Model name: model_name=EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_001
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=4.0687795132398605
cohesive_energy=3.92492861332292
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=[1.12213247092092e-19, 1.8597745932145197e-19, 2.3821803064965597e-19, 2.85562350184356e-19, 3.3062517019224e-19, 3.6983844330938997e-19, 4.0327907401423796e-19, 4.3302668757771594e-19, 4.59791048248686e-19, 4.840271741912039e-19, 5.064816797167139e-19, 5.2677164460969e-19, 5.444052006434939e-19, 5.60439784396566e-19, 5.74659102023316e-19, 5.86707470310996e-19, 5.96735493863202e-19, 6.051084689524859e-19, 6.12108378666432e-19, 6.179835603833099e-19, 6.227308097498519e-19, 6.26104993741056e-19, 6.28123736299896e-19, 6.28793446132908e-19, 6.2809169276721595e-19, 6.2585024765625e-19, 6.2178872988906e-19, 6.153656037633539e-19, 6.05784587492034e-19, 5.922606145244399e-19, 5.73946133421186e-19, 5.502611562407639e-19, 5.20407799019442e-19, 4.832260858742039e-19, 4.36557884879052e-19, 3.7654034816941197e-19, 2.98807544417634e-19, 1.99105694660448e-19, 7.351090810352459e-20, -8.49637473363468e-20, -2.8274091713188196e-19, -5.28062998976694e-19, -8.4528435944889e-19, -1.270868936561676e-18, -1.85649013111482e-18, -2.6715494283632994e-18, -3.803567329115999e-18, -5.375238520004639e-18, -7.65379004181408e-18, -1.1115228572505719e-17, -1.65498437585664e-17, -2.4993154402083e-17, -3.914918605179e-17, -6.43240272841686e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.68098410881603e-21 eV

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

Energy: 0.011949964326555875
Energy: 0.25680986271638423
Energy: 0.012592714404573947
Energy: 0.013749517309875395
Energy: 0.2568594845217869
Energy: 0.012339742516513355
Energy: 0.2568098627192724
Energy: 0.06990143788531299
Energy: 0.06996190892326651
Energy: 0.06977838030065646
Energy: 0.06962315283091258
Energy: 0.06980157711966031
Energy: 0.012592714406031786
Energy: 0.06996190892714492
Energy: 0.07108803193566803
Energy: 0.012504066976185783
Energy: 0.06980543989072979
Energy: 0.07075080571607127
Energy: 0.013749517309875395
Energy: 0.06977838029798836
Energy: 0.012504066974755451
Energy: 0.012213064407879054
Energy: 0.06982317616592433
Energy: 0.012354567944166846
Energy: 0.25685948452153934
Energy: 0.06962315283016991
Energy: 0.06980543989532335
Energy: 0.06982317616083565
Energy: 0.06980588572155505
Energy: 0.06973651077223093
Energy: 0.012339742515550632
Energy: 0.06980157711748732
Energy: 0.07075080572044477
Energy: 0.012354567942956566
Energy: 0.06973651076981038
Energy: 0.012642493849637514

minimum gb energy = 0.011949964326555875 eV
minimum distance =  2.86819038037027 Angstroms
sigma value = 1


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

Energy: 0.7498757535121783
Energy: 0.5234678962260453
Energy: 0.544139408299354
Energy: 0.5224629166908986
Energy: 0.5137408678256324
Energy: 0.5393542572524389
Energy: 0.7084811513413268
Energy: 0.5248515211457484
Energy: 0.5076732949451914
Energy: 0.5175726812873152
Energy: 0.5280088350698381
Energy: 0.5076957042433466
Energy: 0.7145910076630331
Energy: 0.5163589265122392
Energy: 0.5047129488838656
Energy: 0.5235410804005257
Energy: 0.5201986610581831
Energy: 0.5019297856794562
Energy: 0.7750204021149889
Energy: 0.5078602186018526
Energy: 0.5138807922876782
Energy: 0.5161705810779715
Energy: 0.5134253763541259
Energy: 0.5136139063805509
Energy: 0.7066893629797015
Energy: 0.5170967762970458
Energy: 0.5275357148726357
Energy: 0.5134832778602357
Energy: 0.5090273271147359
Energy: 0.5218491480172948
Energy: 0.7049820254965653
Energy: 0.5192090084073465
Energy: 0.5128455733237922
Energy: 0.521927518367062
Energy: 0.5195007285985834
Energy: 0.5237979494325357
Energy: 0.7071289922384171
Energy: 0.4980000984188436
Energy: 0.5257942354850891
Energy: 0.5225727441491833
Energy: 0.4872653048574728
Energy: 0.526400669741371
Energy: 0.5835716355653168
Energy: 0.5302695227981966
Energy: 0.5297359851791434
Energy: 0.48786052774562594
Energy: 0.5248223110210941
Energy: 0.5028064759377714
Energy: 0.5844790506029203
Energy: 0.5261247709507042
Energy: 0.5230915150081487
Energy: 0.5272164268844017
Energy: 0.5225133228983638
Energy: 0.5215745523558025
Energy: 0.589789903646484
Energy: 0.5173396004529786
Energy: 0.5239190760009378
Energy: 0.5236774326781307
Energy: 0.5139821451645996
Energy: 0.517275525847358
Energy: 0.5877109834681069
Energy: 0.5154801033031342
Energy: 0.5137435639583735
Energy: 0.5253274653652437
Energy: 0.5171983541987447
Energy: 0.5095122000575241
Energy: 0.5290143379917125
Energy: 0.5054721241169181
Energy: 0.5049205121524741
Energy: 0.5163881901050041
Energy: 0.5168385170090046
Energy: 0.5067742736511759
Energy: 0.5350840919528131
Energy: 0.5271714756727222
Energy: 0.5254194897100298
Energy: 0.5306676775939566
Energy: 0.5260359200239634
Energy: 0.5086474914580411
Energy: 0.5735676304139938
Energy: 0.5063813309712892
Energy: 0.5002606198433999
Energy: 0.5113477293992136
Energy: 0.5035238238595215
Energy: 0.5034223571621552
Energy: 0.5432034456258432
Energy: 0.523294768812453
Energy: 0.5187132959016775
Energy: 0.5202743451468457
Energy: 0.5146430800358837
Energy: 0.5255318382953695
Energy: 0.5456566330892267
Energy: 0.5024600937475402
Energy: 0.5023603041635882
Energy: 0.5203459509869564
Energy: 0.5049947638660864
Energy: 0.5197552952603072
Energy: 0.6739446942345237
Energy: 0.5223793809433308
Energy: 0.523564335381602
Energy: 0.5053212028514054
Energy: 0.5219547119001788
Energy: 0.5023775420935054
Energy: 0.6458149547250123
Energy: 0.4905741766396576
Energy: 0.5179702271835146
Energy: 0.523109334293796
Energy: 0.49041395726252296
Energy: 0.5285627339332528
Energy: 0.6464368552957481
Energy: 0.5229239489496222
Energy: 0.5285742261551737
Energy: 0.522635594458686
Energy: 0.5227751381164084
Energy: 0.5274388711274881
Energy: 0.6495376399324951
Energy: 0.5316020006859913
Energy: 0.5306097327619118
Energy: 0.48832996883484303
Energy: 0.5224730732874471
Energy: 0.5287002292573247
Energy: 0.7280130781608064
Energy: 0.5022664192969061
Energy: 0.5035698074562013
Energy: 0.518954767194239
Energy: 0.5071276253636541
Energy: 0.5106495880305917
Energy: 0.7318541468274735
Energy: 0.5205114526897962
Energy: 0.5055873602139233
Energy: 0.5161659903141413
Energy: 0.5184185731772651
Energy: 0.5045132462424673
Energy: 0.7308397567816999
Energy: 0.5199857363484639
Energy: 0.5007388771141595
Energy: 0.5285864858877587
Energy: 0.519036471208415
Energy: 0.5341227337155734

minimum gb energy = 0.4872653048574728 eV
minimum distance =  2.64100323652828 Angstroms
sigma value = 33


