808230737
Energy: 0.4488146192290444
Energy: 0.4514226022825083
Energy: 0.4491409580380338
Energy: 0.44878318806248296
Energy: 0.4554738139714433
Energy: 0.45698511042669426
Energy: 0.456275318839315
Energy: 0.45575150725712504
Energy: 0.4482186788308998
Energy: 0.4541471706460851
Energy: 0.4470836247224444
Energy: 0.45319791687109096
Energy: 0.4524494026121732
Energy: 0.4471942052285301
Energy: 0.45340022477894587
Energy: 0.44728722275599175
Energy: 0.4501401672025402
Energy: 0.4517413023254655
Energy: 0.4529264278182111
Energy: 0.48215649618140144
Energy: 0.4523133682766538
Energy: 0.4514285443399324
Energy: 0.6219992896652659
Energy: 0.4798398710212591
Energy: 0.47968203214193417
Energy: 0.458913814331543
Energy: 0.4719308180376039
Energy: 0.45741737652473796
Energy: 0.4423308038650759
Energy: 0.4597392883966467
Energy: 0.4631192051761109
Energy: 0.4432722298584773
Energy: 0.4721182975260672
Energy: 0.4571427904789548
Energy: 0.4507826107060088
Energy: 0.46060121704610546
Energy: 0.45526714799018986
Energy: 0.48971132912579046
Energy: 0.4712186978188572
Energy: 0.45177888396598687
Energy: 0.45407617412417295
Energy: 0.45584137642496775
Energy: 0.45577346730304164
Energy: 0.4543434873312469
Energy: 0.45719262025592167
Energy: 0.45232548693857594
Energy: 0.45044599381173805
Energy: 0.4576121488863928
Energy: 0.45623144814496086
Energy: 0.4512794595455827
Energy: 0.4566547743920934
Energy: 0.4568619371542523
Energy: 0.44977727961495956
Energy: 0.45060455856369125
Energy: 0.4505045951402377
Energy: 0.4499127578428987
Energy: 0.45109778212833
Energy: 0.45042135070689243
Energy: 0.4569359665745776
Energy: 0.45314186175565935
Energy: 0.44769742998874873
Energy: 0.4484484445485431
Energy: 0.45142462585364224
Energy: 0.44794120058398984
Energy: 0.5609095881825413
Energy: 0.4611376909907404
Energy: 0.4686865827171621
Energy: 0.4509703400757606
Energy: 0.4642988724328396
Energy: 0.4515732954692269
Energy: 0.45957299467225843
Energy: 0.44965221615403533
Energy: 0.44985413117517375
Energy: 0.44851506235464644
Energy: 0.4568656303302172
Energy: 0.449748110277441
Energy: 0.449751973409328
Energy: 0.4582463081423487
Energy: 0.4557137964351268
Energy: 0.4454013159563422
Energy: 0.44461272655581174
Energy: 0.44944569527592787
Energy: 0.47831927103405797
Energy: 0.4456377774664481
Energy: 0.44466739318549403
Energy: 0.47760420123330655
Energy: 0.44649860547053527
Energy: 0.45816632995152184
Energy: 0.45858262384113596
Energy: 0.45934807029761254
Energy: 0.4628128815308929
Energy: 0.4467007822195065
Energy: 0.460146061083276
Energy: 0.4479165358079106
Energy: 0.45456810776478923
Energy: 0.45080507746630616
Energy: 0.45028603306964543
Energy: 0.44171248769904886
Energy: 0.4515615600887033
Energy: 0.45062535626717287
Energy: 0.4460202186845997
Energy: 0.4561833992784229
Energy: 0.4570877418478243
Energy: 0.4542247964249702
Energy: 0.453261564459539
Energy: 0.45789567395102204
Energy: 0.4759679456492366
Energy: 0.45514301194375384
Energy: 0.45169950955943483
Energy: 0.4504558934011377
Energy: 0.45410818709098516
Energy: 0.4523313672920312
Energy: 0.47507374363099036
Energy: 0.45162530624520014
Energy: 0.4524316809842774
Energy: 0.4708248912207819
Energy: 0.44913176319648795
Energy: 0.45109987201247004
Energy: 0.45535222379002804
Energy: 0.454150395802049
Energy: 0.4568189093037043
Energy: 0.44789527585957195
Energy: 0.4557225023617726
Energy: 0.4491331688485997
Energy: 0.515892717930272
Energy: 0.4520620652093306
Energy: 0.4480276406709278
Energy: 0.4799331666254888
Energy: 0.4534726727385765
Energy: 0.4678825829965189
Energy: 0.45651258110984794
Energy: 0.4575773576675967
Energy: 0.45172393592782367
Energy: 0.4508080470566787
Energy: 0.4542056325632305
Energy: 0.45190945793903087
Energy: 0.6444664509717389
Energy: 0.4483168719180559
Energy: 0.4729822241331594
Energy: 0.47303332527496494
Energy: 0.447574362610175
Energy: 0.473164487823438
Energy: 0.4565047681210681
Energy: 0.4524579603984654
Energy: 0.4515831313157823
Energy: 0.4533220447077537
Energy: 0.4523295180960525
Energy: 0.45339322094107654
Energy: 0.449779930488971
Energy: 0.45030470061835215
Energy: 0.44956872921190627
Energy: 0.4530042462053688
Energy: 0.45194906411580377
Energy: 0.44884490137627797
Energy: 0.44794695443102556
Energy: 0.4525297756178121
Energy: 0.45026336519135013
Energy: 0.44848135379714044
Energy: 0.45147966905966963
Energy: 0.46360843050878203
Energy: 0.44834098751564816
Energy: 0.4527360370555118
Energy: 0.4525516760172606
Energy: 0.44882506135110933
Energy: 0.4541045971669969
Energy: 0.4481244662120223
Energy: 0.45399764483168564
Energy: 0.451941087405219
Energy: 0.4513726104070657
Energy: 0.46101289085428016
Energy: 0.4527554306066899
Energy: 0.4515950899057035
Energy: 0.4542525022867685
Energy: 0.4647755364591397
Energy: 0.4633530078702395
Energy: 0.45977198869781083
Energy: 0.45845718976618893
Energy: 0.4578126362927442

minimum gb energy = 0.44171248769904886 eV
minimum distance =  2.67500352646843 Angstroms
sigma value = 81


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

Energy: 0.9047237582110449
Energy: 0.5107991695694531
Energy: 0.446529522367851
Energy: 0.44389785508949403
Energy: 0.5107413412376228
Energy: 0.44349445521136216
Energy: 0.45512257893624547
Energy: 0.460599571916221
Energy: 0.46177758892297066
Energy: 0.46185729543515774
Energy: 0.44930980820229016
Energy: 0.4608833536018999
Energy: 0.4659726409736848
Energy: 0.4463540159265845
Energy: 0.44781481944929824
Energy: 0.48304984761754766
Energy: 0.44737610686246393
Energy: 0.4732883624456502
Energy: 0.45666611208865315
Energy: 0.4515813286498567
Energy: 0.4541458110400019
Energy: 0.4568396865212197
Energy: 0.4492778937655304
Energy: 0.45478202339091456
Energy: 0.4585642769416886
Energy: 0.4565339964101098
Energy: 0.455913096937595
Energy: 0.45887250980556477
Energy: 0.4570919212908716
Energy: 0.45960569224435843
Energy: 0.46602360528693526
Energy: 0.46202293461591787
Energy: 0.45694908419029556
Energy: 0.45630725629424157
Energy: 0.46137978669217294
Energy: 0.459025809246411
Energy: 0.4566010433216351
Energy: 0.45463905079414524
Energy: 0.4538326675036645
Energy: 0.44768363495924973
Energy: 0.45748900601879205
Energy: 0.4581093793532483
Energy: 0.5520138963086545
Energy: 0.5032658534317916
Energy: 0.5023596997530907
Energy: 0.43452569021226656
Energy: 0.4980802276453013
Energy: 0.44088305227864255
Energy: 0.4519737074433649
Energy: 0.4579916584316812
Energy: 0.4413085361854082
Energy: 0.4518051449134892
Energy: 0.4425672845511718
Energy: 0.4633300951637612
Energy: 0.4662627316487899
Energy: 0.42659369969667127
Energy: 0.42674582316209886
Energy: 0.4536228127224547
Energy: 0.42556121237547706
Energy: 0.4340820805275695
Energy: 0.4182368524213405
Energy: 0.4346162882086266
Energy: 0.435903037779052
Energy: 0.45194598170724376
Energy: 0.43040117045675075
Energy: 0.44590560894815784
Energy: 0.44324553931985733
Energy: 0.45233141089061485
Energy: 0.4522900744016206
Energy: 0.45061640307412915
Energy: 0.4509343093667491
Energy: 0.45585814546132225
Energy: 0.45056081604185233
Energy: 0.4731922256970442
Energy: 0.45273806482983237
Energy: 0.4520147996394783
Energy: 0.4726602971509675
Energy: 0.4460240963576659
Energy: 0.4169482316079519
Energy: 0.4662785751726031
Energy: 0.467079892244245
Energy: 0.4554354646754521
Energy: 0.44838347118776556
Energy: 0.4688154430374638
Energy: 0.5736103721268586
Energy: 0.4593110830485849
Energy: 0.41737851459996994
Energy: 0.4197908616860472
Energy: 0.4762958561977463
Energy: 0.41747455564031977
Energy: 0.41577293968091295
Energy: 0.41049253971412214
Energy: 0.41858643586551214
Energy: 0.41810625816977637
Energy: 0.41137719007295936
Energy: 0.4182569860775571
Energy: 0.5168414316491192
Energy: 0.43462983596452764
Energy: 0.4348873298039369
Energy: 0.4829132006924272
Energy: 0.4417350797646839
Energy: 0.44984909240647036
Energy: 0.4105802530000636
Energy: 0.4108619884119441
Energy: 0.41867382994169833
Energy: 0.4106170841658816
Energy: 0.4109292183185932
Energy: 0.42089651847602705
Energy: 0.4137015316514823
Energy: 0.41278157002488997
Energy: 0.4142866046402549
Energy: 0.41936423532081973
Energy: 0.41176085227376424
Energy: 0.41648475821337166
Energy: 0.41289297779491
Energy: 0.4124613762693436
Energy: 0.4141032814551958
Energy: 0.41912063647248554
Energy: 0.411669573390565
Energy: 0.4159412996658976
Energy: 0.4103841075215639
Energy: 0.4102096833779949
Energy: 0.4203900553377918
Energy: 0.4109082308069072
Energy: 0.41030736008812985
Energy: 0.4208670875589178
Energy: 0.4732838378519323
Energy: 0.4469966236232391
Energy: 0.46108415151765253
Energy: 0.4675974569260084
Energy: 0.44647569307989937
Energy: 0.46056829974739333
Energy: 0.4173038889890456
Energy: 0.42840213024105006
Energy: 0.42147451614378156
Energy: 0.4179027484224307
Energy: 0.4114636675769308
Energy: 0.4258608418179061
Energy: 0.4789195170226556
Energy: 0.4740865537696562
Energy: 0.41718426899866234
Energy: 0.41461806704448756
Energy: 0.47702192184999465
Energy: 0.41669200707561244
Energy: 0.41853275246670835
Energy: 0.4688821261966513
Energy: 0.47028577682388384
Energy: 0.4556888235715522
Energy: 0.4540906843508482
Energy: 0.4695737126437974
Energy: 0.5131764308905415
Energy: 0.48935688395677784
Energy: 0.4886052180885303
Energy: 0.44505831168338733
Energy: 0.5035743028063803
Energy: 0.46015926182821676
Energy: 0.4787708649213168
Energy: 0.4525523619084301
Energy: 0.45381400710955333
Energy: 0.44905428198384806
Energy: 0.45177579590510847
Energy: 0.45702269015088715
Energy: 0.4176681441819438
Energy: 0.43788412822576395
Energy: 0.4537143027797091
Energy: 0.45569375514879423
Energy: 0.4315921561734039
Energy: 0.4463356314827759
Energy: 0.46457609175963455
Energy: 0.42529120906406515
Energy: 0.42624880295488204
Energy: 0.45199412965108055
Energy: 0.425574381864579
Energy: 0.43482998508046344
Energy: 0.45632575746084864
Energy: 0.45763997676055235
Energy: 0.45939386672881705
Energy: 0.4518995627938437
Energy: 0.4429022049348497
Energy: 0.468645888961299
Energy: 0.4503661481361522
Energy: 0.4790654322214615
Energy: 0.4519757720623257
Energy: 0.4510673674517706
Energy: 0.4780901805722225
Energy: 0.446446948059639
Energy: 0.4578309386453211
Energy: 0.4467037958807088
Energy: 0.4548684581829051
Energy: 0.45180068644305627
Energy: 0.4516685734625596
Energy: 0.45097457620619735
Energy: 0.46739620238934054
Energy: 0.45655067032669505
Energy: 0.4568133791927282
Energy: 0.46104681237288797
Energy: 0.45494092369334366
Energy: 0.4591394598831457
Energy: 0.4619893444532228
Energy: 0.45524515277591593
Energy: 0.4560270199115182
Energy: 0.4609597020083561
Energy: 0.45720429279594504
Energy: 0.46226210907002835
Energy: 0.4625496843071572
Energy: 0.46176930758733314
Energy: 0.46224087006619824
Energy: 0.4630077411268514
Energy: 0.44545215622867523
Energy: 0.4584139434118971
Energy: 0.5231898332572759
Energy: 0.44228464280164625
Energy: 0.4347363873584781
Energy: 0.5099433778149807
Energy: 0.44240757035364503
Energy: 0.5050147357031706
Energy: 0.4569635035328456
Energy: 0.46070005145891524
Energy: 0.4613990120901045
Energy: 0.46184147893806526
Energy: 0.44926226830190336
Energy: 0.4615473702527279
Energy: 0.5321536591196797
Energy: 0.4400991480589261
Energy: 0.44492437820180675
Energy: 0.44288452772647674
Energy: 0.4168671144663735
Energy: 0.4435618641737742

minimum gb energy = 0.4102096833779949 eV
minimum distance =  2.69701589652435 Angstroms
sigma value = 43