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

Energy: 0.9049013564095587
Energy: 0.5130441777425204
Energy: 0.5371613401072778
Energy: 0.529810063377626
Energy: 0.5130638972606321
Energy: 0.5453464766893105
Energy: 0.7392003644863379
Energy: 0.5121381184365396
Energy: 0.5098542150037079
Energy: 0.5316316919114519
Energy: 0.5177539193460754
Energy: 0.5094048621793804
Energy: 0.7276361510761172
Energy: 0.5189049359876785
Energy: 0.5144630380159607
Energy: 0.5549565098597132
Energy: 0.5161500958794917
Energy: 0.5169437972590075
Energy: 0.728495078768814
Energy: 0.5571374879645477
Energy: 0.5182694983710617
Energy: 0.5393298934540315
Energy: 0.5170717713795612
Energy: 0.5527128744829951
Energy: 0.6951748992410985
Energy: 0.522671846703634
Energy: 0.5282282524028981
Energy: 0.5174236532056156
Energy: 0.5428553030796734
Energy: 0.5290382781940554
Energy: 0.7355034286840314
Energy: 0.5658336838131851
Energy: 0.5662669621872948
Energy: 0.527828196856049
Energy: 0.5651824215739828
Energy: 0.5667455426530571
Energy: 0.7356238216710332
Energy: 0.5665296389205327
Energy: 0.5667660586870426
Energy: 0.5650395714548041
Energy: 0.5518474874342091
Energy: 0.5656727690842126
Energy: 0.6955606527075462
Energy: 0.5549413032412833
Energy: 0.5570675972050474
Energy: 0.5301289056959669
Energy: 0.5514808968793881
Energy: 0.5567638203733607
Energy: 0.6124462931367652
Energy: 0.5512265329737782
Energy: 0.5725012026088816
Energy: 0.5678686934107622
Energy: 0.5509123493523047
Energy: 0.5681555018763453
Energy: 0.6127927887068348
Energy: 0.5733131759848599
Energy: 0.5689540306381806
Energy: 0.5758715454383717
Energy: 0.5730237376883169
Energy: 0.5685196977349216
Energy: 0.6273817455015517
Energy: 0.48779296449881776
Energy: 0.49212069129278174
Energy: 0.5433787142922745
Energy: 0.48837477535762563
Energy: 0.49610829621212377
Energy: 0.563610749921478
Energy: 0.5199262148125143
Energy: 0.5577767176582847
Energy: 0.5542546861885983
Energy: 0.5201788353603772
Energy: 0.5464541482050032
Energy: 0.5632972058104195
Energy: 0.5742399655558353
Energy: 0.555292505022038
Energy: 0.5582573771321152
Energy: 0.5791803299224582
Energy: 0.5485493546065713
Energy: 0.5717447111669661
Energy: 0.5535007948919021
Energy: 0.5537280253899474
Energy: 0.5614015063521173
Energy: 0.5395808768386734
Energy: 0.5552852344569421
Energy: 0.6034945595725607
Energy: 0.5769738164855416
Energy: 0.5650099164459619
Energy: 0.5744368316250891
Energy: 0.5767268546592971
Energy: 0.5650670373697032
Energy: 0.6048908220959831
Energy: 0.5628681467589091
Energy: 0.5624101409909241
Energy: 0.564555952174515
Energy: 0.5633538156133936
Energy: 0.5652677137497191
Energy: 0.7206279976660086
Energy: 0.5648375184796656
Energy: 0.5655148466281845
Energy: 0.5670143599614774
Energy: 0.5647505855291443
Energy: 0.5676625190710657
Energy: 0.647978246349848
Energy: 0.5809404919120561
Energy: 0.5751793029374925
Energy: 0.5505864664024537
Energy: 0.5782125781072923
Energy: 0.5569637148264251
Energy: 0.6500021679800425
Energy: 0.5702823503202924
Energy: 0.5693905174497779
Energy: 0.5504657402268047
Energy: 0.5704577394415038
Energy: 0.5664652390744531
Energy: 0.7131569834777823
Energy: 0.5754100431786364
Energy: 0.567793019933478
Energy: 0.56409696129193
Energy: 0.5747270123372238
Energy: 0.5679635919141534
Energy: 0.7850611419018817
Energy: 0.5647511121189849
Energy: 0.49145391515752235
Energy: 0.4965587426392264
Energy: 0.5705410836214624
Energy: 0.49692363169889875
Energy: 0.7734954476681775
Energy: 0.5524458379981717
Energy: 0.5500843313384609
Energy: 0.5197158640559703
Energy: 0.5532258849229366
Energy: 0.5541219414394322
Energy: 0.7125466262472977
Energy: 0.5583346253170064
Energy: 0.5477438636672549
Energy: 0.5662959296454897
Energy: 0.5614751182692982
Energy: 0.5498109920883216
Energy: 0.7308852191231275
Energy: 0.554443372180877
Energy: 0.5538638540950338
Energy: 0.5318008633755371
Energy: 0.5549943032666717
Energy: 0.5554344851960068
Energy: 0.69535110919554
Energy: 0.5575633387141181
Energy: 0.5580660166057857
Energy: 0.5593261734377467
Energy: 0.5681437131134071
Energy: 0.5646546751794829
Energy: 0.7372407020454648
Energy: 0.5623687624996278
Energy: 0.5639364850726971
Energy: 0.5659438740863345
Energy: 0.5630699483879362
Energy: 0.5636854095291679
Energy: 0.738744031754315
Energy: 0.5635787708583261
Energy: 0.5594097065488455
Energy: 0.5625286289641628
Energy: 0.5494549184573545
Energy: 0.5603837436147753
Energy: 0.6959866021469733
Energy: 0.55471440641399
Energy: 0.5512761662451457
Energy: 0.5822230227388224
Energy: 0.5503129084563052
Energy: 0.5738451373986055
Energy: 0.6157823261298323
Energy: 0.5545783081255452
Energy: 0.5563045475978154
Energy: 0.5720268665968845
Energy: 0.5505048889754184
Energy: 0.5707765742054427
Energy: 0.6147236762989591
Energy: 0.5771973971813539
Energy: 0.5664620288050846
Energy: 0.5741333541634456
Energy: 0.5745688427686764
Energy: 0.568033789801097
Energy: 0.6277626515025628
Energy: 0.49699241131515776
Energy: 0.49513518061261347
Energy: 0.5693418765120717
Energy: 0.4970476306767792
Energy: 0.4957882055527604
Energy: 0.561794635079521
Energy: 0.49635241675347774
Energy: 0.495752386080547
Energy: 0.5533622864962223
Energy: 0.49640836205303707
Energy: 0.5552690630879232
Energy: 0.5649406168487586
Energy: 0.5755167415595355
Energy: 0.5501506298205069
Energy: 0.5653238012577629
Energy: 0.5731617751455175
Energy: 0.548638117903349
Energy: 0.5632231568565901
Energy: 0.5398732084994373
Energy: 0.5509819292821755
Energy: 0.5475314954591557
Energy: 0.5354069730024001
Energy: 0.5568175021318468
Energy: 0.6043578111303897
Energy: 0.5745007960976674
Energy: 0.5687251314414521
Energy: 0.5413968836211299
Energy: 0.5717272064896131
Energy: 0.5618356103537894
Energy: 0.6031669143669555
Energy: 0.5628571586779556
Energy: 0.5631459891922826
Energy: 0.5629894252589815
Energy: 0.5662798053570843
Energy: 0.5648811743602059
Energy: 0.6045529565977893
Energy: 0.5297564714540269
Energy: 0.49641153831362217
Energy: 0.5077635277697687
Energy: 0.5349201988913688
Energy: 0.5804638519123504
Energy: 0.6512512580254308
Energy: 0.5275388285902595
Energy: 0.5318303073174946
Energy: 0.5503584067510042
Energy: 0.5273687869854847
Energy: 0.5344952158779109
Energy: 0.6473704850910766
Energy: 0.5298053981729917
Energy: 0.5327580273241762
Energy: 0.5507604581383216
Energy: 0.5301010379453072
Energy: 0.5568590317488401
Energy: 0.6952495558646753
Energy: 0.5369054868291598
Energy: 0.5304622005742822
Energy: 0.5405140243796259
Energy: 0.5356261078684349
Energy: 0.5304574252967144
Energy: 0.8137754947446092
Energy: 0.5240528727921145
Energy: 0.4957709032756843
Energy: 0.4962735729759465
Energy: 0.520784445677175
Energy: 0.5202549941807073

minimum gb energy = 0.48779296449881776 eV
minimum distance =  2.61074463346889 Angstroms
sigma value = 51


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

Energy: 0.8231860190013478
Energy: 0.5285361670463975
Energy: 0.5226286008768273
Energy: 0.545959253114231
Energy: 0.5241459478215652
Energy: 0.5443146698219206
Energy: 0.6271297300851247
Energy: 0.5283718675344224
Energy: 0.5126374057315246
Energy: 0.5368115663818244
Energy: 0.5285203667516248
Energy: 0.5123494410754749
Energy: 0.720228915406962
Energy: 0.5230339266025251
Energy: 0.5169498908480797
Energy: 0.5243436795436753
Energy: 0.5285675074049105
Energy: 0.5140954056978027
Energy: 0.7208067184171353
Energy: 0.5160493349193287
Energy: 0.515829110255414
Energy: 0.5230690568356903
Energy: 0.5165846002687744
Energy: 0.5250414682075181
Energy: 0.6272573482135969
Energy: 0.5327480591758225
Energy: 0.5345676036142756
Energy: 0.54831169250161
Energy: 0.5339345247993942
Energy: 0.5338861668452035
Energy: 0.6299687764103443
Energy: 0.5317317983417554
Energy: 0.5315208637215446
Energy: 0.5325947206746681
Energy: 0.5318308807310219
Energy: 0.5322902860729977
Energy: 0.629619837390758
Energy: 0.5319506156426639
Energy: 0.5321891247192158
Energy: 0.5334066167105571
Energy: 0.5141341143844137
Energy: 0.5323201943509215
Energy: 0.6183115638202129
Energy: 0.5111393111899994
Energy: 0.5109496369481981
Energy: 0.5168912066303454
Energy: 0.510102502134469
Energy: 0.5111722094574295
Energy: 0.5339390917753142
Energy: 0.5096655286609196
Energy: 0.509975287913593
Energy: 0.5291728911089353
Energy: 0.5096160450221384
Energy: 0.5254371855362776
Energy: 0.5340902782958319
Energy: 0.5275969484727402
Energy: 0.5141065110500432
Energy: 0.5288073632860196
Energy: 0.5151915317096045
Energy: 0.5121448365139089
Energy: 0.5349561175495119
Energy: 0.5141771077576823
Energy: 0.5144311424840728
Energy: 0.5298178520733299
Energy: 0.511055274762409
Energy: 0.5145724502137272
Energy: 0.561943325332868
Energy: 0.5651985591870097
Energy: 0.5277320477229955
Energy: 0.5218262308184947
Energy: 0.5256196540060666
Energy: 0.512470998920991
Energy: 0.5620906276524837
Energy: 0.517729291684221
Energy: 0.518333440547598
Energy: 0.5340973926594292
Energy: 0.517341308433163
Energy: 0.5183253390673445
Energy: 0.562195563231615
Energy: 0.5236775094964559
Energy: 0.4996896136575321
Energy: 0.5185605020743467
Energy: 0.5322682431880489
Energy: 0.4998884853956389
Energy: 0.6640813157717489
Energy: 0.5197871797935227
Energy: 0.5183861750286518
Energy: 0.5201573109178113
Energy: 0.5238711298469542
Energy: 0.5181411788941745
Energy: 0.6652668297881916
Energy: 0.5185520738865532
Energy: 0.5190104735594782
Energy: 0.5295954717938629
Energy: 0.5182281048068393
Energy: 0.5289592108307479
Energy: 0.6725173038555569
Energy: 0.5260366590856737
Energy: 0.5185247880086383
Energy: 0.5256849334511904
Energy: 0.5261685945908411
Energy: 0.5186907914720538
Energy: 0.7752337928684264
Energy: 0.5211716924188587
Energy: 0.5171999950904095
Energy: 0.5116898130973209
Energy: 0.5212711489302752
Energy: 0.5264571521830541

minimum gb energy = 0.4996896136575321 eV
minimum distance =  2.65403427172485 Angstroms
sigma value = 19