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

Energy: 0.649193111767752
Energy: 0.4741671959575079
Energy: 0.4398773167055606
Energy: 0.44189098648493425
Energy: 0.5270345235142297
Energy: 0.43855324404107116
Energy: 0.43360430002873684
Energy: 0.44166540144513017
Energy: 0.44634234085389424
Energy: 0.4663663265724194
Energy: 0.4418624907235827
Energy: 0.4351035714418436
Energy: 0.48397399450704154
Energy: 0.42772321728894225
Energy: 0.4273860597593508
Energy: 0.45146569459509023
Energy: 0.42773057995557534
Energy: 0.4352301060535699
Energy: 0.43255394089724625
Energy: 0.42539363856455553
Energy: 0.43646781969586435
Energy: 0.4324844668477766
Energy: 0.431743415486806
Energy: 0.43578150145919736
Energy: 0.4309473032861669
Energy: 0.43762979451642753
Energy: 0.43482143736728607
Energy: 0.43299971849048663
Energy: 0.43335968457271234
Energy: 0.4345872399638373
Energy: 0.4322276287608779
Energy: 0.434921922922113
Energy: 0.43341364652596587
Energy: 0.43535384920296016
Energy: 0.4352198369484709
Energy: 0.4335509969995169
Energy: 0.4333243630044259
Energy: 0.4367760354925249
Energy: 0.432810035649358
Energy: 0.43667830940008684
Energy: 0.4317222124306892
Energy: 0.4347691550312051
Energy: 0.4861499881190596
Energy: 0.430216461959751
Energy: 0.43025716017630833
Energy: 0.4365034377781919
Energy: 0.4300688326836423
Energy: 0.4319735369427364
Energy: 0.4326710267271249
Energy: 0.4301783969085329
Energy: 0.431661263919282
Energy: 0.43347835420965264
Energy: 0.4306355362193641
Energy: 0.4345639297556607
Energy: 0.4318684226266095
Energy: 0.4371952452942194
Energy: 0.4371768587419195
Energy: 0.4459801631382288
Energy: 0.44999129258037535
Energy: 0.43678057083208266
Energy: 0.43707150358929925
Energy: 0.4450005094747763
Energy: 0.4521481902644587
Energy: 0.43243196612964757
Energy: 0.43364344705801733
Energy: 0.44665001635024787
Energy: 0.4397484168620457
Energy: 0.4322703936129615
Energy: 0.43544385742694086
Energy: 0.43377721943962877
Energy: 0.43173848928529535
Energy: 0.4348511398233914
Energy: 0.4400049275270809
Energy: 0.4339884561518959
Energy: 0.44143136060392413
Energy: 0.42983812801891597
Energy: 0.4333218430502105
Energy: 0.44130323855198883
Energy: 0.4368908839629192
Energy: 0.4339661583325482
Energy: 0.43667918224592894
Energy: 0.4356402588273313
Energy: 0.432847695254938
Energy: 0.4414146979194817
Energy: 0.43701769962117665
Energy: 0.4394502316664261
Energy: 0.4395711662098141
Energy: 0.44124601586075735
Energy: 0.43079633621106034
Energy: 0.43882185020468123
Energy: 0.43724129142981843
Energy: 0.43760315057012955
Energy: 0.44135472131502834
Energy: 0.4372073080870496
Energy: 0.4343770992159643
Energy: 0.44197974820637637
Energy: 0.4374015222018175
Energy: 0.4527015149282447
Energy: 0.4527036034862857
Energy: 0.43756365247301027
Energy: 0.4392149257404889
Energy: 0.4370749871673102
Energy: 0.4367442021621191
Energy: 0.4473527897824998
Energy: 0.45224615746731806
Energy: 0.4447426542917925
Energy: 0.444841534061622
Energy: 0.4437955100890196
Energy: 0.43440859763015405
Energy: 0.43681371669975605
Energy: 0.4438532134615428
Energy: 0.43593367624018275
Energy: 0.43677430792839295
Energy: 0.43798962165787747
Energy: 0.4342845158686831
Energy: 0.4370046742447185
Energy: 0.4436461675516087
Energy: 0.43737428875714146
Energy: 0.4370699407740737
Energy: 0.43553090370305625
Energy: 0.4363880562224019
Energy: 0.4485364514097761
Energy: 0.4476386935259312
Energy: 0.4508064622569283
Energy: 0.441138713512198
Energy: 0.4445475248594204
Energy: 0.49338562141697023
Energy: 0.44230175829257135
Energy: 0.43911987030072974
Energy: 0.47607515711587917
Energy: 0.4267574882954752
Energy: 0.48386542763982776
Energy: 0.44750939716852983
Energy: 0.4483106996150071
Energy: 0.4483382513700867
Energy: 0.4452958881389287
Energy: 0.44507108436392184
Energy: 0.4506008382116963
Energy: 0.47359555658231656
Energy: 0.4370645983482247
Energy: 0.43682939568711193
Energy: 0.45573897729189056
Energy: 0.4384260629565602
Energy: 0.4430186963811313
Energy: 0.48747537849095274
Energy: 0.4367093123789377
Energy: 0.4371962532394104
Energy: 0.4415602262511493
Energy: 0.4366926033412368
Energy: 0.44325951828020865
Energy: 0.4697998623805009
Energy: 0.44236923143981044
Energy: 0.4402584942527219
Energy: 0.444618425689456
Energy: 0.4380453029989088
Energy: 0.4396935392314846
Energy: 0.46947702125230506
Energy: 0.4425652598475108
Energy: 0.44439916413869823
Energy: 0.4356497870030648
Energy: 0.4421349636765021
Energy: 0.44410958995380845
Energy: 0.47057344140596874
Energy: 0.438331803159648
Energy: 0.4369805758727781
Energy: 0.4314594759550238
Energy: 0.43557296011877134
Energy: 0.43602901826153884
Energy: 0.4286173543220197
Energy: 0.4351269470927041
Energy: 0.434081861990015
Energy: 0.42857366655922996
Energy: 0.4362605178890986
Energy: 0.4329882599676671
Energy: 0.43308955300905005
Energy: 0.4382215019391937
Energy: 0.4372053786197098
Energy: 0.4294702583743234
Energy: 0.4329246112914692
Energy: 0.43375812927899915
Energy: 0.4302052023902849
Energy: 0.45900161163077585
Energy: 0.447401678054335
Energy: 0.44235952773470766
Energy: 0.4677333014879629
Energy: 0.42737470318754683

minimum gb energy = 0.42539363856455553 eV
minimum distance =  2.67804013346008 Angstroms
sigma value = 57


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

Energy: 0.6157340756440597
Energy: 0.49906643113474847
Energy: 0.4461207911415098
Energy: 0.420652014966005
Energy: 0.4989090310475339
Energy: 0.44656238876941684
Energy: 0.4438971503117011
Energy: 0.44000785672796516
Energy: 0.43121212354014465
Energy: 0.45237602199315813
Energy: 0.45096836433103
Energy: 0.43205543553874154
Energy: 0.456333222304241
Energy: 0.4145033587211346
Energy: 0.4125044194724729
Energy: 0.44167514784896
Energy: 0.41364346864958346
Energy: 0.4135982563642306
Energy: 0.4422558295590241
Energy: 0.41171555557186723
Energy: 0.41230182727051
Energy: 0.4424901163075622
Energy: 0.41193200118849177
Energy: 0.43360466113054263
Energy: 0.44916140081983696
Energy: 0.4281134250622831
Energy: 0.42808123512181945
Energy: 0.4352546764979229
Energy: 0.43164036121975663
Energy: 0.4350005580542461
Energy: 0.412887648154378
Energy: 0.430605181633182
Energy: 0.42712286149775014
Energy: 0.433939720666259
Energy: 0.4296126235027238
Energy: 0.4283339127169108
Energy: 0.45140811483796217
Energy: 0.4333853784594986
Energy: 0.43322754026249294
Energy: 0.435173355274021
Energy: 0.44479975459360416
Energy: 0.43147326497831523
Energy: 0.453953463946436
Energy: 0.43487018724888066
Energy: 0.42673348175226156
Energy: 0.43095246639005946
Energy: 0.4370235344148674
Energy: 0.438507859025458
Energy: 0.45096315952746036
Energy: 0.4319542429536939
Energy: 0.4286061337016454
Energy: 0.452171255785336
Energy: 0.4504122439395937
Energy: 0.4323343944245601
Energy: 0.4334307006981715
Energy: 0.432519255754362
Energy: 0.43554363667314167
Energy: 0.43282059023994945
Energy: 0.4357287789267304
Energy: 0.4421574649323177
Energy: 0.4553942467759411
Energy: 0.4298881798543169
Energy: 0.4341570231803817
Energy: 0.4388152965227223
Energy: 0.43122004670240494
Energy: 0.4301429494550077
Energy: 0.4188266488579205
Energy: 0.45055999009057185
Energy: 0.4323743199079148
Energy: 0.419158754949705
Energy: 0.4523026726755562
Energy: 0.4306142133091233
Energy: 0.4205401026262601
Energy: 0.4429725022541868
Energy: 0.4605771551828684
Energy: 0.4163844567940269
Energy: 0.45914360808344656
Energy: 0.41238410660271524
Energy: 0.45282834184884874
Energy: 0.4337723431496699
Energy: 0.43198252215480254
Energy: 0.4520010469811824
Energy: 0.42861680999640855
Energy: 0.43334584644610263
Energy: 0.4310450235357989
Energy: 0.4189173820669781
Energy: 0.42021273387280234
Energy: 0.42989269098568483
Energy: 0.4116277629798695
Energy: 0.42071942766722287
Energy: 0.4444589470669485
Energy: 0.4326043385154397
Energy: 0.4313083291991543
Energy: 0.44473093237809846
Energy: 0.43116975540309027
Energy: 0.4313564621988089
Energy: 0.4518095269424034
Energy: 0.43110716926957465
Energy: 0.43109884818242444
Energy: 0.42874668853640313
Energy: 0.43072125161547986
Energy: 0.42891432883650416
Energy: 0.4517742833766049
Energy: 0.4327238417489645
Energy: 0.43304961639415696
Energy: 0.4271532913437097
Energy: 0.4343095122906367
Energy: 0.43438527970107527
Energy: 0.4527249500878501
Energy: 0.4436985362745143
Energy: 0.43382779118124826
Energy: 0.4304863861855233
Energy: 0.4425017773962161
Energy: 0.4303422629825488
Energy: 0.45298874383002213
Energy: 0.4428539076437244
Energy: 0.4347488961182874
Energy: 0.4309200474047087
Energy: 0.44261391747988427
Energy: 0.4304244496550463
Energy: 0.4379020051289734
Energy: 0.43011546164999503
Energy: 0.4322540543361508
Energy: 0.43961330636342016
Energy: 0.45265920456862924
Energy: 0.4318362505578357
Energy: 0.4707608779411655
Energy: 0.4349501769776826
Energy: 0.4281437740117176
Energy: 0.42898341395512757
Energy: 0.439178009236454
Energy: 0.4350920936178229
Energy: 0.45285516386659763
Energy: 0.4364036083473628
Energy: 0.4302601067083866
Energy: 0.4288277860417981
Energy: 0.45283605122727566
Energy: 0.4323350355552921
Energy: 0.4206611787691582
Energy: 0.44248062489403345
Energy: 0.46034353751936996
Energy: 0.4171375919579526
Energy: 0.4264788084713754
Energy: 0.41201824599742065

minimum gb energy = 0.4116277629798695 eV
minimum distance =  2.69756514569358 Angstroms
sigma value = 17