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

Energy: 0.6845762383911669
Energy: 0.49290272443136335
Energy: 0.48944158807488913
Energy: 0.4897106992766008
Energy: 0.49244167724403487
Energy: 0.48966037440035964
Energy: 0.5935298461151794
Energy: 0.4914086742657174
Energy: 0.4786920921305921
Energy: 0.4954205445102213
Energy: 0.5062525802644826
Energy: 0.4780134655246996
Energy: 0.7342984381287754
Energy: 0.491230235255307
Energy: 0.4910504819529487
Energy: 0.4783956705855564
Energy: 0.5057162924082587
Energy: 0.47777160708650845
Energy: 0.5880038562478038
Energy: 0.49062878916527347
Energy: 0.47870046628774743
Energy: 0.5049978578501957
Energy: 0.558917160783435
Energy: 0.4782438551218758
Energy: 0.59269064803261
Energy: 0.505968794044617
Energy: 0.49585615532616306
Energy: 0.49530213592071687
Energy: 0.5092817502070458
Energy: 0.4953558683638165
Energy: 0.5925029067649059
Energy: 0.4603575079687746
Energy: 0.4947335494450799
Energy: 0.5099321600864579
Energy: 0.4945194738059507
Energy: 0.49505705355695495
Energy: 0.598736334644396
Energy: 0.49580371421943226
Energy: 0.4941370913489865
Energy: 0.5092751901511225
Energy: 0.4683510275655466
Energy: 0.494431557745499
Energy: 0.5546485486395015
Energy: 0.46075124500917686
Energy: 0.46115322238508333
Energy: 0.558305742643411
Energy: 0.46042786617882675
Energy: 0.4609567027564457
Energy: 0.5056142712259136
Energy: 0.4611277164732318
Energy: 0.46079371822958937
Energy: 0.5056297792164369
Energy: 0.46093962777883096
Energy: 0.46068701496164316
Energy: 0.5055817182848662
Energy: 0.47784105967892265
Energy: 0.4777765066297754
Energy: 0.5060920220908398
Energy: 0.4957796812425207
Energy: 0.47794326200956516
Energy: 0.5044866754539387
Energy: 0.4903024021303993
Energy: 0.49075690535397437
Energy: 0.504973026536679
Energy: 0.5041756597866894
Energy: 0.49291558463309826
Energy: 0.5927234888173669
Energy: 0.5090163257617304
Energy: 0.5118955077398889
Energy: 0.49200866538111393
Energy: 0.4955737963913079
Energy: 0.47843203302075854
Energy: 0.49264622804554337
Energy: 0.4963251553628798
Energy: 0.4960495487240148
Energy: 0.49414135153764255
Energy: 0.508824110412882
Energy: 0.4963652100675322
Energy: 0.5928796660792132
Energy: 0.5099476445570618
Energy: 0.4958290706463084
Energy: 0.4920668459273648
Energy: 0.5101599605135078
Energy: 0.49603574683926627
Energy: 0.6797742087826969
Energy: 0.4908935273592569
Energy: 0.49116263499096324
Energy: 0.4611076234675011
Energy: 0.49081636876710577
Energy: 0.4607156482036136
Energy: 0.6804038300626642
Energy: 0.49333179306834263
Energy: 0.4610072886724107
Energy: 0.4604283994874235
Energy: 0.505795485727444
Energy: 0.4610353173336553
Energy: 0.592866443194874
Energy: 0.4923138390534726
Energy: 0.4920532977705626
Energy: 0.4960766686762847
Energy: 0.5052085872950302
Energy: 0.47775464858675576
Energy: 0.5879378924439991
Energy: 0.49077539440791845
Energy: 0.47792016631498985
Energy: 0.5042192915052228
Energy: 0.5055433230070251
Energy: 0.4773430172454145
Energy: 0.587335530730403
Energy: 0.4909349886293158
Energy: 0.49115600156708905
Energy: 0.504368142071996
Energy: 0.4909285053134318
Energy: 0.4780076821347927
Energy: 0.5931356078090113
Energy: 0.46028395376490755
Energy: 0.495897370958615
Energy: 0.4961326662905401
Energy: 0.4942423869347878
Energy: 0.49586796182542114
Energy: 0.5896178216940313
Energy: 0.49528255450799846
Energy: 0.4965150930868226
Energy: 0.510015587335703
Energy: 0.5093000871113632
Energy: 0.5083255323840681
Energy: 0.5926719985828774
Energy: 0.4956746756547556
Energy: 0.4953967232897871
Energy: 0.5102810232164273
Energy: 0.5449223436843411
Energy: 0.4955001291361699
Energy: 0.5555657248526784
Energy: 0.46169818294886367
Energy: 0.48986998663045844
Energy: 0.5093099767215237
Energy: 0.4611025253255134
Energy: 0.4895449798368808
Energy: 0.506539284382855
Energy: 0.4787183570373146
Energy: 0.4779207618857929
Energy: 0.506458000907538
Energy: 0.48409219310482543
Energy: 0.4786572815378663
Energy: 0.5059149125933473
Energy: 0.47800242231388973
Energy: 0.4778645036751001
Energy: 0.5058346315490047
Energy: 0.4781902144191054
Energy: 0.4776648018930458
Energy: 0.5569895704075626
Energy: 0.49033325155132124
Energy: 0.4919869473867367
Energy: 0.5578146565059303
Energy: 0.504426534904656
Energy: 0.47865183634494285
Energy: 0.5933637432942139
Energy: 0.49558234829532477
Energy: 0.4964528782596741
Energy: 0.50917910322006
Energy: 0.4952801320586261
Energy: 0.4959873457588125
Energy: 0.49618630577927564
Energy: 0.49518921008374717
Energy: 0.4948696316719885
Energy: 0.4934824635528521
Energy: 0.5099280188484747
Energy: 0.4957677839495565
Energy: 0.5563056832995651
Energy: 0.5099409258558173
Energy: 0.5096301348079485
Energy: 0.46874922588504536
Energy: 0.5097358706081256
Energy: 0.49389163887021204
Energy: 0.6814063380833513
Energy: 0.47776532104602937
Energy: 0.46098058028179323
Energy: 0.4605620787175716
Energy: 0.49066570430864254
Energy: 0.46092800123259603

minimum gb energy = 0.46028395376490755 eV
minimum distance =  2.68561137089561 Angstroms
sigma value = 27


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

Energy: 0.6104021035917357
Energy: 0.49691088814958617
Energy: 0.5112160534437485
Energy: 0.4356607819330919
Energy: 0.8518357782316477
Energy: 0.5120586126113391
Energy: 0.58761392754455
Energy: 0.4701058007346946
Energy: 0.44964198860983373
Energy: 0.48485112335091857
Energy: 0.49568089165932877
Energy: 0.4500490895447573
Energy: 0.543046021221206
Energy: 0.4858341816704296
Energy: 0.46115384102592766
Energy: 0.4503251164873724
Energy: 0.485495754377963
Energy: 0.46094280015538225
Energy: 0.6858462749007499
Energy: 0.4739576426308428
Energy: 0.47276109310944775
Energy: 0.46849940317658445
Energy: 0.5153378757274649
Energy: 0.4503457051045398
Energy: 0.5869170704138794
Energy: 0.4380101207853433
Energy: 0.4563444176192808
Energy: 0.5195055260424557
Energy: 0.43833885245238385
Energy: 0.44924256302260485
Energy: 0.4972390749728645
Energy: 0.43828917883059315
Energy: 0.43804250945478146
Energy: 0.49681287908309324
Energy: 0.45226383537919096
Energy: 0.4381105024987275
Energy: 0.49768293152111603
Energy: 0.4706350786187169
Energy: 0.4700248908536129
Energy: 0.49847178826831773
Energy: 0.4764351780819089
Energy: 0.47010277973168574
Energy: 0.49530164284580563
Energy: 0.46033358882380404
Energy: 0.45902627331507023
Energy: 0.49587897753429666
Energy: 0.45957603567660515
Energy: 0.4846837166017906
Energy: 0.5430064471756743
Energy: 0.45701327373557726
Energy: 0.45128867977337384
Energy: 0.4955632438253059
Energy: 0.4640459383256943
Energy: 0.4641658490556728
Energy: 0.5427114223680682
Energy: 0.46076909446618414
Energy: 0.4598112998472678
Energy: 0.4983887679143136
Energy: 0.4616417156549549
Energy: 0.46003136737615324
Energy: 0.542646318809564
Energy: 0.48130480059776537
Energy: 0.4748258440850687
Energy: 0.4710479369908249
Energy: 0.5073843463928185
Energy: 0.47454167246151174
Energy: 0.5431855310237537
Energy: 0.45037392691674727
Energy: 0.44788892034826
Energy: 0.4900739056297588
Energy: 0.472925887433462
Energy: 0.44862520691789187

minimum gb energy = 0.4356607819330919 eV
minimum distance =  2.70422016486585 Angstroms
sigma value = 9


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

Energy: 1.0237045792102646
Energy: 0.4293327243044798
Energy: 0.44042042687565486
Energy: 0.4492137677600871
Energy: 0.42876072340476995
Energy: 0.4354356497644204
Energy: 0.49575865351068416
Energy: 0.42060544936645206
Energy: 0.4299780197911853
Energy: 0.4310056407000764
Energy: 0.43025624064747775
Energy: 0.4232807178449901
Energy: 0.4667880535049532
Energy: 0.4293162774771787
Energy: 0.4057008539348208
Energy: 0.43981837422037395
Energy: 0.42645154604342955
Energy: 0.40623275913215545
Energy: 0.4678394673290112
Energy: 0.4293489199663683
Energy: 0.4086180110510283
Energy: 0.440296018728127
Energy: 0.4376330261486278
Energy: 0.40886333321242196
Energy: 0.493072233754107
Energy: 0.4137633886680101
Energy: 0.4295555529905144
Energy: 0.4305616160907609
Energy: 0.4112709054928844
Energy: 0.42739215839704625
Energy: 0.44424919156903464
Energy: 0.3944227749198994
Energy: 0.43688512900240467
Energy: 0.4440238663518916
Energy: 0.4293197027317039
Energy: 0.4404998570196977
Energy: 0.4317128830282839
Energy: 0.3998015140832076
Energy: 0.4298703228343816
Energy: 0.43279507250385574
Energy: 0.4199221424350723
Energy: 0.4313921733416212
Energy: 0.4352618334090902
Energy: 0.4104444509353735
Energy: 0.4174945574928999
Energy: 0.4346486310363005
Energy: 0.44470684869423566
Energy: 0.4250569797481949
Energy: 0.530677030550006
Energy: 0.42519548101957394
Energy: 0.4327916451827886
Energy: 0.4427793839133129
Energy: 0.4255159063005448
Energy: 0.4356662290437022
Energy: 0.704591658555704
Energy: 0.4267577211595343
Energy: 0.4282393017057272
Energy: 0.4357347970963201
Energy: 0.44034459328282927
Energy: 0.41234116828828643
Energy: 0.42526696924324214
Energy: 0.43102118888546365
Energy: 0.4174959398610773
Energy: 0.431632953602106
Energy: 0.4306085796565107
Energy: 0.43726437192943834
Energy: 0.5316455249932552
Energy: 0.4315480291956706
Energy: 0.43254749175266965
Energy: 0.4135957216922587
Energy: 0.4307920942123431
Energy: 0.40453449072304004
Energy: 0.547583591698441
Energy: 0.4319367923600205
Energy: 0.4202691726545704
Energy: 0.44180714345308275
Energy: 0.5274303253232356
Energy: 0.43075175446754094
Energy: 0.5408678939826655
Energy: 0.43495996309316226
Energy: 0.43695032458930433
Energy: 0.4134261046190959
Energy: 0.4307561401739646
Energy: 0.41327394089868374
Energy: 0.43197913261149545
Energy: 0.4465500874738753
Energy: 0.44420002315602963
Energy: 0.433811492474219
Energy: 0.4492643831830948
Energy: 0.4300768296496827
Energy: 0.4328226064023233
Energy: 0.4489732927374609
Energy: 0.4338022443221255
Energy: 0.43352057398273386
Energy: 0.4473004076064511
Energy: 0.43496110595975573
Energy: 0.43298252831219036
Energy: 0.40957926363903313
Energy: 0.4123859395977001
Energy: 0.43291486986241895
Energy: 0.4086407780491133
Energy: 0.43072762574647067
Energy: 0.4961564129519404
Energy: 0.4077801213915498
Energy: 0.4251252483641189
Energy: 0.4326530269297786
Energy: 0.44309604349044596
Energy: 0.43790770163560755
Energy: 0.4692285791597353
Energy: 0.43355049756446423
Energy: 0.4235067973687589
Energy: 0.4438712210574191
Energy: 0.43135960088798336
Energy: 0.4385105823325089
Energy: 0.4664316565280982
Energy: 0.43523332178985724
Energy: 0.43585665461534423
Energy: 0.4322022622112496
Energy: 0.4327346195876279
Energy: 0.43670398777092057
Energy: 0.46598883405349856
Energy: 0.42983986713269123
Energy: 0.42998094700422335
Energy: 0.4268341575393296
Energy: 0.4385723939480979
Energy: 0.43220056653622135
Energy: 0.5004586482717214
Energy: 0.44008157177985774
Energy: 0.43761852697346715
Energy: 0.44691141249921323
Energy: 0.42173123406033314
Energy: 0.4402944636489548
Energy: 0.49733569580536713
Energy: 0.4200839988806502
Energy: 0.4396973245852816
Energy: 0.4179406319590544
Energy: 0.4211593303767312
Energy: 0.404679044488032
Energy: 0.46621200257738227
Energy: 0.4331652243218511
Energy: 0.4357368864633073
Energy: 0.44073059816055593
Energy: 0.4346000228387773
Energy: 0.43488523622206093
Energy: 0.6273442348088335
Energy: 0.4382255310262524
Energy: 0.4297587595185838
Energy: 0.4474616253394006
Energy: 0.4355000362869276
Energy: 0.4480767867884297
Energy: 0.46658226074578074
Energy: 0.40911044242053374
Energy: 0.41045339570341044
Energy: 0.43057291492089494
Energy: 0.41381456264794964
Energy: 0.43382386225168856
Energy: 0.4187022745843432
Energy: 0.3948951602910282
Energy: 0.4383212344334266
Energy: 0.4191848949674351
Energy: 0.40553724718539197
Energy: 0.4144071719342113
Energy: 0.4306863641614787
Energy: 0.40971074291384807
Energy: 0.40156105387398655
Energy: 0.4306603964972022
Energy: 0.4169401374751492
Energy: 0.4297071771532866
Energy: 0.43655111957447007
Energy: 0.43006815168182916
Energy: 0.43785873660210983
Energy: 0.43084417025931304
Energy: 0.4279353313698408
Energy: 0.4175164099988205
Energy: 0.4195585503790119
Energy: 0.4233837905929558
Energy: 0.42344024710476735
Energy: 0.4457687514848104
Energy: 0.4364322249016873
Energy: 0.42623432302637204
Energy: 0.4253534774151994
Energy: 0.42758487528569483
Energy: 0.4355227983242568
Energy: 0.4307810333272559
Energy: 0.42539529408082544
Energy: 0.41880534861623936
Energy: 0.6030551428679946
Energy: 0.42585205501903134
Energy: 0.43069757885383997
Energy: 0.4354130661631785
Energy: 0.42431088735431627
Energy: 0.4118990139501284
Energy: 0.5425121283216038
Energy: 0.4374650125955799
Energy: 0.4347698538484685
Energy: 0.44649825676623306
Energy: 0.4328652338962562
Energy: 0.42998435817078007
Energy: 0.551404200902134
Energy: 0.4303581150686828
Energy: 0.4324219014165988
Energy: 0.44746482895783657
Energy: 0.43002095495588966
Energy: 0.4257082411077248
Energy: 0.46204260780765355
Energy: 0.4374873372358108
Energy: 0.43597658499500774
Energy: 0.42468066486930356
Energy: 0.4315382265824509
Energy: 0.42814153926894544
Energy: 0.5419666558188851
Energy: 0.44432225427863437
Energy: 0.4020023212035723
Energy: 0.43718207522277946
Energy: 0.4450062357488244
Energy: 0.40880423590011417
Energy: 0.431836276680468
Energy: 0.4415394394286883
Energy: 0.43589395337356934
Energy: 0.4263751323643512
Energy: 0.4437321590549867
Energy: 0.4052569589021942
Energy: 0.43149223257573016
Energy: 0.43205651664183264
Energy: 0.4225513225269359
Energy: 0.431572542016135
Energy: 0.43248129828921056
Energy: 0.4298818888847577
Energy: 0.45647517211937405
Energy: 0.43424219123339225
Energy: 0.42291873687665943
Energy: 0.4221066345461872
Energy: 0.4375039021155253
Energy: 0.4266708296925378
Energy: 0.4678377527168605
Energy: 0.4271693254237429
Energy: 0.43585556481707216
Energy: 0.43112091264206237
Energy: 0.427226171202965
Energy: 0.4302023659746025
Energy: 0.4654468610672969
Energy: 0.4383255661854765
Energy: 0.439774445854697
Energy: 0.43145680313140544
Energy: 0.4292117219218543
Energy: 0.43626315473885324
Energy: 0.46591004073304404
Energy: 0.43144402618663774
Energy: 0.43335559951961566
Energy: 0.4284189529816553
Energy: 0.43793893454347765
Energy: 0.4288540179401415
Energy: 0.4972531361051103
Energy: 0.4375741589289909
Energy: 0.43914096523536283
Energy: 0.41766321198344175
Energy: 0.4246239098526687
Energy: 0.40482601626320214

minimum gb energy = 0.3944227749198994 eV
minimum distance =  2.66061634308865 Angstroms
sigma value = 57


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

Energy: 0.39184546549230237
Energy: 0.3303719950969712
Energy: 0.2188793237598978
Energy: 0.20459423561536352
Energy: 0.35697691837903806
Energy: 0.36650549921013853
Energy: 0.47979941514260555
Energy: 0.336457552562581
Energy: 0.3771524162736097
Energy: 0.3364097591565347
Energy: 0.3344057223827019
Energy: 0.36668590320644284
Energy: 0.481688706743025
Energy: 0.46695574537379814
Energy: 0.3452022118375003
Energy: 0.35226875447390366
Energy: 0.3453186656147311
Energy: 0.47021085221281145
Energy: 0.4815526612276029
Energy: 0.4644785456974968
Energy: 0.47680244028474633
Energy: 0.4642370793741958
Energy: 0.46142274618662926
Energy: 0.4516149863886852
Energy: 0.4802862727063573
Energy: 0.2920431243210811
Energy: 0.28857014545717813
Energy: 0.4617055149862628
Energy: 0.20509702346652753
Energy: 0.4621476715158296
Energy: 0.44784428146463867
Energy: 0.2995682340758818
Energy: 0.300772971968981
Energy: 0.44915186826736875
Energy: 0.20829994235437077
Energy: 0.217132576371658
Energy: 0.4846738259127577
Energy: 0.45991760974188367
Energy: 0.4572529863509073
Energy: 0.4502808298293136
Energy: 0.4674926719260573
Energy: 0.46048229121842477
Energy: 0.5400440893105807
Energy: 0.5154507876514074
Energy: 0.5261883263164198
Energy: 0.5011807500466171
Energy: 0.47040371844428186
Energy: 0.46200657798900396
Energy: 0.5165409663781112
Energy: 0.5092951647187886
Energy: 0.5141568142885853
Energy: 0.5214727237639514
Energy: 0.5198830459720868
Energy: 0.5171241373024883
Energy: 0.20895084509778322
Energy: 0.5217888905937097
Energy: 0.22067123670018535
Energy: 0.2091052934443251
Energy: 0.531189833876903
Energy: 0.2187864649333107
Energy: 0.2047393133670822
Energy: 0.5146800098489067
Energy: 0.5215683612538564
Energy: 0.204948329738247
Energy: 0.5097252387521379
Energy: 0.2217617162218526
Energy: 0.5277251993680238
Energy: 0.5182776894689171
Energy: 0.5118720737814684
Energy: 0.5116670392643226
Energy: 0.5151430261572774
Energy: 0.5079840924934488
Energy: 0.5336976487829908
Energy: 0.4558750003426413
Energy: 0.4584119407947597
Energy: 0.4812709556367228
Energy: 0.5254526952748071
Energy: 0.5223641939868588
Energy: 0.504887817078307
Energy: 0.46317646090315534
Energy: 0.470142045956512
Energy: 0.4415149453868514
Energy: 0.46314351659795633
Energy: 0.46943131519241826
Energy: 0.47097104664484585
Energy: 0.20787290183955584
Energy: 0.2178999577180069
Energy: 0.4578079516622866
Energy: 0.2957212574878925
Energy: 0.29335364169941486
Energy: 0.461235177561423
Energy: 0.4640091118312736
Energy: 0.46274399577504693
Energy: 0.46277891084673245
Energy: 0.29761513379207066
Energy: 0.4598220755028296
Energy: 0.4632505692864291
Energy: 0.45738689135853033
Energy: 0.46222185579798813
Energy: 0.4630903097283058
Energy: 0.5063414546845384
Energy: 0.47735805191548164
Energy: 0.4815174547941582
Energy: 0.4728399159971383
Energy: 0.3562688328960342
Energy: 0.3451558038992963
Energy: 0.331947150342437
Energy: 0.4600690829978949
Energy: 0.38583249246069895
Energy: 0.3824647174067435
Energy: 0.33110665703416636
Energy: 0.2050450594141616
Energy: 0.3964205488570861
Energy: 0.36847983107510673

minimum gb energy = 0.20459423561536352 eV
minimum distance =  2.66550651473971 Angstroms
sigma value = 11