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

Energy: 0.7270482275164224
Energy: 0.46294310912234676
Energy: 0.4745577965943936
Energy: 0.42357637156447964
Energy: 0.4628031905381389
Energy: 0.4318535981419137
Energy: 0.5333362873927936
Energy: 0.4775486557047374
Energy: 0.43385523403953735
Energy: 0.48447809970244243
Energy: 0.4782098153114252
Energy: 0.4399455755763456
Energy: 0.4167523106265001
Energy: 0.4133719948250805
Energy: 0.4128766558504532
Energy: 0.4666393459261507
Energy: 0.4130884551863897
Energy: 0.4233188436737117
Energy: 0.46750902318596044
Energy: 0.4221888739828791
Energy: 0.4220980936612348
Energy: 0.4677934808781774
Energy: 0.3892644769498869
Energy: 0.43823883854433404
Energy: 0.4208867747629719
Energy: 0.4096873860969407
Energy: 0.4068103126238357
Energy: 0.42146897923845383
Energy: 0.4133431496203601
Energy: 0.4077190139643562
Energy: 0.42378694944879014
Energy: 0.4145521509234809
Energy: 0.40616734992688447
Energy: 0.3925714702012255
Energy: 0.4200231414402327
Energy: 0.39114926574061387
Energy: 0.4195149674057759
Energy: 0.41522254894589383
Energy: 0.4157681457617036
Energy: 0.41487681122513803
Energy: 0.41786860710015317
Energy: 0.4025962930608562
Energy: 0.4116465502251199
Energy: 0.3910099708595262
Energy: 0.39114128555662625
Energy: 0.3910326651785912
Energy: 0.39078546640673123
Energy: 0.3908641868458356
Energy: 0.4165978168574597
Energy: 0.389192722050906
Energy: 0.38921059766024746
Energy: 0.41757820472438084
Energy: 0.3901202988073871
Energy: 0.40367740358799054
Energy: 0.4198421881378189
Energy: 0.4059401017989101
Energy: 0.40619855541594346
Energy: 0.4200209664729528
Energy: 0.40527548102881317
Energy: 0.4058747805562123
Energy: 0.4113865074826841
Energy: 0.4070089487792682
Energy: 0.4076357298074638
Energy: 0.4134106784452406
Energy: 0.42176320004857903
Energy: 0.4070350275314223
Energy: 0.4218469421891404
Energy: 0.46910273950369685
Energy: 0.4676234553285512
Energy: 0.4043753444597124
Energy: 0.4693654586488905
Energy: 0.44278685279597424
Energy: 0.4142416923418271
Energy: 0.4667247480107976
Energy: 0.46278084071362807
Energy: 0.40362036680547314
Energy: 0.46641679935621777
Energy: 0.46289946149065275
Energy: 0.420184113429046
Energy: 0.4808801474242184
Energy: 0.43248204769309967
Energy: 0.4219393582422929
Energy: 0.48517196975903637
Energy: 0.4381094627574032
Energy: 0.44977684013761604
Energy: 0.46622512274359035
Energy: 0.46656050221997625
Energy: 0.46419343432771626
Energy: 0.4663224465214186
Energy: 0.45498758903279024
Energy: 0.4183335686711799
Energy: 0.48079488548241217
Energy: 0.43304830057440524
Energy: 0.47814229163965966
Energy: 0.4869288531527804
Energy: 0.4321096505331537
Energy: 0.40150716065587494
Energy: 0.4668332638814715
Energy: 0.4961474463670273
Energy: 0.4162118876119067
Energy: 0.46643432830048626
Energy: 0.46948151134422

minimum gb energy = 0.389192722050906 eV
minimum distance =  2.65145015487018 Angstroms
sigma value = 17


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

Energy: 0.771952562654019
Energy: 0.537885147108326
Energy: 0.43008726265567493
Energy: 0.40651662498988556
Energy: 0.6361734184774256
Energy: 0.43094512969588694
Energy: 0.4344571034216723
Energy: 0.3944980823352326
Energy: 0.3890960386172577
Energy: 0.482093967701539
Energy: 0.4886622344693466
Energy: 0.4288703682069683
Energy: 0.5647425829775709
Energy: 0.3712624566657944
Energy: 0.39876699576996627
Energy: 0.4813900829267612
Energy: 0.3709991742611098
Energy: 0.4024053718499306
Energy: 0.47788263202043685
Energy: 0.4219442380292651
Energy: 0.4213363009623346
Energy: 0.4782879752989885
Energy: 0.3716982999372053
Energy: 0.43410075481713806
Energy: 0.4148572114569098
Energy: 0.39257011420935445
Energy: 0.3939792643016504
Energy: 0.4151862836762717
Energy: 0.4038184044365127
Energy: 0.3900461116730069
Energy: 0.41991136326847145
Energy: 0.3898996783955708
Energy: 0.3688154899961679
Energy: 0.37316297156744777
Energy: 0.40929148069197885
Energy: 0.3695672350065201
Energy: 0.3817505995702836
Energy: 0.4141987779683253
Energy: 0.4092897776361649
Energy: 0.3658910767722098
Energy: 0.4112003034049679
Energy: 0.36435277500246704
Energy: 0.3991243774032146
Energy: 0.3630640332803107
Energy: 0.3664989603147303
Energy: 0.3662447507911454
Energy: 0.3591923125033742
Energy: 0.36702627907707275
Energy: 0.38222151656893816
Energy: 0.37715430748527473
Energy: 0.3782453455203445
Energy: 0.3831105740724239
Energy: 0.37325834841968475
Energy: 0.38140996966213053
Energy: 0.3813975233900046
Energy: 0.35999906232282236
Energy: 0.3604787165122997
Energy: 0.38150380940188855
Energy: 0.3604772706006171
Energy: 0.3601059306657171
Energy: 0.39221911267003934
Energy: 0.3596559974287088
Energy: 0.35944357735414256
Energy: 0.36033523291187075
Energy: 0.38165569172601377
Energy: 0.35999812068994874
Energy: 0.38337467960550053
Energy: 0.3877563058375111
Energy: 0.38156200305487453
Energy: 0.383367847829716
Energy: 0.38500290750858257
Energy: 0.37826876270151116
Energy: 0.3933190619517576
Energy: 0.3671319059298349
Energy: 0.36770614841196775
Energy: 0.36442951118752387
Energy: 0.392381726183364
Energy: 0.36982291105142145
Energy: 0.4085986641700152
Energy: 0.36450554992362144
Energy: 0.3642369256131262
Energy: 0.40958021823835306
Energy: 0.3642997259779974
Energy: 0.40910921308981085
Energy: 0.4089843069560907
Energy: 0.369255288321005
Energy: 0.36800904169346255
Energy: 0.4090559229094371
Energy: 0.36902545333707804
Energy: 0.3849664761840083
Energy: 0.47592082330205754
Energy: 0.4110363448845284
Energy: 0.3894670854468633
Energy: 0.40388431025354726
Energy: 0.4153630862737844
Energy: 0.3928960056294616
Energy: 0.3821220793753884
Energy: 0.4835476006279062
Energy: 0.45893051354019493
Energy: 0.37806161381994063
Energy: 0.4811486113279542
Energy: 0.3954633555598398
Energy: 0.3819405355627892
Energy: 0.47248003165544966
Energy: 0.4684999993870754
Energy: 0.37876300159516024
Energy: 0.480351916100004
Energy: 0.40225335240416055
Energy: 0.4764697394375092
Energy: 0.4634541075741685
Energy: 0.42928074856712745
Energy: 0.4140332540794578
Energy: 0.3979331311450431
Energy: 0.3890997801138282
Energy: 0.5638467967789914
Energy: 0.40527626134983896
Energy: 0.40531585428502426
Energy: 0.46341071231847125
Energy: 0.40543845438144505
Energy: 0.4531280857662343
Energy: 0.46322514165383005
Energy: 0.45561131061759785
Energy: 0.42814681522466236
Energy: 0.47754429530530845
Energy: 0.4415609767815552
Energy: 0.3890577983819085
Energy: 0.38783939819908814
Energy: 0.4516831016799321
Energy: 0.48690917582201276
Energy: 0.3732620175204198
Energy: 0.46383529555964714
Energy: 0.42383166870861116
Energy: 0.39009717928206933
Energy: 0.4718784167115637
Energy: 0.3908716343070315
Energy: 0.38584148155518216
Energy: 0.47019828678658365
Energy: 0.4513605222994585
Energy: 0.5632709469129284
Energy: 0.41222477538866037
Energy: 0.3904709095809842
Energy: 0.47752259872757935
Energy: 0.3839159665798177
Energy: 0.46789817710838344
Energy: 0.48480190571038906
Energy: 0.3732440301654724
Energy: 0.3987956772630333
Energy: 0.4779525389923843
Energy: 0.37325781535912766
Energy: 0.40279663439219104
Energy: 0.41742009130716196
Energy: 0.40570516832004494
Energy: 0.3921557783853329
Energy: 0.41608545811726005
Energy: 0.4041780904616346
Energy: 0.40445504592693443
Energy: 0.3754013241439017
Energy: 0.39432350505118535
Energy: 0.39500948317603807
Energy: 0.37096300217447103
Energy: 0.3932794934736103
Energy: 0.37936374808064804
Energy: 0.3796513445220354
Energy: 0.4132898997905432
Energy: 0.4081819849254684
Energy: 0.3801672091074386
Energy: 0.41059204446148756
Energy: 0.4082208030807124
Energy: 0.3953168607534742
Energy: 0.36555298039776546
Energy: 0.36569554619166117
Energy: 0.364825583944376
Energy: 0.40959684422285575
Energy: 0.36585099095457213
Energy: 0.38817237102952107
Energy: 0.36011991243773683
Energy: 0.36475875989663276
Energy: 0.3874403617089215
Energy: 0.3585301625043026
Energy: 0.3671195107906039
Energy: 0.38493075500417484
Energy: 0.3591658125930184
Energy: 0.35854418799968524
Energy: 0.385851300664534
Energy: 0.35874352210956145
Energy: 0.35822071425495916
Energy: 0.3891058340051683
Energy: 0.35916960423068317
Energy: 0.35955080175865733
Energy: 0.3588891388117287
Energy: 0.35831444082083314
Energy: 0.3595310510575214
Energy: 0.3869079716044225
Energy: 0.38579776432531176
Energy: 0.38107488178204846
Energy: 0.38760532431310907
Energy: 0.3825371438497195
Energy: 0.3814544172457364
Energy: 0.37882366825461006
Energy: 0.3676129704239199
Energy: 0.363622329029738
Energy: 0.36544499570072
Energy: 0.36757049268408837
Energy: 0.3643744228413963
Energy: 0.41366682093039836
Energy: 0.36386551171940024
Energy: 0.3637224122322498
Energy: 0.41458081526338475
Energy: 0.363989502136652
Energy: 0.36435506926700256
Energy: 0.41399789135339726
Energy: 0.3649517399141115
Energy: 0.3891869895176315
Energy: 0.4146902300148427
Energy: 0.36487938994408997
Energy: 0.40607404760571075
Energy: 0.5319356884276066
Energy: 0.38537556267345485
Energy: 0.3916139788967011
Energy: 0.40521169440897126
Energy: 0.41015583004214545
Energy: 0.39028114148358833
Energy: 0.3858126832359292
Energy: 0.404734915132629
Energy: 0.4039374391079347
Energy: 0.39848345461599094
Energy: 0.47730178456162226
Energy: 0.40458342317400614
Energy: 0.38180262620975586
Energy: 0.4458461569260305
Energy: 0.40364623582048326
Energy: 0.3853570584469609
Energy: 0.449637171629652
Energy: 0.3995858289801295
Energy: 0.40921121364940066
Energy: 0.45391322837329423
Energy: 0.47047055976015184
Energy: 0.4157064001832195
Energy: 0.47878463073786987
Energy: 0.42748855811843306
Energy: 0.5351733449390481
Energy: 0.39050165902719575
Energy: 0.4499699542673358
Energy: 0.47929134901111736
Energy: 0.3915417333434329
Energy: 0.45443845953320944
Energy: 0.5621110533662809
Energy: 0.4358656787049535
Energy: 0.3904780320779104
Energy: 0.47783432539120263
Energy: 0.408819448604511
Energy: 0.46837553760095035
Energy: 0.3903179826622515
Energy: 0.47147188314968763
Energy: 0.4682697781233409
Energy: 0.3867831802952005
Energy: 0.46958901587950297
Energy: 0.4365075835571854

minimum gb energy = 0.35822071425495916 eV
minimum distance =  2.6750510465906 Angstroms
sigma value = 57


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

Energy: 0.3579726141346998
Energy: 0.5560720117345122
Energy: 0.41003133636510947
Energy: 0.35966843099219387
Energy: 0.5670243225935143
Energy: 0.41086738497598635
Energy: 0.43480323191291487
Energy: 0.37340096808873185
Energy: 0.3694852515053947
Energy: 0.4676817564017543
Energy: 0.37170680627720426
Energy: 0.37070804186153605
Energy: 0.5347336136607486
Energy: 0.3549559030546598
Energy: 0.35581364515127845
Energy: 0.46798468772285035
Energy: 0.3528159534352485
Energy: 0.3865603113227095
Energy: 0.4588296214101238
Energy: 0.356393024650987
Energy: 0.40869208914119126
Energy: 0.39278842242401774
Energy: 0.35303551443639997
Energy: 0.4117374220180047
Energy: 0.3959295190038023
Energy: 0.3732025265222888
Energy: 0.375078680953856
Energy: 0.3963735671386744
Energy: 0.3903752361182783
Energy: 0.37128225414832733
Energy: 0.3505393155230732
Energy: 0.3701556739981933
Energy: 0.35191026313282653
Energy: 0.3419514448773878
Energy: 0.41089222488506383
Energy: 0.3530306151526873
Energy: 0.37909671731437783
Energy: 0.4051634627816771
Energy: 0.4081254521714033
Energy: 0.34576562159273466
Energy: 0.4029382363512151
Energy: 0.34484328303766276
Energy: 0.4847868263788962
Energy: 0.3427884062663235
Energy: 0.34253101154787063
Energy: 0.3945210066935252
Energy: 0.33530631443087056
Energy: 0.35163305498856173
Energy: 0.3701798334751368
Energy: 0.3627812408738407
Energy: 0.3608109025786809
Energy: 0.37074354866341563
Energy: 0.3550336458769528
Energy: 0.3771395612466788
Energy: 0.37698472461882826
Energy: 0.33458138876903687
Energy: 0.33448466513942404
Energy: 0.3773182404231971
Energy: 0.33524059692781144
Energy: 0.3338803365503254
Energy: 0.3571422106811792
Energy: 0.3638092930390745
Energy: 0.34066771205154656
Energy: 0.33549209445104017
Energy: 0.3623877945664323
Energy: 0.339490546969417
Energy: 0.3702928297502093
Energy: 0.3592525534540691
Energy: 0.36148283683272475
Energy: 0.3487035969531139
Energy: 0.3565520005118516
Energy: 0.33224507449028456
Energy: 0.3629198513587555
Energy: 0.36781724585434894
Energy: 0.3342121896059507
Energy: 0.3334217950728267
Energy: 0.3713457651217151
Energy: 0.33421648532917475
Energy: 0.35435836787440506
Energy: 0.332275091103954
Energy: 0.34492414408478544
Energy: 0.3553632821879609
Energy: 0.3528242007701841
Energy: 0.3627725712308284
Energy: 0.3660251535713925
Energy: 0.3347744298919111
Energy: 0.3337674031943051
Energy: 0.35427049570953584
Energy: 0.33752197795937444
Energy: 0.3335644507769985
Energy: 0.37854591289771905
Energy: 0.3766346589307671
Energy: 0.33495056716704896
Energy: 0.3354922348805757
Energy: 0.3750130829445995
Energy: 0.3347126573383059
Energy: 0.3548202339092091
Energy: 0.37502364574768954
Energy: 0.37710668031834
Energy: 0.33819609499993264
Energy: 0.37270264015674065
Energy: 0.35010912456438725
Energy: 0.35545448085185266
Energy: 0.3498631147412221
Energy: 0.3496877785259398
Energy: 0.3561320277877965
Energy: 0.350940143386379
Energy: 0.3501380257336682
Energy: 0.4008956714929528
Energy: 0.345304466567554
Energy: 0.3734876213339859
Energy: 0.40146658460653595
Energy: 0.3512065407875293
Energy: 0.4091055940447684
Energy: 0.45599503754657905
Energy: 0.3528471569475224
Energy: 0.35319902996475366
Energy: 0.39048663817161705
Energy: 0.3503528251637395
Energy: 0.3695263715863861
Energy: 0.5062046935131059
Energy: 0.39218354623785767
Energy: 0.39189436119991056
Energy: 0.39027023488249185
Energy: 0.3916856213041165
Energy: 0.3735192131509731
Energy: 0.35367763897587917
Energy: 0.440127305880378
Energy: 0.389985858445464
Energy: 0.3447290887700712
Energy: 0.4693365308241915
Energy: 0.37094003286333005
Energy: 0.3712327889678284
Energy: 0.4294873280683209
Energy: 0.41995249918592936
Energy: 0.36181905337269527
Energy: 0.4669469698440948
Energy: 0.41991317176527604
Energy: 0.5039273218528008
Energy: 0.3931594184502481
Energy: 0.37273984346880285
Energy: 0.3913454933821577
Energy: 0.38970930906597556
Energy: 0.3711847714971137
Energy: 0.5375400720973165
Energy: 0.3672447888071538
Energy: 0.3709525497431395
Energy: 0.44323094961654946
Energy: 0.368333370937931
Energy: 0.4272241131454319
Energy: 0.5013226556924685
Energy: 0.4174792070860956
Energy: 0.3701144351125478
Energy: 0.4645333986227976
Energy: 0.41586371431917035
Energy: 0.39144512474445503
Energy: 0.35699475014044796
Energy: 0.4224540017035679
Energy: 0.40864918280126983
Energy: 0.35430546631414267
Energy: 0.42142765720326647
Energy: 0.38283043561742525