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

Energy: 0.835310180693102
Energy: 0.42093733495377106
Energy: 0.4051165852087243
Energy: 0.36765737346580396
Energy: 0.4190400595150629
Energy: 0.40732481878154825
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Energy: 0.3638430863818686
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Energy: 0.3610731782015945
Energy: 0.3528403997384288
Energy: 0.3536623602333763
Energy: 0.3584334339079466
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Energy: 0.37840048284556105
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Energy: 0.36760772749362786
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Energy: 0.4806657927433951
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Energy: 0.36326567968037304
Energy: 0.3690602304082558
Energy: 0.36323884410475255
Energy: 0.36350944725497447
Energy: 0.5342381191384358
Energy: 0.3782607598513188
Energy: 0.38137907786825953
Energy: 0.3767841437960554
Energy: 0.3944613299620401
Energy: 0.3760685457027293
Energy: 0.3725130447018406
Energy: 0.361629937903776
Energy: 0.3770592492576657
Energy: 0.3774451652873858
Energy: 0.3710614822860306
Energy: 0.3864241513721023
Energy: 0.35530104438367305
Energy: 0.3784129755454814
Energy: 0.38189920135603406
Energy: 0.3597528528842556
Energy: 0.3764851232622162
Energy: 0.38110476803652293
Energy: 0.35800889206251796
Energy: 0.35635843689154195
Energy: 0.35838779328271253
Energy: 0.3584099784814079
Energy: 0.35339863072485667
Energy: 0.3578397067918576
Energy: 0.35293384274604506
Energy: 0.35403945554796484
Energy: 0.3594520666586378
Energy: 0.35435043166269553
Energy: 0.35270979060735236
Energy: 0.3611196682077388
Energy: 0.41424256021976036
Energy: 0.36390772650934544
Energy: 0.3640863221849733
Energy: 0.39461100723734044
Energy: 0.36845801722118876
Energy: 0.35670724537633886

minimum gb energy = 0.340647113122843 eV
minimum distance =  2.67292665736141 Angstroms
sigma value = 41


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

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Energy: 0.4567817746334369
Energy: 0.3925330388402998
Energy: 0.366379334756633
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Energy: 0.3846201242149467
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Energy: 0.3776385875498056
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Energy: 0.3781765168853445
Energy: 0.37989956761307137
Energy: 0.38752538426695515
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Energy: 0.3834487608284437
Energy: 0.3845949124788709
Energy: 0.3872570264472497
Energy: 0.5811407428397438
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Energy: 0.38232127010270067
Energy: 0.430883124395296
Energy: 0.38156059280854987
Energy: 0.3865109999829232
Energy: 0.3841595391965705
Energy: 0.37287011229488826
Energy: 0.38691596696900704
Energy: 0.37976120664761803
Energy: 0.37672594158395273
Energy: 0.3767945504238303
Energy: 0.37438333442383365
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Energy: 0.37684897591158106
Energy: 0.41994455765552113
Energy: 0.4135752963279178
Energy: 0.3859385232600046
Energy: 0.4182727778205054
Energy: 0.41241636558044026
Energy: 0.37791726709955703
Energy: 0.3888022464126572
Energy: 0.3798459178705498
Energy: 0.3811737475190425
Energy: 0.3832447715941193
Energy: 0.3832755954562651
Energy: 0.38475676837074346
Energy: 0.37887291769498027
Energy: 0.38894590074461166
Energy: 0.38840167795251024
Energy: 0.37937764176623767
Energy: 0.37946130989045446
Energy: 0.3799777997560601
Energy: 0.7600364107284583
Energy: 0.38395048217874045
Energy: 0.4316951072795318
Energy: 0.36792101326076015
Energy: 0.3876658728228237
Energy: 0.38659661625112357

minimum gb energy = 0.30169316673201163 eV
minimum distance =  2.63779121057989 Angstroms
sigma value = 33


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

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Energy: 0.4003574063956483
Energy: 0.39575892973989
Energy: 0.473022897073629
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Energy: 0.4075493011785163
Energy: 0.41015379547830916
Energy: 0.4129229562564013
Energy: 0.40659315085682307
Energy: 0.41122660388801946
Energy: 0.41615417217823836
Energy: 0.40491540986829694
Energy: 0.41281271848195267
Energy: 0.4027595570352354
Energy: 0.4094379705809088
Energy: 0.408491078965876
Energy: 0.4504386929855784
Energy: 0.40460708698127384
Energy: 0.4229588751688184
Energy: 0.3938777334734695
Energy: 0.40587964909527624
Energy: 0.3867890156571998

minimum gb energy = 0.3857085979260082 eV
minimum distance =  2.65636429324967 Angstroms
sigma value = 67


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

Energy: 0.5434513272336876
Energy: 0.4362325926639364
Energy: 0.4089144337171582
Energy: 0.4085821113042625
Energy: 0.42972404021949434
Energy: 0.40889608096508134
Energy: 0.4370609043977548
Energy: 0.4077453052353774
Energy: 0.406440909921229
Energy: 0.4064776634130776
Energy: 0.4096771058663806
Energy: 0.40628434201016034
Energy: 0.461615037758715
Energy: 0.4100204182288747
Energy: 0.42971303541138867
Energy: 0.4230122806605673
Energy: 0.4119007094309776
Energy: 0.4292543163258749
Energy: 0.4379951488757298
Energy: 0.40633800141374177
Energy: 0.4061803404345526
Energy: 0.407529896929858
Energy: 0.40589330382341454
Energy: 0.4060526136235591
Energy: 0.43698119538703056
Energy: 0.4069446423729868
Energy: 0.4065667999387582
Energy: 0.41502816275242727
Energy: 0.4066003357244226
Energy: 0.414794011593954
Energy: 0.4454570648577188
Energy: 0.4083665268676193
Energy: 0.4105397575617688
Energy: 0.43049947357554585
Energy: 0.40929415860286683
Energy: 0.4117859057832569
Energy: 0.4766584162315664
Energy: 0.40793448600859467
Energy: 0.40655319437635107
Energy: 0.38778813149161306
Energy: 0.40924684184444343
Energy: 0.40717790219032335

minimum gb energy = 0.38778813149161306 eV
minimum distance =  2.71645092896577 Angstroms
sigma value = 3


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

Energy: 0.6391621999867559
Energy: 0.5480412642062948
Energy: 0.4796569342658791
Energy: 0.46009574145900806
Energy: 0.8212448157868293
Energy: 0.47903039661418917
Energy: 0.45233073690389447
Energy: 0.45400391972628795
Energy: 0.4549172798723053
Energy: 0.4555255949628008
Energy: 0.49541694479007686
Energy: 0.45475369962425116
Energy: 0.51990782898246
Energy: 0.4542304981275137
Energy: 0.45381899787387353
Energy: 0.5206591304867202
Energy: 0.45418754592831184
Energy: 0.453528989867557
Energy: 0.452715057134559
Energy: 0.45365143603060326
Energy: 0.4528331706848
Energy: 0.45352689331086365
Energy: 0.4542943579789871
Energy: 0.4524938232650326
Energy: 0.4610650065411053
Energy: 0.4518629436855866
Energy: 0.45258791125554354
Energy: 0.46146005394999157
Energy: 0.47260022648654115
Energy: 0.45238603209165584
Energy: 0.505964293574677
Energy: 0.47292835461008687
Energy: 0.4517545378365111
Energy: 0.45310172767211193
Energy: 0.4736445949833528
Energy: 0.4538753097898151
Energy: 0.4536798584512083
Energy: 0.47673480206788976
Energy: 0.4754724342093928
Energy: 0.45937471104537664
Energy: 0.48870696041365774
Energy: 0.47080004866426367
Energy: 0.5811498334116205
Energy: 0.49220796798014943
Energy: 0.5016689247064768
Energy: 0.45127297881310163
Energy: 0.5116563627686045
Energy: 0.5017669960220975
Energy: 0.45547849529786716
Energy: 0.4526964164701739
Energy: 0.467444065005929
Energy: 0.460612645663493
Energy: 0.4636672535126979
Energy: 0.46602325332438066
Energy: 0.4895331071846952
Energy: 0.4958425144659247
Energy: 0.4698319859665201
Energy: 0.49140083153585323
Energy: 0.4493133588367779
Energy: 0.4762824919309862
Energy: 0.4709131551889749
Energy: 0.45590574074381907
Energy: 0.470604409131465
Energy: 0.4714292990402421
Energy: 0.4524321990006692
Energy: 0.469339115258855
Energy: 0.5078701354313531
Energy: 0.4594792061323536
Energy: 0.4525495739585762
Energy: 0.4693897592817027
Energy: 0.456767093251673
Energy: 0.473131702108586
Energy: 0.48304764320597304
Energy: 0.4519384958803005
Energy: 0.4529917275704022
Energy: 0.4659077150113018
Energy: 0.4628936825380796
Energy: 0.45269774571123855
Energy: 0.49287218289856083
Energy: 0.455961486161471
Energy: 0.45184176249438146
Energy: 0.48281704546693627
Energy: 0.4528082467056008
Energy: 0.4509011260083702
Energy: 0.5864025429236436
Energy: 0.5323088242457129
Energy: 0.4814634558828397
Energy: 0.4540624801429539
Energy: 0.52917429957652
Energy: 0.4559374110264705
Energy: 0.49348813697378346
Energy: 0.45823997674273
Energy: 0.4519549583760474
Energy: 0.4761429744664259
Energy: 0.4650569618305729
Energy: 0.45525256470188546
Energy: 0.563899328678766
Energy: 0.4646429510753264
Energy: 0.45990539057817975
Energy: 0.4928060354693305
Energy: 0.454759079943564
Energy: 0.4869719379122644
Energy: 0.47474989229180614
Energy: 0.4669556748392689
Energy: 0.47592266801795424
Energy: 0.47117613957726806
Energy: 0.45816220722576756
Energy: 0.47982309583408506
Energy: 0.46734535716541203
Energy: 0.45429911180127047
Energy: 0.46982425521420507
Energy: 0.46302860479237046
Energy: 0.5050609438880971
Energy: 0.4495825781685378
Energy: 0.5440899796856633
Energy: 0.462104669765222
Energy: 0.4664883019860306
Energy: 0.45171915973557447
Energy: 0.4615553762167372
Energy: 0.45630750281073346
Energy: 0.48386181848021276
Energy: 0.4731307726444808
Energy: 0.47380088505578893
Energy: 0.47328781685164256
Energy: 0.47138355938687476
Energy: 0.47392887972521297
Energy: 0.4703958314891105
Energy: 0.5203990782082929
Energy: 0.5172366347665762
Energy: 0.4719596438835275
Energy: 0.5222746011173253
Energy: 0.4703362607346407
Energy: 0.4738740854192973
Energy: 0.46594271590106007
Energy: 0.47441947949664265
Energy: 0.4738034134153583
Energy: 0.4791588916286323
Energy: 0.47469389085895064
Energy: 0.4731716341582899
Energy: 0.49248212361527594
Energy: 0.44903249440563286
Energy: 0.4739104561585604
Energy: 0.48379111700588184
Energy: 0.47154638771797414
Energy: 0.46009694148915925
Energy: 0.46786112471538704
Energy: 0.45466669249697794
Energy: 0.4550072557592173
Energy: 0.4614809875633319
Energy: 0.4550197044846368
Energy: 0.5993987761813321
Energy: 0.4766480915748716
Energy: 0.4584034113646102
Energy: 0.46253868528516157
Energy: 0.48719467381006026
Energy: 0.4655556493345038
Energy: 0.44570116277237043
Energy: 0.4929583735919563
Energy: 0.4586827025359782
Energy: 0.44803362333821145
Energy: 0.4992263799843181
Energy: 0.46648795637915125
Energy: 0.4601782704417775
Energy: 0.45504640833137194
Energy: 0.45499656191073823
Energy: 0.45516137933568934
Energy: 0.4552783457031088
Energy: 0.45529249871405225
Energy: 0.4701668148637124
Energy: 0.46064067865862696
Energy: 0.45436345506733916
Energy: 0.47060146438784056
Energy: 0.4542984669721907
Energy: 0.4628889421075569
Energy: 0.4620798859092123
Energy: 0.46968593746629655
Energy: 0.4659038619041563
Energy: 0.4625411742550305
Energy: 0.5112383902706462
Energy: 0.46728820270386245
Energy: 0.46164507948413724
Energy: 0.500370650419763
Energy: 0.4606682671484214
Energy: 0.46286201167605856
Energy: 0.5171547799576051
Energy: 0.4635296088952041
Energy: 0.46682374265733045
Energy: 0.47317661092144014
Energy: 0.47816843385238844
Energy: 0.47341391067658006
Energy: 0.4760747321742097
Energy: 0.47367137915972274
Energy: 0.5822854057836974
Energy: 0.485712240849457
Energy: 0.4824726589634972
Energy: 0.4501874197201538
Energy: 0.4883706874286283
Energy: 0.46203392833712686
Energy: 0.4539588795424516
Energy: 0.4525244196013763
Energy: 0.45669756541698275
Energy: 0.461407309382688
Energy: 0.4670033242982807
Energy: 0.48376729265156276
Energy: 0.4787624427140102
Energy: 0.46535379865156135
Energy: 0.46717586640492875
Energy: 0.4688572896060127
Energy: 0.4672546459726997
Energy: 0.47764987580367246
Energy: 0.5010331758303409
Energy: 0.44926852403330525
Energy: 0.44951872195748893
Energy: 0.49931873464473614
Energy: 0.44927006594179303
Energy: 0.47256830457474097
Energy: 0.49644377875477796
Energy: 0.4537249195195878
Energy: 0.45231979464145494
Energy: 0.48866810616941664
Energy: 0.47428108017982146
Energy: 0.48379235264080866
Energy: 0.48523147094050656
Energy: 0.5189219895199244
Energy: 0.5203767832096327
Energy: 0.5424714882034511
Energy: 0.5150230906195953
Energy: 0.5235776884657888
Energy: 0.4996071090830465
Energy: 0.45715983349846656
Energy: 0.45032976263472857
Energy: 0.48923188756139574
Energy: 0.4551570726463487
Energy: 0.45048442019970597
Energy: 0.5142303257104919
Energy: 0.45861879939183475
Energy: 0.45190082397939835
Energy: 0.45404401985660103
Energy: 0.45652369567290324
Energy: 0.45131786783511446
Energy: 0.52233494445378
Energy: 0.45451844679410347
Energy: 0.4580800905112211
Energy: 0.45112154651676095
Energy: 0.47002684786550264
Energy: 0.451796978793088
Energy: 0.5125293549865522
Energy: 0.4609009156300893
Energy: 0.4581127005465806
Energy: 0.4785338827960192
Energy: 0.46179465848689105
Energy: 0.45157236868229617
Energy: 0.5948015668715347
Energy: 0.4666178847593774
Energy: 0.46561551587539696
Energy: 0.5204811128629686
Energy: 0.46920232443959065
Energy: 0.49209463514647217
Energy: 0.466789174082531
Energy: 0.45315855305534425
Energy: 0.4527738767113963
Energy: 0.45830335893672675
Energy: 0.45626727215208646
Energy: 0.45117579771002897
Energy: 0.6331072174667306
Energy: 0.4637349455602206
Energy: 0.48690726924272876
Energy: 0.5287271047134231
Energy: 0.46251061407926225
Energy: 0.460278688283323
Energy: 0.4663373757675244
Energy: 0.4639245442389571
Energy: 0.46698179442158605
Energy: 0.4688286051981202
Energy: 0.46432834589705574
Energy: 0.46592001493428375
Energy: 0.525507823571442
Energy: 0.46405737509938916
Energy: 0.4633232004116743
Energy: 0.46538105823653647
Energy: 0.46226773101752394
Energy: 0.4653409083821009
Energy: 0.47306911300042925
Energy: 0.4690143197183757
Energy: 0.4615780546285395
Energy: 0.4621071949552269
Energy: 0.46334561943313207
Energy: 0.46150782888252323
Energy: 0.45887704922623596
Energy: 0.4488922868487912
Energy: 0.4633777276601337
Energy: 0.45961951742862883
Energy: 0.44878231233176546
Energy: 0.46198079310297163
Energy: 0.4557400018268161
Energy: 0.449561709989097
Energy: 0.4488731581822871
Energy: 0.4532880121746988
Energy: 0.4499013906875625
Energy: 0.45288710907892177
Energy: 0.4532210839978342
Energy: 0.46039624648496086
Energy: 0.46451379987365543
Energy: 0.46693072241741335
Energy: 0.4787375860825178
Energy: 0.4706586919513306

minimum gb energy = 0.44570116277237043 eV
minimum distance =  2.64894449666309 Angstroms
sigma value = 81


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

Energy: 0.7601074696644087
Energy: 0.4999366537456735
Energy: 0.4205557665899105
Energy: 0.41780808093822086
Energy: 0.7493422310491509
Energy: 0.41799896280110943
Energy: 0.4237126825702448
Energy: 0.42771596144868257
Energy: 0.44416811945565365
Energy: 0.4268359014522972
Energy: 0.4281504507750421
Energy: 0.43839156623368464
Energy: 0.4289471254867353
Energy: 0.4213963979182858
Energy: 0.45976842307539256
Energy: 0.4548776249195689
Energy: 0.41947846308035985
Energy: 0.4454748382061297
Energy: 0.42451835181820996
Energy: 0.41720498406157114
Energy: 0.44351302581653107
Energy: 0.424617047852127
Energy: 0.41852261117457695
Energy: 0.42457981382354365
Energy: 0.4245693313888774
Energy: 0.4414857957578152
Energy: 0.44202582445693506
Energy: 0.4248116114491691
Energy: 0.4463627375805608
Energy: 0.4422712482291512
Energy: 0.4273804199772825
Energy: 0.4446834904044088
Energy: 0.44237802668668197
Energy: 0.43204809919908954
Energy: 0.4424755480336484
Energy: 0.4421422083968956
Energy: 0.4229820274931819
Energy: 0.43874480505523483
Energy: 0.43852819625555894
Energy: 0.4278789572563202
Energy: 0.4294362796873212
Energy: 0.43832012398102066
Energy: 0.5042355999145368
Energy: 0.46715952211101347
Energy: 0.5252152754690885
Energy: 0.437839644356558
Energy: 0.46842577794210694
Energy: 0.4622059203981847
Energy: 0.42401434558756224
Energy: 0.43787711840023663
Energy: 0.4379873563875427
Energy: 0.42708746697869476
Energy: 0.4282220187462284
Energy: 0.43754429975302517
Energy: 0.5156497543762499
Energy: 0.4163893082566309
Energy: 0.4163904279769151
Energy: 0.5153446586966608
Energy: 0.417426324836428
Energy: 0.4164018548554331
Energy: 0.4301948016849756
Energy: 0.4176632501949709
Energy: 0.417731952543946
Energy: 0.4299139183430565
Energy: 0.41690291829864823
Energy: 0.44514619215228507
Energy: 0.41845592383616115
Energy: 0.4443956268520373
Energy: 0.44431885826642137
Energy: 0.41791591249295434
Energy: 0.43053739066585717
Energy: 0.44248912296710774
Energy: 0.4206857608916079
Energy: 0.42603739126176304
Energy: 0.44336082628886986
Energy: 0.41960490789418886
Energy: 0.4259656464143264
Energy: 0.44335854148168313
Energy: 0.4273314460321289
Energy: 0.4263466670908164
Energy: 0.4271258198911429
Energy: 0.4278220262241914
Energy: 0.4236860874475679
Energy: 0.4429190039229912
Energy: 0.4319885358108042
Energy: 0.44583030722263395
Energy: 0.4495166262424144
Energy: 0.4453485789090573
Energy: 0.5179543990335761
Energy: 0.4432773894800023
Energy: 0.4276836653026843
Energy: 0.44094232507335884
Energy: 0.44357683645189794
Energy: 0.42741832463854545
Energy: 0.42823781279232753
Energy: 0.43723545272868203
Energy: 0.5020148250820805
Energy: 0.4523784748762683
Energy: 0.4529230823162804
Energy: 0.5024516755361735
Energy: 0.44578790482718916
Energy: 0.4288489343123002
Energy: 0.42557604498116136
Energy: 0.4401007107926496
Energy: 0.44043288785753004
Energy: 0.4288921249766687
Energy: 0.42732596574914133
Energy: 0.4401196392534141
Energy: 0.4193042531441065
Energy: 0.43077354926486205
Energy: 0.4163919048660162
Energy: 0.41638813194546626
Energy: 0.43134451602965396
Energy: 0.41647375019202487
Energy: 0.4202518597235825
Energy: 0.43184219255826056
Energy: 0.41621768389174457
Energy: 0.41628160331032976
Energy: 0.4328323481508806
Energy: 0.41625757725211027
Energy: 0.42528658747566644
Energy: 0.4437718658607721
Energy: 0.4385845426194292
Energy: 0.42861687706513607
Energy: 0.42747529618669744
Energy: 0.4387673812154491
Energy: 0.42819485920644196
Energy: 0.4981372178156417
Energy: 0.4802222783426919
Energy: 0.4283147144447755
Energy: 0.4996242663047789
Energy: 0.4798947707110338
Energy: 0.42270030514075696
Energy: 0.43938312664380247
Energy: 0.4230593518003668
Energy: 0.42359564102554614
Energy: 0.42899933305653687
Energy: 0.430026278481134
Energy: 0.4275681865535204
Energy: 0.4426654563887122
Energy: 0.4425529085358987
Energy: 0.42899194145034175
Energy: 0.46513140588179636
Energy: 0.44045871217827137
Energy: 0.4246689269916446
Energy: 0.4386736488535206
Energy: 0.43843611976987973
Energy: 0.42853791586394313
Energy: 0.43944051866169875
Energy: 0.4416113666435046
Energy: 0.42931354992666965
Energy: 0.4427621538204212
Energy: 0.4422648807595092
Energy: 0.4388929506851484
Energy: 0.46669122410315367
Energy: 0.44281463954047384
Energy: 0.429131501182042
Energy: 0.4422524947374666
Energy: 0.44178997108306994
Energy: 0.4382516891734443
Energy: 0.44765036386726376
Energy: 0.4418893479955278
Energy: 0.4258117790897695
Energy: 0.41777076860722123
Energy: 0.4402207580400996
Energy: 0.42801605870757736
Energy: 0.43202683514301204
Energy: 0.44278186020055565
Energy: 0.45814952418275146
Energy: 0.4163008973177298
Energy: 0.416266780649748
Energy: 0.45952374122798684
Energy: 0.42640817406212594
Energy: 0.41718233665915955
Energy: 0.4265378463537843
Energy: 0.4416270675797951
Energy: 0.4377578766675885
Energy: 0.4268916882059947
Energy: 0.4278197771454202
Energy: 0.4375925292228009
Energy: 0.419029282990639
Energy: 0.4598683266039359
Energy: 0.44433260218026444
Energy: 0.41768890278026183
Energy: 0.5181152702194397
Energy: 0.44211258589516694
Energy: 0.42750821911199655
Energy: 0.42689128090399225
Energy: 0.43073480475667386
Energy: 0.4276478923367033
Energy: 0.42359467136971396
Energy: 0.4303058776872722
Energy: 0.4285389467522216
Energy: 0.4432319702174438
Energy: 0.44089079582622853
Energy: 0.44414438481985785
Energy: 0.4261814875737154
Energy: 0.4405347162557523
Energy: 0.4283992536641557
Energy: 0.441366514313885
Energy: 0.441624641061713
Energy: 0.44133107486623563
Energy: 0.4435044788802284
Energy: 0.44071400935133426
Energy: 0.4305368235305942
Energy: 0.441574513441975
Energy: 0.44039790708256676
Energy: 0.42988457314569617
Energy: 0.440514024119626
Energy: 0.44033192274899763
Energy: 0.561295946492472
Energy: 0.4637128366880177
Energy: 0.44513185002622896
Energy: 0.46939772462843726
Energy: 0.4398539672224795
Energy: 0.46579738378097824
Energy: 0.4244240169856616
Energy: 0.4435729437111851
Energy: 0.4377277321356012
Energy: 0.4270476982232809
Energy: 0.4283460889557864
Energy: 0.43748987765792074
Energy: 0.5807801665840354
Energy: 0.461782852964008
Energy: 0.4214051197587681
Energy: 0.41590592633371154
Energy: 0.46155230412884
Energy: 0.4209439737418116