minimum gb energy = 0.33224507449028456 eV
minimum distance =  2.69921278755129 Angstroms
sigma value = 43


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

Energy: 0.308453820916434
Energy: 0.3943000095726298
Energy: 0.36241196043368284
Energy: 0.3043592181932166
Energy: 0.40735559273538247
Energy: 0.34128679428644076
Energy: 0.44274931223842373
Energy: 0.31132833956346123
Energy: 0.3077272403384069
Energy: 0.31080125432037525
Energy: 0.3164951776492067
Energy: 0.3082414543656212
Energy: 0.4594050315572719
Energy: 0.2947226502500417
Energy: 0.30608664868012714
Energy: 0.33530069371180954
Energy: 0.2951570719588369
Energy: 0.3054761012573048
Energy: 0.4026882745973679
Energy: 0.3052318626781382
Energy: 0.30750451724411887
Energy: 0.3410150941911614
Energy: 0.34018656237690553
Energy: 0.3522240590863506
Energy: 0.35587792035979265
Energy: 0.31097178961285066
Energy: 0.31120496632387223
Energy: 0.34577016763923385
Energy: 0.31151142672789695
Energy: 0.30719743563546953
Energy: 0.2977661479720804
Energy: 0.3109572242467478
Energy: 0.2985434180920309
Energy: 0.29774615218570416
Energy: 0.35688835506589617
Energy: 0.30701826180283487
Energy: 0.4236277398543535
Energy: 0.3570335470012076
Energy: 0.3393226244321536
Energy: 0.2917419511174124
Energy: 0.35982124382489367
Energy: 0.2900977567494678
Energy: 0.4199478801958145
Energy: 0.28126446177932546
Energy: 0.2862656324746137
Energy: 0.2911277302743379
Energy: 0.2821332793557559
Energy: 0.28606872060349225
Energy: 0.329368248917898
Energy: 0.2855244803760991
Energy: 0.3121299095483634
Energy: 0.33029432990952734
Energy: 0.29426347855613644
Energy: 0.3281222784231189
Energy: 0.329213472655469
Energy: 0.2811134905931486
Energy: 0.28108535715281957
Energy: 0.3289677094029873
Energy: 0.28075280827079624
Energy: 0.28065830441737744
Energy: 0.29487679754075297
Energy: 0.31120063509527035
Energy: 0.2795162337899331
Energy: 0.2900016642567813
Energy: 0.31126160280264176
Energy: 0.27709170845624226
Energy: 0.33071950053774996
Energy: 0.3112950228985719
Energy: 0.3113857241189236
Energy: 0.2770167229412696
Energy: 0.31528328971337904
Energy: 0.27671483100509114
Energy: 0.32995655888529385
Energy: 0.2997926480808753
Energy: 0.3038583261540412
Energy: 0.3040142902219622
Energy: 0.2996708464303897
Energy: 0.3048519847378667
Energy: 0.30083443054404624
Energy: 0.27485712872068163
Energy: 0.3009466845018124
Energy: 0.3017232245125376
Energy: 0.29783850017431646
Energy: 0.30114008906573936
Energy: 0.3011608909160932
Energy: 0.2734899735658312
Energy: 0.27307125177049957
Energy: 0.30086179282654757
Energy: 0.2734687032860806
Energy: 0.27286381681173727
Energy: 0.2978051714878224
Energy: 0.2966340949079392
Energy: 0.27217833165851396
Energy: 0.2858335109672535
Energy: 0.29631679659546967
Energy: 0.2733037743303838
Energy: 0.30240216145376786
Energy: 0.2963941901616961
Energy: 0.2967382599105672
Energy: 0.2859979464865151
Energy: 0.2961651086790585
Energy: 0.27421562999629767
Energy: 0.2974644869360013
Energy: 0.2731193224749297
Energy: 0.27330397269427414
Energy: 0.29673024633048806
Energy: 0.2978566619052994
Energy: 0.27369083850037446
Energy: 0.29617137310853153
Energy: 0.2891986777031203
Energy: 0.29661815612195946
Energy: 0.2969545574477973
Energy: 0.3241898088565152
Energy: 0.2963237181800112
Energy: 0.2968317651681261
Energy: 0.30222871886614766
Energy: 0.27564827659407315
Energy: 0.30225737516339807
Energy: 0.2980857756035919
Energy: 0.27624413434212564
Energy: 0.3126937266062518
Energy: 0.3010634204917357
Energy: 0.3014705722621
Energy: 0.2715864964973682
Energy: 0.30087819916210246
Energy: 0.2764916549054858
Energy: 0.298664572411665
Energy: 0.30126009142407
Energy: 0.2752900217843097
Energy: 0.2758871318543059
Energy: 0.30091839715805774
Energy: 0.2734599524361638
Energy: 0.31183080446419065
Energy: 0.27570491071620934
Energy: 0.2754225924383745
Energy: 0.3111774320048704
Energy: 0.2758816234739083
Energy: 0.27487960895235597
Energy: 0.31086408588776143
Energy: 0.2785228407670756
Energy: 0.3109773849763759
Energy: 0.3117621530987655
Energy: 0.29223197009341073
Energy: 0.31111929748676875
Energy: 0.4090327124311573
Energy: 0.29043000838270633
Energy: 0.2957807569886659
Energy: 0.31375237599892014
Energy: 0.29052471769897226
Energy: 0.3136499992622725
Energy: 0.3780673094657544
Energy: 0.3284069538098579
Energy: 0.32879114673194665
Energy: 0.28017825533888263
Energy: 0.33264274590197945
Energy: 0.27974985617516973
Energy: 0.2963849360749916
Energy: 0.3283771337746366
Energy: 0.289289289303527
Energy: 0.27846771417136007
Energy: 0.32865336933100386
Energy: 0.28345880198602413
Energy: 0.33744273998608115
Energy: 0.29207968930097583
Energy: 0.2913078739100437
Energy: 0.33761155557869693
Energy: 0.2921624528294278
Energy: 0.2903936575082049
Energy: 0.35802715077595204
Energy: 0.2952114049134397
Energy: 0.3416282048957889
Energy: 0.35908146430804244
Energy: 0.28319446037979107
Energy: 0.334059190089027
Energy: 0.4358469141609802
Energy: 0.287974805670579
Energy: 0.29635610177082566
Energy: 0.3102246635738485
Energy: 0.2886358063146216
Energy: 0.29626008656025793
Energy: 0.43561348110751785
Energy: 0.33997313138558954
Energy: 0.3133686079577025
Energy: 0.3159085033555358
Energy: 0.33986436951021004
Energy: 0.31096193899504193
Energy: 0.30238969682283645
Energy: 0.3539882974607973
Energy: 0.32621669264497
Energy: 0.29344405121264816
Energy: 0.379609125178644
Energy: 0.30930707714725875
Energy: 0.3676648865242014
Energy: 0.3407570043795072
Energy: 0.3374385536866275
Energy: 0.3430941473950607
Energy: 0.33981144779327094
Energy: 0.31557671904051765
Energy: 0.43602321909632846
Energy: 0.31951902240918073
Energy: 0.3243793908516046
Energy: 0.34113401594500775
Energy: 0.33948710665359233
Energy: 0.36916794866846153
Energy: 0.46014753255028146
Energy: 0.30631839598224087
Energy: 0.3206650406748696
Energy: 0.3655870864097599
Energy: 0.3058596538500121
Energy: 0.3469126300434072
Energy: 0.44274526870663033
Energy: 0.34040969828496603
Energy: 0.341499514876489
Energy: 0.31309389328133497
Energy: 0.3397395516538924
Energy: 0.30893035736186625

minimum gb energy = 0.2715864964973682 eV
minimum distance =  2.72080373266914 Angstroms
sigma value = 81


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

Energy: 0.15839469286337837
Energy: 0.3126405506310746
Energy: 0.015145207825099295
Energy: 0.01599953921509422
Energy: 0.31184498983647296
Energy: 0.15860122417092562
Energy: 0.5056280272658015
Energy: 0.32317984301687835
Energy: 0.29657033207209227
Energy: 0.3240177838230289
Energy: 0.29809570522267687
Energy: 0.29429709660021564
Energy: 0.30962138768011666
Energy: 0.014932599013996682
Energy: 0.014909798310672245
Energy: 0.3224202960972669
Energy: 0.014860841270940374
Energy: 0.035050896582237596
Energy: 0.3045022703052467
Energy: 0.015012169196825553
Energy: 0.015043826905773076
Energy: 0.3118852756764062
Energy: 0.014846871444079783
Energy: 0.03425131770255318
Energy: 0.033979106415271
Energy: 0.3232144053611488
Energy: 0.3240135786318389
Energy: 0.03440395923704022
Energy: 0.32304732151281895
Energy: 0.32478980404456054
Energy: 0.0152304628538318
Energy: 0.30348979880048776
Energy: 0.015143971709229223
Energy: 0.016132364848504978
Energy: 0.3034635746553381
Energy: 0.014889781890954057
Energy: 0.32260875200638234
Energy: 0.299607409358398
Energy: 0.3229460810105516
Energy: 0.3277327762535577
Energy: 0.3247583950922022
Energy: 0.30347937272136893
Energy: 0.3219212959083337
Energy: 0.01484469808221973
Energy: 0.015041647774606792
Energy: 0.3283954570185725
Energy: 0.01476033604017552
Energy: 0.015152714179600206
Energy: 0.29198788094380157
Energy: 0.015031670376106478
Energy: 0.03522856610719614
Energy: 0.30424507232009446
Energy: 0.01500623128238811
Energy: 0.034860227091662484
Energy: 0.15917148637632264
Energy: 0.3183126188293618
Energy: 0.31616125409487217
Energy: 0.015250763091628134
Energy: 0.3159672186856629
Energy: 0.33682436214992545

minimum gb energy = 0.01476033604017552 eV
minimum distance =  2.73158048685305 Angstroms
sigma value = 3