minimum gb energy = 0.41590592633371154 eV
minimum distance =  2.691949639737 Angstroms
sigma value = 43


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

Energy: 0.5806643834089904
Energy: 0.5263720864174976
Energy: 0.47773327094337265
Energy: 0.4569143998821909
Energy: 0.5357079503014656
Energy: 0.45631221048628146
Energy: 0.4413317891481516
Energy: 0.4360396191943053
Energy: 0.45409315526757654
Energy: 0.43963064725574424
Energy: 0.4365013932426624
Energy: 0.44101060048537916
Energy: 0.44076241052716997
Energy: 0.4299081674409996
Energy: 0.4303643143945086
Energy: 0.4927042147341452
Energy: 0.46990444190536496
Energy: 0.441451599290399
Energy: 0.44104160442760404
Energy: 0.430731356589712
Energy: 0.4443486023408495
Energy: 0.441106082790901
Energy: 0.4400008221797795
Energy: 0.4439536138639293
Energy: 0.4397323273712985
Energy: 0.45016343481593446
Energy: 0.4559645235296286
Energy: 0.44156637964558104
Energy: 0.4565577776504521
Energy: 0.45083370048056925
Energy: 0.4398340667763616
Energy: 0.45053231815057165
Energy: 0.4562246255764901
Energy: 0.4495332754784435
Energy: 0.4405389927601614
Energy: 0.45494699564650387
Energy: 0.44010007640094373
Energy: 0.4411660789409086
Energy: 0.44268067365355857
Energy: 0.43973575349066574
Energy: 0.4396821438134221
Energy: 0.44494006434201827
Energy: 0.4637452283694287
Energy: 0.4402943392696034
Energy: 0.4393738822210612
Energy: 0.4353129055192633
Energy: 0.4408460768633136
Energy: 0.45894785099817675
Energy: 0.43881378321409037
Energy: 0.43987883093064634
Energy: 0.4406470366593499
Energy: 0.4397432123208026
Energy: 0.4399057889582779
Energy: 0.4455439396584345
Energy: 0.5646746828715346
Energy: 0.4455868979026075
Energy: 0.44339836892710377
Energy: 0.4360849241690555
Energy: 0.469459684274246
Energy: 0.445327007413786
Energy: 0.4329496041256917
Energy: 0.4338302853879531
Energy: 0.4535078027681639
Energy: 0.4450433674297586
Energy: 0.43439399716603555
Energy: 0.4557085357320765
Energy: 0.4554308190621079
Energy: 0.44007433607641205
Energy: 0.44208093567940676
Energy: 0.42995077515189173
Energy: 0.4411780375716266
Energy: 0.4427976562618344
Energy: 0.450538057544016
Energy: 0.43893721435241295
Energy: 0.45041708924798296
Energy: 0.43399557720853765
Energy: 0.43978794650196945
Energy: 0.4515140078412
Energy: 0.43268274292418546
Energy: 0.44410835993209324
Energy: 0.4658937236485672
Energy: 0.43992362714689937
Energy: 0.44095645397547356
Energy: 0.45491647327736157
Energy: 0.4327968190617955
Energy: 0.48420669649055925
Energy: 0.48709174611725964
Energy: 0.4328939670052433
Energy: 0.5249173196316884
Energy: 0.5196423137564257
Energy: 0.4346016900255065
Energy: 0.450415387540129
Energy: 0.4327058152917494
Energy: 0.4353728085131707
Energy: 0.44755844254030985
Energy: 0.4326416785073527
Energy: 0.4350846288580691
Energy: 0.43491369104572514
Energy: 0.43579502368487294
Energy: 0.43505278019509336
Energy: 0.432258774171567
Energy: 0.4342261844041899
Energy: 0.43442766056044746
Energy: 0.43335982064315604
Energy: 0.4330682466818352
Energy: 0.43339751374019336
Energy: 0.43391166605080134
Energy: 0.4331455178911379
Energy: 0.44504325107716053
Energy: 0.4330191148126289
Energy: 0.4329508483556863
Energy: 0.4334971948994159
Energy: 0.43420213234688354
Energy: 0.44638510350700117
Energy: 0.4443334395430371
Energy: 0.43338888580615437
Energy: 0.43320071812104255
Energy: 0.4341293140034411
Energy: 0.4337803986943285
Energy: 0.44279862350406585
Energy: 0.43436968684426164
Energy: 0.4338012669162137
Energy: 0.501300601179228
Energy: 0.4490897562697653
Energy: 0.4469676465861044
Energy: 0.4335134867658218
Energy: 0.5202971120949864
Energy: 0.4516394900952259
Energy: 0.4519927512796195
Energy: 0.5013443114993362
Energy: 0.43381592872295804
Energy: 0.45154774694067107
Energy: 0.46178993823092923
Energy: 0.4337223801999958
Energy: 0.43362386106624756
Energy: 0.4492966820547268
Energy: 0.4535877474559881
Energy: 0.4738516554967627
Energy: 0.4775975364765106
Energy: 0.4340252865870406
Energy: 0.4339224808359877
Energy: 0.4304145692846315
Energy: 0.48023075057376635
Energy: 0.43387434192926616
Energy: 0.48666687285950205
Energy: 0.4327447425361871
Energy: 0.4326265843118111
Energy: 0.4337888138638588
Energy: 0.4329954078456962
Energy: 0.4326401310854471
Energy: 0.47134157837597773
Energy: 0.4330144753224145
Energy: 0.43238500024082727
Energy: 0.444448675503856
Energy: 0.433333323728412
Energy: 0.44266721472312115
Energy: 0.472046044253919
Energy: 0.43251719267328753
Energy: 0.4472203536465157
Energy: 0.47148759767198206
Energy: 0.45063060371652713
Energy: 0.44265992979145263
Energy: 0.472225824981441
Energy: 0.4544794128667082
Energy: 0.4597678341050374
Energy: 0.4419290565990627
Energy: 0.4447177444073813
Energy: 0.4748346235797872
Energy: 0.4412361918176643
Energy: 0.47861974831503895
Energy: 0.4784486664599725
Energy: 0.45842809901788734
Energy: 0.4352976214744098
Energy: 0.45647168027383156
Energy: 0.4412656317771973
Energy: 0.45002048139944545
Energy: 0.45973343016923496
Energy: 0.44020528480551613
Energy: 0.43929921367774716
Energy: 0.44117554459177466
Energy: 0.43366312346986313
Energy: 0.45017650870135584
Energy: 0.4585446335844558
Energy: 0.45402369228793377
Energy: 0.48428764285333253
Energy: 0.4590978804038863

minimum gb energy = 0.4299081674409996 eV
minimum distance =  2.64492173869669 Angstroms
sigma value = 57