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

Energy: 0.34739807044099724
Energy: 0.34239456795925916
Energy: 0.34634381471013964
Energy: 0.28708816839065526
Energy: 0.34237275310178983
Energy: 0.3209269219619737
Energy: 0.35341025249629016
Energy: 0.3423662743418924
Energy: 0.35796240577204463
Energy: 0.34579637199315083
Energy: 0.34478597034108716
Energy: 0.36458690426492335
Energy: 0.35260945258736626
Energy: 0.32925722891249637
Energy: 0.3294727083415516
Energy: 0.34051734355604096
Energy: 0.2980057207863236
Energy: 0.3619548075574332
Energy: 0.3365337128089258
Energy: 0.3296261957789532
Energy: 0.3297152108891227
Energy: 0.33669703554653196
Energy: 0.29659887283399033
Energy: 0.34422049790647097
Energy: 0.3043806385725853
Energy: 0.34722559706357115
Energy: 0.3438609316026266
Energy: 0.30430919980475113
Energy: 0.34452816500606764
Energy: 0.3641817832512281
Energy: 0.3332791635447303
Energy: 0.3478431307382942
Energy: 0.3362614031297813
Energy: 0.28355799721729946
Energy: 0.34858860405300507
Energy: 0.3190497006433427
Energy: 0.3355088710059742
Energy: 0.31422001915611464
Energy: 0.3402167533719837
Energy: 0.3354581476258359
Energy: 0.3152852745993384
Energy: 0.3429129900385546
Energy: 0.3328723927049433
Energy: 0.2882882026096024
Energy: 0.32620481093149734
Energy: 0.33277348097475506
Energy: 0.2726635912371467
Energy: 0.31419749245163836
Energy: 0.35322754274633233
Energy: 0.3272777591538366
Energy: 0.33774094106868374
Energy: 0.3416489497653275
Energy: 0.28553561337024247
Energy: 0.3391504187201753
Energy: 0.291892991349832
Energy: 0.31066832894537616
Energy: 0.3102634650069891
Energy: 0.31862046747981215
Energy: 0.3143779092260187
Energy: 0.31998076081693627
Energy: 0.27267883715288094
Energy: 0.33045546494492534
Energy: 0.3315184106916842
Energy: 0.275690907060793
Energy: 0.27538858596108473
Energy: 0.3155724124861868
Energy: 0.29512761713051777
Energy: 0.3359426785215184
Energy: 0.33683001666669155
Energy: 0.2938522035604837
Energy: 0.28616487841987065
Energy: 0.28954946456999886
Energy: 0.290866080544854
Energy: 0.2666999121522321
Energy: 0.3197105422571355
Energy: 0.29093824748245195
Energy: 0.269112608640147
Energy: 0.2923498894542992
Energy: 0.3308224404040603
Energy: 0.3008095844869803
Energy: 0.32244420225948045
Energy: 0.2923221267234463
Energy: 0.2762442335521489
Energy: 0.3220203039152828
Energy: 0.33169172249134216
Energy: 0.27566103538292036
Energy: 0.2753077415068879
Energy: 0.3312807670590942
Energy: 0.2796412842754926
Energy: 0.2753052709468756
Energy: 0.2703438618826185
Energy: 0.3143314692471397
Energy: 0.3136662918712366
Energy: 0.271296120814554
Energy: 0.32837953695968347
Energy: 0.31378615024468415
Energy: 0.2731434571050386
Energy: 0.3141537089656271
Energy: 0.31177681453057265
Energy: 0.271621391551621
Energy: 0.2781393321016372
Energy: 0.2674408769352091
Energy: 0.2681234676210893
Energy: 0.31133185660003226
Energy: 0.31068763879200645
Energy: 0.26821341941568133
Energy: 0.27156130149218105
Energy: 0.3094417452215573
Energy: 0.33661713982087527
Energy: 0.2921363408468927
Energy: 0.3088951313787699
Energy: 0.27130580099514545
Energy: 0.2680915456888395
Energy: 0.309228250987774
Energy: 0.32981187394786193
Energy: 0.26844482482855103
Energy: 0.2675493021819444
Energy: 0.3297652811923675
Energy: 0.2723334802062004
Energy: 0.2676674091012595
Energy: 0.32904572112308716
Energy: 0.31383888244278474
Energy: 0.31389466232377866
Energy: 0.32833319710362335
Energy: 0.3132670107780876
Energy: 0.3128049995796287
Energy: 0.2787793355825804
Energy: 0.31109047483814845
Energy: 0.29627151082490605
Energy: 0.27867169981045053
Energy: 0.3115690891768164
Energy: 0.27535820893457547
Energy: 0.2754852329711839
Energy: 0.32191076446491085
Energy: 0.32273240056620345
Energy: 0.27548985938176407
Energy: 0.29383632138821947
Energy: 0.3195801039942094
Energy: 0.2740526044805771
Energy: 0.2907294683007777
Energy: 0.29073685391202087
Energy: 0.26953021138785505
Energy: 0.29017393655793333
Energy: 0.312883357044737
Energy: 0.30653021938275893
Energy: 0.29010083967430456
Energy: 0.2897373230769755
Energy: 0.2774333178067011
Energy: 0.29495746924600924
Energy: 0.28993409347023047
Energy: 0.2758109439785752
Energy: 0.28082776618840666
Energy: 0.3227043197295442
Energy: 0.27585577192051364
Energy: 0.2928237342749427
Energy: 0.3316117669203919
Energy: 0.313170442333822
Energy: 0.32241905854098046
Energy: 0.3254240148791582
Energy: 0.3132404153823492
Energy: 0.28285158566660934
Energy: 0.3203324024109431
Energy: 0.2966614049023999
Energy: 0.30407998343532633
Energy: 0.30527832117992115
Energy: 0.2966083737829895
Energy: 0.30504117235090905
Energy: 0.30692433795819657
Energy: 0.33691678336330855
Energy: 0.33338735819760085
Energy: 0.32896236443252613
Energy: 0.2787678659984322
Energy: 0.33359570474901595
Energy: 0.317908899734166
Energy: 0.3160357306031612
Energy: 0.3446330551893344
Energy: 0.3430539499877569
Energy: 0.3160605211780784
Energy: 0.33798883562312204
Energy: 0.33784949136666875
Energy: 0.33765162886924877
Energy: 0.29298653600924374
Energy: 0.3289390434269122
Energy: 0.3373323726548874
Energy: 0.274753371349023
Energy: 0.32919518511918977
Energy: 0.3532153002392323
Energy: 0.33086890770552363
Energy: 0.3516534889015568
Energy: 0.36191526376385846
Energy: 0.29162776541316765
Energy: 0.36394242754659595
Energy: 0.3110208073005058
Energy: 0.3331099287189669
Energy: 0.33652330889593285
Energy: 0.3110697979574869
Energy: 0.33722757519884855
Energy: 0.3268672997548727

minimum gb energy = 0.2666999121522321 eV
minimum distance =  2.6633731916892 Angstroms
sigma value = 67


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

Energy: 0.4224705741684605
Energy: 0.4256010036413973
Energy: 0.41954470128789956
Energy: 0.35569767760936166
Energy: 0.4246832284790113
Energy: 0.41883538810387994
Energy: 0.4370108084049574
Energy: 0.4273150335946433
Energy: 0.42538809728122595
Energy: 0.41955237480025837
Energy: 0.42615397040194053
Energy: 0.4199282894696988
Energy: 0.429762061915421
Energy: 0.3688392993328645
Energy: 0.41379365693644904
Energy: 0.4185550431494281
Energy: 0.3671600330483202
Energy: 0.41271885987432705
Energy: 0.402262533965906
Energy: 0.40082419779386425
Energy: 0.40771973589990085
Energy: 0.4027795574752778
Energy: 0.4028651072664649
Energy: 0.41699771366965105
Energy: 0.3944759478108919
Energy: 0.4341721782868849
Energy: 0.43772360330544796
Energy: 0.39457943187260536
Energy: 0.4274289643173612
Energy: 0.41802274531542494
Energy: 0.40515103785809636
Energy: 0.38908036158071535
Energy: 0.4054502992527265
Energy: 0.37035373171521385
Energy: 0.3897892868804185
Energy: 0.4043158986316747
Energy: 0.40534037045083493
Energy: 0.3714371309861818
Energy: 0.412584363081675
Energy: 0.40608016996120716
Energy: 0.3715706334997469
Energy: 0.37221593613028064
Energy: 0.40232937432676164
Energy: 0.3536943255606846
Energy: 0.40125143467694363
Energy: 0.4016146491819328
Energy: 0.3523160972107172
Energy: 0.40083537212823767
Energy: 0.41712951746136884
Energy: 0.3721755319287327
Energy: 0.37166040279278284
Energy: 0.3724274049774045
Energy: 0.3688533187305433
Energy: 0.41889096795648645
Energy: 0.38793283835277687
Energy: 0.373468652801093
Energy: 0.37474198935845
Energy: 0.38805523061100383
Energy: 0.3710064607526117
Energy: 0.3690393011083986
Energy: 0.35140815619433724
Energy: 0.40194002957743413
Energy: 0.4025313165469423
Energy: 0.35382767804642357
Energy: 0.4116394931432118
Energy: 0.40331097673134325
Energy: 0.3561640831925906
Energy: 0.3740826138344997
Energy: 0.3998804796192595
Energy: 0.35686133439243195
Energy: 0.3711960576929468
Energy: 0.3524918240820253
Energy: 0.35853973830687086
Energy: 0.3562880322191242
Energy: 0.39580302015152424
Energy: 0.35903855089323045
Energy: 0.35371507762870447
Energy: 0.352455587943922
Energy: 0.4164888873552491
Energy: 0.37906045603994226
Energy: 0.396146568567941
Energy: 0.35287861727754527
Energy: 0.3851280886448028
Energy: 0.395224018600231
Energy: 0.40954502755917993
Energy: 0.35573120273613407
Energy: 0.3574671094635073
Energy: 0.4103488246121325
Energy: 0.3532566185554661
Energy: 0.3529900782847276
Energy: 0.40887222276037916
Energy: 0.4046386174853228
Energy: 0.4021788830251635
Energy: 0.3707655067815472
Energy: 0.38548070374103366
Energy: 0.39991446278354964
Energy: 0.37482588062224204
Energy: 0.3503785201122052
Energy: 0.3939312471770385
Energy: 0.37503759724833735
Energy: 0.3482672116902029
Energy: 0.3702911005842467
Energy: 0.3756984470109595
Energy: 0.3732102860078042
Energy: 0.4209511327646588
Energy: 0.37632752444757867
Energy: 0.37182036014177117
Energy: 0.369634572270312
Energy: 0.40503371189065174
Energy: 0.35815902756083484
Energy: 0.40831733098890866
Energy: 0.3589493613060878
Energy: 0.35788760845113105
Energy: 0.40960758085130633
Energy: 0.3730651600556517
Energy: 0.4070626280494522
Energy: 0.41110536112432355
Energy: 0.3739634105852655
Energy: 0.4017594063654947
Energy: 0.40430588735542994
Energy: 0.40705645961405823
Energy: 0.3852036716806964
Energy: 0.4217194101338685
Energy: 0.40660685823038517
Energy: 0.39782567906710975
Energy: 0.42191693247292794
Energy: 0.42909156557632416
Energy: 0.35770175487077455
Energy: 0.4211739019311181
Energy: 0.4189924324275178
Energy: 0.3556121573355353
Energy: 0.4212401176534792
Energy: 0.4178582769222388
Energy: 0.40533199070150194
Energy: 0.4102873732496074
Energy: 0.4178571020720997
Energy: 0.4029819751567945
Energy: 0.4129377864825038

minimum gb energy = 0.3482672116902029 eV
minimum distance =  2.65545543442518 Angstroms
sigma value = 33


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

Energy: 0.7259057721671092
Energy: 0.45536077195995633
Energy: 0.49497558916992473
Energy: 0.42274892131884123
Energy: 0.4553392638346261
Energy: 0.47547494783408173
Energy: 0.48573747682124896
Energy: 0.44301464693611226
Energy: 0.4471557322705715
Energy: 0.44130467774686405
Energy: 0.4877362849512086
Energy: 0.4480406998511404
Energy: 0.49779213888449253
Energy: 0.444592396734556
Energy: 0.4463711671741907
Energy: 0.44828319948219436
Energy: 0.4396030722549437
Energy: 0.47194870500962005
Energy: 0.4424885462260155
Energy: 0.4446595472617866
Energy: 0.45540895422394295
Energy: 0.44302009784751356
Energy: 0.44922250659411
Energy: 0.4715096010150993
Energy: 0.4417308955385971
Energy: 0.40978377434369556
Energy: 0.48955709416258975
Energy: 0.44148673969693675
Energy: 0.44607666148179836
Energy: 0.4470375901631523
Energy: 0.40553401773137326
Energy: 0.4079045551371738
Energy: 0.4089470553196866
Energy: 0.40876233483461716
Energy: 0.4077046088552516
Energy: 0.405560277535695
Energy: 0.44132720394017005
Energy: 0.4481848668235998
Energy: 0.4501523813411526
Energy: 0.44190771105737503
Energy: 0.40870093359704
Energy: 0.446777695908166
Energy: 0.44308788893967
Energy: 0.4131629667263225
Energy: 0.4082345227226606
Energy: 0.44305364485003396
Energy: 0.4102804300287229
Energy: 0.4468850088522026
Energy: 0.43714940396834745
Energy: 0.4105217676351004
Energy: 0.4430620282382327
Energy: 0.4126984730126242
Energy: 0.40845025034122645
Energy: 0.46117722151566815
Energy: 0.4370709536506372
Energy: 0.41189564467067397
Energy: 0.40830993513809755
Energy: 0.4357886668151624
Energy: 0.409139206954871
Energy: 0.4078457556416574
Energy: 0.4349940943783059
Energy: 0.409371028161232
Energy: 0.40885295922872417
Energy: 0.4094090957773368
Energy: 0.4368837121500554
Energy: 0.4078104351142392
Energy: 0.4143779534663546
Energy: 0.40780115087317587
Energy: 0.4080481902803844
Energy: 0.4078019748304748
Energy: 0.4194471496812434
Energy: 0.40822349208841413
Energy: 0.41268595974338296
Energy: 0.4484769130389285
Energy: 0.4278708491056003
Energy: 0.41357217592226697
Energy: 0.4123183439959396
Energy: 0.4079662608717624
Energy: 0.3965871378113866
Energy: 0.4118073577191174
Energy: 0.44880034762732246
Energy: 0.39868356997660903
Energy: 0.4369744759326585
Energy: 0.396365316763613
Energy: 0.3982535815209067
Energy: 0.4484868386313878
Energy: 0.449665391747902
Energy: 0.39771958569354243
Energy: 0.4438863859698711
Energy: 0.43062981676785544
Energy: 0.4136441464094182
Energy: 0.41623444842300916
Energy: 0.4508911872993692
Energy: 0.4131481247662493
Energy: 0.4160237301537595
Energy: 0.44970421638457303
Energy: 0.4949965744308495
Energy: 0.42146600771010223
Energy: 0.4157488245465336
Energy: 0.4499398539385905
Energy: 0.4184342307402706
Energy: 0.4631826053334331
Energy: 0.5192906077873942
Energy: 0.44616761849007724
Energy: 0.44925098928343726
Energy: 0.4893294563302933
Energy: 0.44431049567085007
Energy: 0.47897152915665675
Energy: 0.46454066834228147
Energy: 0.4465606769796565
Energy: 0.41725126735535817
Energy: 0.4179825675914534
Energy: 0.44677831037364485
Energy: 0.44911588793611545
Energy: 0.4617793080784508
Energy: 0.4453072686018928
Energy: 0.41273789988703014
Energy: 0.4627303737977339
Energy: 0.44550584173685914
Energy: 0.4469764022350151
Energy: 0.49597617893632273
Energy: 0.40808739328067006
Energy: 0.42578583275067905
Energy: 0.44688638142461695
Energy: 0.4500397767849733
Energy: 0.44306280528842756
Energy: 0.4422479406064497
Energy: 0.4438357920895867
Energy: 0.44631886728328996
Energy: 0.44253993522750124
Energy: 0.44291396549557355
Energy: 0.47186606719106433
Energy: 0.4418262738145773
Energy: 0.4123454267523945
Energy: 0.4473277158907156
Energy: 0.4419309803314648
Energy: 0.4457455336457041
Energy: 0.44811589628060317
Energy: 0.40636119893242884
Energy: 0.40830379094920327
Energy: 0.40821425159654434
Energy: 0.4107880119165107
Energy: 0.4077599751134348
Energy: 0.44584876533631673
Energy: 0.4411948480272886
Energy: 0.4479133376049949
Energy: 0.4495098606185098
Energy: 0.4416832101579567
Energy: 0.44663985309894577
Energy: 0.44656533131868736
Energy: 0.4454313995220362
Energy: 0.41254761634423637
Energy: 0.40831095999438466
Energy: 0.4458347575260062
Energy: 0.40968256150149046
Energy: 0.4464915545781766
Energy: 0.4372174595894755
Energy: 0.4080290230134793
Energy: 0.40844690646650705
Energy: 0.4130738367562645
Energy: 0.41877228283730766
Energy: 0.46180658404404007
Energy: 0.43735271151848
Energy: 0.412210763760614
Energy: 0.408572274630124
Energy: 0.41292014693625123
Energy: 0.4092758857429249
Energy: 0.4077040391430383
Energy: 0.4428900403087027
Energy: 0.4370851208077801
Energy: 0.41055886070514913
Energy: 0.41049177529177794
Energy: 0.4087979621990107
Energy: 0.40774050261438133
Energy: 0.40740898935356407
Energy: 0.4077641784249881
Energy: 0.4078763821192858
Energy: 0.40746718826548917
Energy: 0.41649744050890075
Energy: 0.4079853308618651
Energy: 0.41068627983121
Energy: 0.44841133883516526
Energy: 0.40800136178475355
Energy: 0.4114439665254046
Energy: 0.4125487734289359
Energy: 0.40787357425879844
Energy: 0.39788826798118265
Energy: 0.4484638425388419
Energy: 0.4486559822352447
Energy: 0.3980947057953287
Energy: 0.4371937035374217
Energy: 0.39632928870593054
Energy: 0.3981165532066346
Energy: 0.4489647013903773
Energy: 0.44967476083556185
Energy: 0.3987606332433296
Energy: 0.4445463271457621
Energy: 0.42833287425415134
Energy: 0.41342586317339
Energy: 0.45341707173733237
Energy: 0.44661580612390617
Energy: 0.41280916856171757
Energy: 0.4157515869991383
Energy: 0.45050617643489466
Energy: 0.5198220499114546
Energy: 0.4164278775606518
Energy: 0.4157810290412809
Energy: 0.4476759149296443
Energy: 0.3983098668893937
Energy: 0.45199000132354644
Energy: 0.5170097490218598
Energy: 0.4423552460981251
Energy: 0.4126009552536618
Energy: 0.4443945952572421
Energy: 0.44566032061560307
Energy: 0.47771951616235786
Energy: 0.4435590233025034
Energy: 0.4473794216944008
Energy: 0.41818547903389763
Energy: 0.4167772600291828
Energy: 0.44793302314281025
Energy: 0.41328681273782997

minimum gb energy = 0.39632928870593054 eV
minimum distance =  2.65419869657769 Angstroms
sigma value = 41


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

Energy: 0.6814964950833916
Energy: 0.5408211270227931
Energy: 0.53766760436063
Energy: 0.47435852893075264
Energy: 0.5406695995090738
Energy: 0.4763274166386625
Energy: 0.5646130425167869
Energy: 0.5030749718231592
Energy: 0.48417154904907
Energy: 0.5004702499292571
Energy: 0.5018773167370912
Energy: 0.4835708826904603
Energy: 0.57595545209707
Energy: 0.4735255874724352
Energy: 0.47200760747525006
Energy: 0.5001476840892399
Energy: 0.49614415763861613
Energy: 0.47165875857050354
Energy: 0.5036132873958417
Energy: 0.4736698340383876
Energy: 0.4719861368303851
Energy: 0.5037697100171457
Energy: 0.47512877310036805
Energy: 0.49188281514141563
Energy: 0.4920698721757249
Energy: 0.48502541156331036
Energy: 0.47402480271713704
Energy: 0.49192461239234786
Energy: 0.5032574797569838
Energy: 0.4736228347316713
Energy: 0.5105426696243178
Energy: 0.5097723496389124
Energy: 0.4736416755310606
Energy: 0.47457431430382657
Energy: 0.5216983312914054
Energy: 0.4735194763863581
Energy: 0.4914866520366863
Energy: 0.48451246454637814
Energy: 0.4746451968961137
Energy: 0.49162496701055836
Energy: 0.5052362158552285
Energy: 0.4749924655077404
Energy: 0.493279589561733
Energy: 0.4742698720754192
Energy: 0.47377851206273347
Energy: 0.49410197535822376
Energy: 0.47529716092704793
Energy: 0.4761440637417688
Energy: 0.5381175365085759
Energy: 0.47425658921297803
Energy: 0.47364362311933955
Energy: 0.4647664886765664
Energy: 0.48456801320364096
Energy: 0.47339030017645567
Energy: 0.5095582581727215
Energy: 0.49541085268397916
Energy: 0.47475481421609855
Energy: 0.4762932898851496
Energy: 0.4918610400445928
Energy: 0.472873163491152
Energy: 0.5043507232917899
Energy: 0.48236305637157123
Energy: 0.4752006357144509
Energy: 0.47572828641401316
Energy: 0.46424783282491294
Energy: 0.4751383484355481
Energy: 0.5649523167808762
Energy: 0.46391586012251534
Energy: 0.46379058254778754
Energy: 0.5652505614732314
Energy: 0.46898696561898795
Energy: 0.49996877312316146
Energy: 0.5786063776461516
Energy: 0.49633246618400395
Energy: 0.4819268025844187
Energy: 0.5006202306849551
Energy: 0.49192432836969674
Energy: 0.48278322273378815
Energy: 0.46628342481866536
Energy: 0.500239262366976
Energy: 0.4697847005737419
Energy: 0.46623365634883784
Energy: 0.49983586297841154
Energy: 0.46427886869710033

minimum gb energy = 0.46379058254778754 eV
minimum distance =  2.6659131728041 Angstroms
sigma value = 11


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

Energy: 0.5403402548430773
Energy: 0.6208596590073608
Energy: 0.602649947446837
Energy: 0.5708616563340828
Energy: 0.5685268854022348
Energy: 0.5624953507741164
Energy: 0.6513566485697634
Energy: 0.5474780735790721
Energy: 0.5529718523930607
Energy: 0.5700588324032779
Energy: 0.5475455660915709
Energy: 0.5688548977518358
Energy: 0.6147707916601695
Energy: 0.5388228854419813
Energy: 0.5502048108277267
Energy: 0.5619029048512427
Energy: 0.538815010722842
Energy: 0.5573536010553067
Energy: 0.571046727362764
Energy: 0.5386463063039331
Energy: 0.5393678858665085
Energy: 0.5519405080981472
Energy: 0.540672034581812
Energy: 0.5653520384995121
Energy: 0.5607821738956663
Energy: 0.5475170063831223
Energy: 0.5567265787216763
Energy: 0.5650009279020634
Energy: 0.5469146429662739
Energy: 0.567257193207621
Energy: 0.5652645105758044
Energy: 0.5552025813315455
Energy: 0.5583840223448435
Energy: 0.548632438515884
Energy: 0.5627061140817571
Energy: 0.5596434006396505
Energy: 0.5607487094354836
Energy: 0.5572122370283176
Energy: 0.5574396188062398
Energy: 0.5594181686807123
Energy: 0.5536296996922517
Energy: 0.561646320496028
Energy: 0.559424902992726
Energy: 0.5556180079042469
Energy: 0.5679280496108239
Energy: 0.5470580111193579
Energy: 0.5652997299952076
Energy: 0.5672929557740091
Energy: 0.5483241634973166
Energy: 0.5654667931532693
Energy: 0.5655659317396968
Energy: 0.538467645776373
Energy: 0.561146934235851
Energy: 0.5412940245266561
Energy: 0.5471600011527017
Energy: 0.565192757916522
Energy: 0.565882500529543
Energy: 0.5509681805983252
Energy: 0.5614735625137041
Energy: 0.5414359218318869
Energy: 0.5597164414334542
Energy: 0.5519942971910917
Energy: 0.5680922371373406
Energy: 0.5470861283811352
Energy: 0.5577130168125906
Energy: 0.5574703653982835
Energy: 0.5498848301677866
Energy: 0.5624155102783712
Energy: 0.5629824515207984
Energy: 0.5502450641533725
Energy: 0.5492960495182438
Energy: 0.5625279082088509
Energy: 0.5467073358140089
Energy: 0.5648584770357288
Energy: 0.5639810188864723
Energy: 0.5468763689154237
Energy: 0.5603113199101325
Energy: 0.5605539695603149
Energy: 0.5565552325798294
Energy: 0.562588801712394
Energy: 0.565211058157851
Energy: 0.5397714591570978
Energy: 0.5818036716966076
Energy: 0.5576369678780027
Energy: 0.5390139594683757
Energy: 0.5644398530939773
Energy: 0.5637289579900292
Energy: 0.5394966405183004
Energy: 0.5611652855547883
Energy: 0.5627439038510234
Energy: 0.5394228574367026
Energy: 0.5647243152600205
Energy: 0.5638890345209685
Energy: 0.5403904217158811
Energy: 0.5634586012448805
Energy: 0.5394359940046579
Energy: 0.5388500914537742
Energy: 0.557407564593694
Energy: 0.5647233722616147
Energy: 0.5390391619179575
Energy: 0.5579579033223823
Energy: 0.5579701623228511
Energy: 0.5857444487618709
Energy: 0.5862673473010684
Energy: 0.581019636858096
Energy: 0.5662200216743893
Energy: 0.5852680786725148
Energy: 0.5627854586815995
Energy: 0.5505197882358762
Energy: 0.5571280339957507
Energy: 0.5647459170470467
Energy: 0.5506812605011296
Energy: 0.5545452288443308
Energy: 0.563946656609288
Energy: 0.5719920884144285
Energy: 0.5399773074116335
Energy: 0.54011339522883
Energy: 0.5597851068028292
Energy: 0.5400606536138678
Energy: 0.565625097001308
Energy: 0.6013227338741169
Energy: 0.5396355470455764
Energy: 0.5593260551295871
Energy: 0.5590914298225091
Energy: 0.5486501207103797
Energy: 0.565476999325266
Energy: 0.5537501189465823
Energy: 0.5618853733124559
Energy: 0.5644933655145064
Energy: 0.5700725045945768
Energy: 0.5583722130907282
Energy: 0.5639134193371216
Energy: 0.5441536429302598
Energy: 0.5573358915397127
Energy: 0.5561518022220672
Energy: 0.5382990804556074
Energy: 0.5572462623425432
Energy: 0.5634769900034428
Energy: 0.6024723810911798
Energy: 0.5631997911364043
Energy: 0.5565129145746649
Energy: 0.5533884584760227
Energy: 0.5580199982159874
Energy: 0.5646542494828934
Energy: 0.6040089763142732
Energy: 0.5616935334017488
Energy: 0.5574627592869696
Energy: 0.5852737085530664
Energy: 0.560776820550966
Energy: 0.5595039911421829
Energy: 0.5913323166055058
Energy: 0.5547796216206399
Energy: 0.5396007427832072
Energy: 0.5546264195815297
Energy: 0.5398714476801793
Energy: 0.563717751372564
Energy: 0.6042391756416525
Energy: 0.5391077930595201
Energy: 0.5391648117670647
Energy: 0.5604775794842862
Energy: 0.5410015017465605
Energy: 0.5632642808062727
Energy: 0.5904960794328308
Energy: 0.5398622683219559
Energy: 0.5617794982790165
Energy: 0.5606022047326054
Energy: 0.5500790658918505
Energy: 0.5633735712221504
Energy: 0.5899533411996161
Energy: 0.5545985444745225
Energy: 0.5531299203043393
Energy: 0.573173564406598
Energy: 0.5655277803491622
Energy: 0.5580564117477623
Energy: 0.6517771327791053
Energy: 0.546976247169201
Energy: 0.5599382601706747
Energy: 0.5574122685527917
Energy: 0.5466954842576122
Energy: 0.5633300992665067
Energy: 0.5411493507673267
Energy: 0.5525662672958801
Energy: 0.562975398376514
Energy: 0.5401274821747051
Energy: 0.5511212197237536
Energy: 0.5666576343426825

minimum gb energy = 0.5382990804556074 eV
minimum distance =  2.65691150650467 Angstroms
sigma value = 57


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

Energy: 0.7813055623714864
Energy: 0.5574164387958421
Energy: 0.5249409731562891
Energy: 0.5652136692367988
Energy: 0.8435458671564035
Energy: 0.5251505723693962
Energy: 0.6028101551850052
Energy: 0.5397045647136944
Energy: 0.5374065163571047
Energy: 0.5390724988217194
Energy: 0.5410935754565595
Energy: 0.5369219029758048
Energy: 0.557212115652263
Energy: 0.5355265171102216
Energy: 0.5359345863522031
Energy: 0.5997650093433551
Energy: 0.5494431011616283
Energy: 0.5383659358809408
Energy: 0.5497511619942148
Energy: 0.538937071832659
Energy: 0.5370266472504954
Energy: 0.5495636612322776
Energy: 0.5481596195531472
Energy: 0.5371469013245339
Energy: 0.5489653208446296
Energy: 0.5391821390145702
Energy: 0.537964682464232
Energy: 0.5387963038285737
Energy: 0.5403048903814853
Energy: 0.5368043902290037
Energy: 0.5501689171793902
Energy: 0.5582147379228886
Energy: 0.537590556845704
Energy: 0.5394891970424578
Energy: 0.5388294126643103
Energy: 0.5376029749655964
Energy: 0.5524675179640554
Energy: 0.5674679707878897
Energy: 0.525141989976592
Energy: 0.5535318072456613
Energy: 0.5688417411253133
Energy: 0.5571301022213926
Energy: 0.603757766702474
Energy: 0.5395361353947298
Energy: 0.537432146073708
Energy: 0.5409466049849412
Energy: 0.5381840159268324
Energy: 0.5370548198854493
Energy: 0.5244993217135732
Energy: 0.5396421476092487
Energy: 0.5258002768297727
Energy: 0.527767156824922
Energy: 0.5496953079267413
Energy: 0.5254628427828709
Energy: 0.5528146016625233
Energy: 0.5393902230079918
Energy: 0.5258341552462562
Energy: 0.5273348062783679
Energy: 0.548893785580203
Energy: 0.525453677019129
Energy: 0.6034967986869615
Energy: 0.549118336282367
Energy: 0.5382745649015132
Energy: 0.538701379440011
Energy: 0.5377735803085137
Energy: 0.5372399547129533
Energy: 0.5505561448330003
Energy: 0.5351247130339282
Energy: 0.5491651474626161
Energy: 0.5500524085334934
Energy: 0.5394616923629831
Energy: 0.5384043754735951
Energy: 0.5531313148422501
Energy: 0.5380483402030166
Energy: 0.5381028894310331
Energy: 0.5400201882529366
Energy: 0.5391452536530392
Energy: 0.5366931229537358
Energy: 0.5499572589894809
Energy: 0.6005238533934422
Energy: 0.549588745801788
Energy: 0.5389285980189807
Energy: 0.5527349974162044
Energy: 0.5380799294920496
Energy: 0.5608416055237795
Energy: 0.5251488245873742
Energy: 0.5372223647371986
Energy: 0.5589051226061358
Energy: 0.5664978194751406
Energy: 0.5368717676260528
Energy: 0.5981069604931096
Energy: 0.5250799150667593
Energy: 0.5246861598666446
Energy: 0.5497592703716027
Energy: 0.5671193249751145
Energy: 0.5377712729353504
Energy: 0.5252818958544446
Energy: 0.5396212384622171
Energy: 0.5377834653487626
Energy: 0.5245795584319068
Energy: 0.5419171402322672
Energy: 0.5375722808686644

minimum gb energy = 0.5244993217135732 eV
minimum distance =  2.67148340091527 Angstroms
sigma value = 9


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

Energy: 0.9701067759354294
Energy: 0.6140491158524902
Energy: 0.6472551626708065
Energy: 0.6062980344267341
Energy: 0.6026216772603165
Energy: 0.6467673745865032
Energy: 0.6409487019446164
Energy: 0.5981569165288912
Energy: 0.5853270731424315
Energy: 0.5830340908354938
Energy: 0.5979814901810936
Energy: 0.5876150597543774
Energy: 0.6068103563315462
Energy: 0.5900987533534893
Energy: 0.5925229394519008
Energy: 0.6072597916558471
Energy: 0.5829320356460084
Energy: 0.5906017931679575
Energy: 0.591703723201166
Energy: 0.5934625841007416
Energy: 0.5883367840865256
Energy: 0.5929565126234204
Energy: 0.5833337146710139
Energy: 0.5927102371984938
Energy: 0.5830163122135339
Energy: 0.5724403943028227
Energy: 0.5733748060025364
Energy: 0.569636487464656
Energy: 0.5798530921389236
Energy: 0.5700161967821905
Energy: 0.5842470130556252
Energy: 0.5834631552667918
Energy: 0.5817165584455234
Energy: 0.5899153040753997
Energy: 0.5852530677912053
Energy: 0.5814957124535127
Energy: 0.5890214265710241
Energy: 0.5816332846068949
Energy: 0.5972347545666277
Energy: 0.5894684889475961
Energy: 0.5842670432171336
Energy: 0.6116203188893974
Energy: 0.5993927543128241
Energy: 0.5837973178129159
Energy: 0.5843161944191457
Energy: 0.5924098186891321
Energy: 0.5819338041247747
Energy: 0.5848082723572275
Energy: 0.6114952613073403
Energy: 0.573205760306415
Energy: 0.5751473102875931
Energy: 0.6025281548027761
Energy: 0.5809577382744846
Energy: 0.5905013694052406
Energy: 0.5988588386868237
Energy: 0.5733546532415928
Energy: 0.5752654513938302
Energy: 0.6023099080345162
Energy: 0.5805820143305461
Energy: 0.5697509909693202
Energy: 0.6000788821535568
Energy: 0.5797964419285506
Energy: 0.5876672694007027
Energy: 0.5826813632305035
Energy: 0.5817172738562918
Energy: 0.5773301093182559
Energy: 0.6052824769120293
Energy: 0.5884948299789663
Energy: 0.5889894174935123
Energy: 0.5959244946810311
Energy: 0.5841136444597452
Energy: 0.5870039390487036
Energy: 0.6157954421746791
Energy: 0.583953961665148
Energy: 0.5854254596864605
Energy: 0.5852697990532858
Energy: 0.5831786713823413
Energy: 0.5804839086004824
Energy: 0.5954463008750307
Energy: 0.5887517990444407
Energy: 0.5912054312114153
Energy: 0.5935627782274029
Energy: 0.5861001103370171
Energy: 0.5924640277781927
Energy: 0.5996735184073513
Energy: 0.5790766945294225
Energy: 0.5894014633277158
Energy: 0.5909269142412124
Energy: 0.5791168823253214
Energy: 0.5720968615252747
Energy: 0.5900278576282083
Energy: 0.5936260744479294
Energy: 0.5809170050626413
Energy: 0.5905652032173168
Energy: 0.5992596543392957
Energy: 0.5802979015445178
Energy: 0.6025103299504756
Energy: 0.5897279338651938
Energy: 0.5928041762002163
Energy: 0.6029118750271433
Energy: 0.5924022283007724
Energy: 0.5917440018957915
Energy: 0.6725937927582702
Energy: 0.5845928558233835
Energy: 0.5730991537769216
Energy: 0.5746215371402821
Energy: 0.593315961138201
Energy: 0.587666070607469
Energy: 0.5973730458752106
Energy: 0.5944039234384582
Energy: 0.589735280954967
Energy: 0.5965057505120889
Energy: 0.5829313885973895
Energy: 0.5872346670850055
Energy: 0.5910627196009535
Energy: 0.5944642164972013
Energy: 0.5908806194551308
Energy: 0.5698681092737724
Energy: 0.5952795477659979
Energy: 0.5870890559938734
Energy: 0.5931130752461244
Energy: 0.5979930971140635
Energy: 0.5850302039383498
Energy: 0.5813523102478242
Energy: 0.5968150252580655
Energy: 0.5892675112235576

minimum gb energy = 0.569636487464656 eV
minimum distance =  2.62904876447818 Angstroms
sigma value = 27


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

Energy: 0.863174173932146
Energy: 0.7803477916830773
Energy: 0.5674121724230301
Energy: 0.5730238610504558
Energy: 0.7786788155087233
Energy: 0.6000504692977365
Energy: 0.6940959123464833
Energy: 0.6121553483571398
Energy: 0.6101646552230304
Energy: 0.5577008381406708
Energy: 0.5794633284856027
Energy: 0.5760285734591756
Energy: 0.6616456539100576
Energy: 0.5664820320953061
Energy: 0.5892857338733436
Energy: 0.564561779918057
Energy: 0.5974254786904201
Energy: 0.5888764819609157
Energy: 0.6729495184937014
Energy: 0.5769811802389151
Energy: 0.5670821133617872
Energy: 0.574785154001842
Energy: 0.5972689343915886
Energy: 0.5767471566980147
Energy: 0.6043342297806922
Energy: 0.6094724775210356
Energy: 0.6221422981833881
Energy: 0.5916172855487162
Energy: 0.5955530499984968
Energy: 0.5784576252451539
Energy: 0.6545454335000727
Energy: 0.6256927893872959
Energy: 0.6204568258084243
Energy: 0.6199157949660496
Energy: 0.6202755690119358
Energy: 0.619899480402573
Energy: 0.6460717062114593
Energy: 0.593140093400211
Energy: 0.5974673117019267
Energy: 0.5628116584893302
Energy: 0.5929249779817076
Energy: 0.5949466322588853
Energy: 0.6379497431730167
Energy: 0.5907687627441103
Energy: 0.6352863245991149
Energy: 0.6296825227945507
Energy: 0.5910280258184144
Energy: 0.6325409925502575
Energy: 0.686388561884178
Energy: 0.6227636051862341
Energy: 0.6265314787778314
Energy: 0.6187569584841107
Energy: 0.622378800439725
Energy: 0.6257135936360277
Energy: 0.6858901243234771
Energy: 0.6004219176197507
Energy: 0.599972249696294
Energy: 0.619575427356567
Energy: 0.6008826111185378
Energy: 0.5980964053865494
Energy: 0.6360813884017319
Energy: 0.6366172178629804
Energy: 0.5661111536157627
Energy: 0.6292431932397754
Energy: 0.5842771667681825
Energy: 0.6357844926114988
Energy: 0.6182292488612775
Energy: 0.6020224806890172
Energy: 0.5997233850449132
Energy: 0.6013424227047744
Energy: 0.5960182465107148
Energy: 0.5988690850537166
Energy: 0.6947494992985218
Energy: 0.5985554125798832
Energy: 0.5991662785075363
Energy: 0.597510648132941
Energy: 0.5975422059821002
Energy: 0.6123135760011895
Energy: 0.6487901196704174
Energy: 0.6033781120203386
Energy: 0.5998300227535396
Energy: 0.5974608758657312
Energy: 0.5934835063604847
Energy: 0.5965788625253059
Energy: 0.6152037638734511
Energy: 0.5984320425748945
Energy: 0.5970013596600046
Energy: 0.6004793613175923
Energy: 0.5987967962527533
Energy: 0.5988290046229257
Energy: 0.6325628196759181
Energy: 0.6034129669755655
Energy: 0.6183358270234808
Energy: 0.629625525924129
Energy: 0.598582348239451
Energy: 0.6195209061611198
Energy: 0.6038949471562407
Energy: 0.5990771572693515
Energy: 0.5988701608861164
Energy: 0.6120969519485586
Energy: 0.6089594929441743
Energy: 0.5986765961321933
Energy: 0.6300772622910328
Energy: 0.6251652000645022
Energy: 0.6192334794149018
Energy: 0.620154321184186
Energy: 0.6219586605943355
Energy: 0.6199583968253195
Energy: 0.6293591899656817
Energy: 0.6006422482098138
Energy: 0.6002357829332213
Energy: 0.6273236663205506
Energy: 0.5865982268353104
Energy: 0.598708736418937
Energy: 0.6470531957696503
Energy: 0.6012184760229209
Energy: 0.6000354319291308
Energy: 0.5664903762027661
Energy: 0.5865121605464472
Energy: 0.598617250402959
Energy: 0.5949968291223179
Energy: 0.6216974722716251
Energy: 0.6225823038369077
Energy: 0.6193573763432042
Energy: 0.616272068019752
Energy: 0.6188069759314089
Energy: 0.6006290866991172
Energy: 0.5949392167627564
Energy: 0.591557409932996
Energy: 0.6009412019515991
Energy: 0.599367960423747
Energy: 0.5672420721722083
Energy: 0.6381514460113412
Energy: 0.5807148779062262
Energy: 0.5776642627807604
Energy: 0.5614074305361467
Energy: 0.5621719408737919
Energy: 0.6324266565360832
Energy: 0.6380518573634488
Energy: 0.5668612540839468
Energy: 0.577452929514351
Energy: 0.5615319298064763
Energy: 0.5774631164084847
Energy: 0.5774888263172452
Energy: 0.6501944444554788
Energy: 0.6102292314723308
Energy: 0.5776487961026293
Energy: 0.5711032118620181
Energy: 0.5780454367404028
Energy: 0.5843039086785214

minimum gb energy = 0.5577008381406708 eV
minimum distance =  2.57455598987125 Angstroms
sigma value = 19


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

Energy: 0.5984894557706455
Energy: 0.5493834017267083
Energy: 0.5520988657051973
Energy: 0.567121062202967
Energy: 0.5538112067841325
Energy: 0.5520988222964363
Energy: 0.6003753516868612
Energy: 0.5639023721923632
Energy: 0.559965200985918
Energy: 0.5800624029804888
Energy: 0.5665809481138552
Energy: 0.5602184546852526
Energy: 0.577801706289075
Energy: 0.5594109805631265
Energy: 0.5611680526820204
Energy: 0.5700421698903155
Energy: 0.5594630064091907
Energy: 0.5603715422109683
Energy: 0.576493932465084
Energy: 0.5663793250617605
Energy: 0.5666007408023143
Energy: 0.5626116497434583
Energy: 0.5668151240947511
Energy: 0.5668315999808897
Energy: 0.5819549156376708
Energy: 0.5628895012406914
Energy: 0.5615445476268468
Energy: 0.5643932394253719
Energy: 0.5756635258617167
Energy: 0.5609590264753052
Energy: 0.584405077777503
Energy: 0.5794434668538838
Energy: 0.5798611214601991
Energy: 0.5769367194267265
Energy: 0.567375325174835
Energy: 0.5795653325787119
Energy: 0.578263886389106
Energy: 0.5628558258245027
Energy: 0.5616082419301547
Energy: 0.574890699129138
Energy: 0.5656045822055099
Energy: 0.5600843908226647
Energy: 0.5763924166739937
Energy: 0.5650545375279391
Energy: 0.5588407370567554
Energy: 0.5624007437221463
Energy: 0.5661720731643866
Energy: 0.5640456587126003
Energy: 0.5757039381178795
Energy: 0.5593490618480726
Energy: 0.5637000784309747
Energy: 0.5708034684091564
Energy: 0.5616030349381881
Energy: 0.5641480300097355
Energy: 0.5813850107755997
Energy: 0.5659200010728282
Energy: 0.5652244967680096
Energy: 0.5722100622647839
Energy: 0.5671682543199205
Energy: 0.5656369523664253
Energy: 0.5778900847665118
Energy: 0.5538565828541102
Energy: 0.5530623499485199
Energy: 0.5751628249882961
Energy: 0.5556870490495812
Energy: 0.5537596009598679
Energy: 0.5727221532526842
Energy: 0.5647101132601442
Energy: 0.5522568592312684
Energy: 0.5526931969194836
Energy: 0.5586762876473768
Energy: 0.5526524658512607
Energy: 0.5901341501243932
Energy: 0.5588415840284515
Energy: 0.5613405219790907
Energy: 0.5595173885008919
Energy: 0.559635292674415
Energy: 0.562552067469385
Energy: 0.6017224937582034
Energy: 0.5710464166642282
Energy: 0.5701796907567805
Energy: 0.5514021432761421
Energy: 0.5719519456383472
Energy: 0.5646833699656741
Energy: 0.5725695607094501
Energy: 0.5530002618019791
Energy: 0.5574047718719296
Energy: 0.5579053326543872
Energy: 0.5527312637224502
Energy: 0.557003130423042
Energy: 0.5823646991407796
Energy: 0.5521935239725714
Energy: 0.5523827573679047
Energy: 0.5585201663606681
Energy: 0.5571025518872943
Energy: 0.5524842453184412
Energy: 0.5756593695471188
Energy: 0.5631910785652932
Energy: 0.565465721874482
Energy: 0.55287159915815
Energy: 0.5659915736913775
Energy: 0.5664954973003362
Energy: 0.5884894930186904
Energy: 0.5518319593718422
Energy: 0.5518610606353604
Energy: 0.5542373563101606
Energy: 0.5499148912982408
Energy: 0.551966607550787
Energy: 0.583445129582104
Energy: 0.5668488615727441
Energy: 0.5668746302927583
Energy: 0.5718840458681322
Energy: 0.5585970459939914
Energy: 0.5568900804769016
Energy: 0.5690349599152693
Energy: 0.554014807140681
Energy: 0.55384362420149
Energy: 0.5540098011498035
Energy: 0.5542076716609278
Energy: 0.5585992824015903
Energy: 0.5618368536904285
Energy: 0.5519284892464136
Energy: 0.5529074574254684
Energy: 0.5600518623722952
Energy: 0.549444621367765
Energy: 0.5544829942242434
Energy: 0.5593816965555791
Energy: 0.5521219496991905
Energy: 0.5519293596754783
Energy: 0.5613512891037648
Energy: 0.5507643603186813
Energy: 0.552344829294563
Energy: 0.5749295867471576
Energy: 0.5730017278604456
Energy: 0.574571668461247
Energy: 0.5718494355882073
Energy: 0.5710779022898359
Energy: 0.5584691438973515
Energy: 0.5884500221621691
Energy: 0.5500519754712104
Energy: 0.5560042133574301
Energy: 0.5789984567161245
Energy: 0.5492300557325476
Energy: 0.5582043400087883
Energy: 0.5861898671702316
Energy: 0.5503910295122004
Energy: 0.5539227638136462
Energy: 0.5618432141727436
Energy: 0.5465484367966597
Energy: 0.5543534488131975
Energy: 0.5813201705657148
Energy: 0.5597747044809123
Energy: 0.5598511869603685
Energy: 0.5595873900325102
Energy: 0.562623861098941
Energy: 0.5590002724783962
Energy: 0.5775450366108145
Energy: 0.5596875107703876
Energy: 0.563600254906517
Energy: 0.5685682134001827
Energy: 0.5593319022155205
Energy: 0.5632555268669925
Energy: 0.5778977480034996
Energy: 0.5598725676419025
Energy: 0.5596011706051449
Energy: 0.5594378329632146
Energy: 0.5604775273704122
Energy: 0.5594882319907541
Energy: 0.5866181983691247
Energy: 0.5812968356530515
Energy: 0.5900027655190724
Energy: 0.5516626000682743
Energy: 0.5848896130915743
Energy: 0.560926933328188

minimum gb energy = 0.5465484367966597 eV
minimum distance =  2.63580519618399 Angstroms
sigma value = 101


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

Energy: 0.8449426615626641
Energy: 0.5460690378808468
Energy: 0.5485033798593424
Energy: 0.5350782212216044
Energy: 0.5461133867284187
Energy: 0.5305366782053323
Energy: 0.6021912980561089
Energy: 0.5431631060624776
Energy: 0.5446030212375849
Energy: 0.5517540594290196
Energy: 0.5444091059758344
Energy: 0.5440575263891941
Energy: 0.5706075123096888
Energy: 0.5390190460623684
Energy: 0.5419338403565787
Energy: 0.5419092212306958
Energy: 0.5403757989346466
Energy: 0.5425556486510991
Energy: 0.5624153923189489
Energy: 0.5436823041186026
Energy: 0.5437104988408338
Energy: 0.547586721127868
Energy: 0.5431762171496116
Energy: 0.5436636998672254
Energy: 0.5532515442836214
Energy: 0.5417303683170385
Energy: 0.5437523042345397
Energy: 0.5482443230565797
Energy: 0.560401091719337
Energy: 0.5468825914577671
Energy: 0.5510918606756029
Energy: 0.5455759404098828
Energy: 0.5429796349918549
Energy: 0.5565324117256715
Energy: 0.5515033771472986
Energy: 0.5458466764232204
Energy: 0.5613707638087133
Energy: 0.537445555105048
Energy: 0.5391752773957477
Energy: 0.5572037799920602
Energy: 0.5383305421882276
Energy: 0.5421599780399782
Energy: 0.5619079010775071
Energy: 0.5414698264658436
Energy: 0.5417442808498141
Energy: 0.5549466695640455
Energy: 0.5478926008924895
Energy: 0.5565370997968725
Energy: 0.5430490667032911
Energy: 0.5438949299050774
Energy: 0.5408144294208396
Energy: 0.5408862703861783
Energy: 0.5395576069287098
Energy: 0.5390576278956208
Energy: 0.551026945930626
Energy: 0.5518833648350775
Energy: 0.5504916839723987
Energy: 0.5443047700787843
Energy: 0.5422114804274043
Energy: 0.5504964872100424
Energy: 0.568585664594015
Energy: 0.5312297413715262
Energy: 0.538720689989015
Energy: 0.5587188518504485
Energy: 0.5315289931997044
Energy: 0.535691993032375
Energy: 0.5685814987490673
Energy: 0.5396438985008658
Energy: 0.5467692107007582
Energy: 0.5412071085363612
Energy: 0.5412347937499752
Energy: 0.547244038967063
Energy: 0.5531722305354999
Energy: 0.5391073795158196
Energy: 0.5441727310981209
Energy: 0.5396533204726456
Energy: 0.539327183605242
Energy: 0.5419209177671276
Energy: 0.5580165386323637
Energy: 0.5464802110703171
Energy: 0.5451116320463599
Energy: 0.5410073400044475
Energy: 0.543458924614619
Energy: 0.5431589552640377
Energy: 0.5681712083760282
Energy: 0.5402026128333182
Energy: 0.5399593946520234
Energy: 0.5425978393318297
Energy: 0.5404799697718359
Energy: 0.5409417105793778
Energy: 0.5678153397029441
Energy: 0.5432902232229261
Energy: 0.5446952370271115
Energy: 0.5448436451153081
Energy: 0.544732110991215
Energy: 0.5445566095983166
Energy: 0.5492005018655695
Energy: 0.5657553691216861
Energy: 0.5473592582793818
Energy: 0.5299279741727365
Energy: 0.5518966141926158
Energy: 0.5313359502709182
Energy: 0.593927280935945
Energy: 0.5457099181884935
Energy: 0.5441527924081491
Energy: 0.5481946251066828
Energy: 0.5476643160015546
Energy: 0.5464064647621569
Energy: 0.567989970528408
Energy: 0.5415399150098136
Energy: 0.5414803277040501
Energy: 0.539431486301409
Energy: 0.5434520880654674
Energy: 0.5425976099774409
Energy: 0.5613730437389443
Energy: 0.5427654174874178
Energy: 0.5425571619152094
Energy: 0.5490657984885498
Energy: 0.5424873753993187
Energy: 0.5430703334384499
Energy: 0.5548086618125347
Energy: 0.5397746944770462
Energy: 0.5424755570684884
Energy: 0.5486654748504296
Energy: 0.5460790892753717
Energy: 0.5443644083573748
Energy: 0.5521458128152509
Energy: 0.5445056244963571
Energy: 0.5437199256290213
Energy: 0.5446002916194793
Energy: 0.5422739183908667
Energy: 0.5427917243904333
Energy: 0.5569943832555772
Energy: 0.5403776918048944
Energy: 0.5411002510873711
Energy: 0.5521721556559379
Energy: 0.5403444966037618
Energy: 0.5430025864934581
Energy: 0.5681042468986441
Energy: 0.5409115736501943
Energy: 0.5414720860397965
Energy: 0.5513910250671588
Energy: 0.5425926624513688
Energy: 0.547139787929844
Energy: 0.5492355035695652
Energy: 0.5451306844258689
Energy: 0.5438675132149698
Energy: 0.5416063447257269
Energy: 0.5398472030009331
Energy: 0.5427718577613629
Energy: 0.5436709126607089
Energy: 0.5476956888519974
Energy: 0.5455657810943073
Energy: 0.5406801430859254
Energy: 0.5415801355957935
Energy: 0.5445482035154096
Energy: 0.5659640481803783
Energy: 0.5317498210021621
Energy: 0.5319951416569854
Energy: 0.549423931769781
Energy: 0.5323806485533347
Energy: 0.5329654268711171
Energy: 0.5682971276095372
Energy: 0.530699296304752
Energy: 0.5371742393148448
Energy: 0.5435856835757413
Energy: 0.5314584516927953
Energy: 0.5443700937349667
Energy: 0.556947057867982
Energy: 0.5435972959137397
Energy: 0.5438991927934445
Energy: 0.5385755891504193
Energy: 0.5433343087470496
Energy: 0.5427167556574166
Energy: 0.5547459274534242
Energy: 0.5459702501980119
Energy: 0.544451140533761
Energy: 0.5392537842452217
Energy: 0.5483040819039908
Energy: 0.543505923328411
Energy: 0.5683525287345695
Energy: 0.5431517975632302
Energy: 0.5426651473895127
Energy: 0.5427372150884496
Energy: 0.5400303512599304
Energy: 0.5432076073481584
Energy: 0.5685344993718207
Energy: 0.5458038723082542
Energy: 0.5446870113022637
Energy: 0.5393987678976782
Energy: 0.5413964251559921
Energy: 0.5447898015067255
Energy: 0.5518289313268797
Energy: 0.5459140514275738
Energy: 0.5324200483568431
Energy: 0.528492301455548
Energy: 0.5399126158993812
Energy: 0.5313842570550977

minimum gb energy = 0.528492301455548 eV
minimum distance =  2.62410274718119 Angstroms
sigma value = 33


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

Energy: 0.01346367760563976
Energy: 0.5531100424164893
Energy: 0.013955070046312445
Energy: 0.014827452662843096
Energy: 0.554785694608794
Energy: 0.013955993439516048
Energy: 0.25973210183383544
Energy: 0.07083051647102091
Energy: 0.06962236681292622
Energy: 0.07186170941823407
Energy: 0.07081144996533732
Energy: 0.06951720222001599
Energy: 0.7481723373347425
Energy: 0.553600765916118
Energy: 0.5528044288071361
Energy: 0.5537171736618659
Energy: 0.5553384303445545
Energy: 0.552587344891195
Energy: 0.014037109035536732
Energy: 0.0708305164723749
Energy: 0.0696223668101989
Energy: 0.07186170941823407
Energy: 0.07081144996295818
Energy: 0.06951720222069299

minimum gb energy = 0.01346367760563976 eV
minimum distance =  2.84949539607633 Angstroms
sigma value = 1