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

Energy: 0.5350922190627813
Energy: 0.6652713891265247
Energy: 0.46316680505848745
Energy: 0.49610291890451685
Energy: 0.6701672009932522
Energy: 0.5208173677744579
Energy: 0.5200069733268263
Energy: 0.46950439559803503
Energy: 0.4600769206043293
Energy: 0.43932086163636824
Energy: 0.47042276006988476
Energy: 0.43432011904523
Energy: 0.6488436897703859
Energy: 0.45212236587883103
Energy: 0.452581176698063
Energy: 0.49156460326098955
Energy: 0.4493372396366547
Energy: 0.4528306035727541
Energy: 0.5197055004139031
Energy: 0.4495224618629895
Energy: 0.44938762595278214
Energy: 0.5255580590955817
Energy: 0.4513893151465866
Energy: 0.43734324503055827
Energy: 0.5273242733726871
Energy: 0.4505009525447079
Energy: 0.4490739046856591
Energy: 0.43501805400513954
Energy: 0.4437566422217916
Energy: 0.4440081642279611
Energy: 0.4596862867377215
Energy: 0.5029515335089334
Energy: 0.5161935485436999
Energy: 0.5289941389329798
Energy: 0.5230265803045183
Energy: 0.5221815699094183
Energy: 0.5272094860071468
Energy: 0.518775100154499
Energy: 0.5152676264310253
Energy: 0.534294200469496
Energy: 0.5239809753254836
Energy: 0.5051095617674185
Energy: 0.48515370418806025
Energy: 0.548342612286274
Energy: 0.5589389975308929
Energy: 0.5169799811368927
Energy: 0.5498824179931449
Energy: 0.5577445734473809
Energy: 0.5318812307855719
Energy: 0.544435996298169
Energy: 0.5318962552094699
Energy: 0.5200492428688163
Energy: 0.5318993758930202
Energy: 0.5172811502176707
Energy: 0.5351186261967183
Energy: 0.48339486273434845
Energy: 0.5126012948700596
Energy: 0.53540189173912
Energy: 0.48042292506554857
Energy: 0.48306062624442014
Energy: 0.5031962422920377
Energy: 0.46610638972904334
Energy: 0.5141181897018279
Energy: 0.5392741491317002
Energy: 0.4663391447349824
Energy: 0.5332472882322266
Energy: 0.4082524785013533
Energy: 0.5215806114665424
Energy: 0.5213199359923902
Energy: 0.4094742740311477
Energy: 0.5233462599670811
Energy: 0.46168417501402864
Energy: 0.4108603659689254
Energy: 0.5221725982180203
Energy: 0.46383161208668194
Energy: 0.44585151562665204
Energy: 0.5213201324908738
Energy: 0.4634444649353856
Energy: 0.5015107338796441
Energy: 0.5307980968629656
Energy: 0.5166890747966458
Energy: 0.538344751059888
Energy: 0.5499113807129077
Energy: 0.5077254085541109
Energy: 0.5333276039612529
Energy: 0.5258592385359399
Energy: 0.5261682025382401
Energy: 0.5659973884254883
Energy: 0.5266649658969907
Energy: 0.5280072902747851
Energy: 0.5276370519143173
Energy: 0.5144880832195657
Energy: 0.5155472324907917
Energy: 0.5278723331562425
Energy: 0.5135310533397426
Energy: 0.5128541858309431
Energy: 0.5384341346258749
Energy: 0.551600237871344
Energy: 0.5548466875546979
Energy: 0.5188788871253788
Energy: 0.5530410769783731
Energy: 0.5541641258804316
Energy: 0.530711224280593
Energy: 0.5169559761191027
Energy: 0.5047903006275557
Energy: 0.5179926539764912
Energy: 0.5243364498760628
Energy: 0.5012763016986421
Energy: 0.5237720143194117
Energy: 0.5189225785701107
Energy: 0.519304662869334
Energy: 0.43502332576736025
Energy: 0.5186820418898767
Energy: 0.5229887112107263
Energy: 0.5238162146029676
Energy: 0.5390853677668986
Energy: 0.49094308342198517
Energy: 0.4389086103084372
Energy: 0.4904619711852594
Energy: 0.5369894061686852
Energy: 0.524022042275581
Energy: 0.4617003892089399
Energy: 0.43887453907915436
Energy: 0.5293771579394391
Energy: 0.46707659928615236
Energy: 0.43859297946380227
Energy: 0.5782270875663302
Energy: 0.5136371474922298
Energy: 0.5156305486369366
Energy: 0.44366668366516904
Energy: 0.5125157973839486
Energy: 0.5152772709621178
Energy: 0.5230837821838867
Energy: 0.4612385399994084
Energy: 0.44863502173216435
Energy: 0.4389087212633458
Energy: 0.46695568390020503
Energy: 0.4345195801844479
Energy: 0.4525541975645423
Energy: 0.45801428101456254
Energy: 0.460739635628992
Energy: 0.4457801914666694
Energy: 0.45759408832572496
Energy: 0.49995282972450333

minimum gb energy = 0.4082524785013533 eV
minimum distance =  2.6306170301569 Angstroms
sigma value = 17


========================================
theta = 93.37228668343388
========================================

Energy: 0.41177454824799287
Energy: 0.47583971657535035
Energy: 0.5098113633458622
Energy: 0.5057877322252459
Energy: 0.4774450429304828
Energy: 0.5063263031427592
Energy: 0.5515186186360725
Energy: 0.49592502814420564
Energy: 0.4651232169155437
Energy: 0.49933688744995447
Energy: 0.4980571831894423
Energy: 0.4638124069109031
Energy: 0.453971700380164
Energy: 0.44485526089947397
Energy: 0.44232662255771454
Energy: 0.48244868036811195
Energy: 0.4322803007782798
Energy: 0.4319820762360002
Energy: 0.4810101786026182
Energy: 0.436552474643604
Energy: 0.4314773251940317
Energy: 0.4818406824024492
Energy: 0.4269802517800863
Energy: 0.4559002666524384
Energy: 0.42801502569617045
Energy: 0.4415574207357562
Energy: 0.44125690292318803
Energy: 0.4287810218495235
Energy: 0.4405273483568013
Energy: 0.4408446570750695
Energy: 0.45120946333401424
Energy: 0.41858864898814413
Energy: 0.4780959805126819
Energy: 0.4505211536125405
Energy: 0.4185647804090408
Energy: 0.4527869564374595
Energy: 0.4252369195601848
Energy: 0.4184379200335128
Energy: 0.4216806889407527
Energy: 0.41938604296650756
Energy: 0.41840241623451774
Energy: 0.42977206518653804
Energy: 0.4344266105542814
Energy: 0.45316271594548707
Energy: 0.45351515897259426
Energy: 0.42549541982470157
Energy: 0.4521612283528964
Energy: 0.4533395212706297
Energy: 0.42209381313030153
Energy: 0.4242675417520191
Energy: 0.43157983955290746
Energy: 0.42278277072150244
Energy: 0.4264947864642539
Energy: 0.4270809267937523
Energy: 0.4232034064573372
Energy: 0.47978422615162747
Energy: 0.4800160012165575
Energy: 0.41853592354349706
Energy: 0.45642071208988727
Energy: 0.43307069405218224
Energy: 0.4292361400941645
Energy: 0.4365629815736392
Energy: 0.43058470396805093
Energy: 0.4562223002525962
Energy: 0.44118816266768196
Energy: 0.4436429980906538
Energy: 0.429115057655785
Energy: 0.4796017104519775
Energy: 0.4579196419237103
Energy: 0.4384468005355695
Energy: 0.48212496036901453
Energy: 0.45585766764386393
Energy: 0.4262418621573124
Energy: 0.5205800390699785
Energy: 0.5183198388069759
Energy: 0.4418017467478385
Energy: 0.5193135163110529
Energy: 0.5181637314965346
Energy: 0.4913075387609883
Energy: 0.49813635442912974
Energy: 0.4689954484431558
Energy: 0.49838168134227584
Energy: 0.5002082676178566
Energy: 0.46857038477272045
Energy: 0.5374237579630944
Energy: 0.5079087976028183
Energy: 0.47756934379120447
Energy: 0.47684337619162886
Energy: 0.5069119504695728
Energy: 0.5073491638004227
Energy: 0.5067842665072133
Energy: 0.4652057576170718
Energy: 0.4646084970692238
Energy: 0.4973402189006234
Energy: 0.5025789376616226
Energy: 0.4670634096292626
Energy: 0.40602229215267766
Energy: 0.5181181324349494
Energy: 0.5260424980372495
Energy: 0.4289086017307916
Energy: 0.5185073932495606
Energy: 0.45064967615214924

minimum gb energy = 0.40602229215267766 eV
minimum distance =  2.68922002091027 Angstroms
sigma value = 17


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

Energy: 0.4088685850232886
Energy: 0.6719549195428872
Energy: 0.5112450068421205
Energy: 0.5059906803609456
Energy: 0.5846959739479356
Energy: 0.5047042524255017
Energy: 0.4624274409638833
Energy: 0.4973375495731893
Energy: 0.42472506478997574
Energy: 0.49957696620933056
Energy: 0.4954033587797361
Energy: 0.4257540500419727
Energy: 0.5982711219595971
Energy: 0.4137157413389757
Energy: 0.4494709201551258
Energy: 0.4948636278522734
Energy: 0.4202216164704081
Energy: 0.4480015994925774
Energy: 0.4978090704246262
Energy: 0.4140413750543586
Energy: 0.4529093312787507
Energy: 0.4979976827165743
Energy: 0.40835665654075765
Energy: 0.4524031238652535
Energy: 0.43365435117739337
Energy: 0.4272217443061583
Energy: 0.4258928229521965
Energy: 0.4342961309440181
Energy: 0.4271966185512109
Energy: 0.43227965549447894
Energy: 0.3943719644006031
Energy: 0.4323287430964293
Energy: 0.44688628016611487
Energy: 0.4146384284876692
Energy: 0.4355546400920228
Energy: 0.44971321558768906
Energy: 0.4079443288278878
Energy: 0.43548616224876335
Energy: 0.404532428582165
Energy: 0.41017365223188007
Energy: 0.43242473960056427
Energy: 0.40409362895390843
Energy: 0.4067678913797233
Energy: 0.42316290820800684
Energy: 0.4325127103623539
Energy: 0.4039844428907307
Energy: 0.3964640428816219
Energy: 0.43090993463445393
Energy: 0.4026499511010475
Energy: 0.39783696098834703
Energy: 0.40971564147996237
Energy: 0.40359434195522403
Energy: 0.4021543393120233
Energy: 0.4080908486227055
Energy: 0.40751460792253347
Energy: 0.4005485640698339
Energy: 0.4001617725745078
Energy: 0.40737087359168905
Energy: 0.4005626128537944
Energy: 0.39971623949609925
Energy: 0.4110418200573249
Energy: 0.425000574717214
Energy: 0.3980440114582305
Energy: 0.3993923931005949
Energy: 0.40402189809471273
Energy: 0.403131095697404
Energy: 0.4024954302896678
Energy: 0.4111382488201546
Energy: 0.4191630995055874
Energy: 0.41577682575800057
Energy: 0.40326882333817393
Energy: 0.4045385124279205
Energy: 0.4065444149889707
Energy: 0.43053781022480364
Energy: 0.43083363599529895
Energy: 0.4168992979169304
Energy: 0.432622147125621
Energy: 0.4316629853606729
Energy: 0.43025270154150513
Energy: 0.41064296198379735
Energy: 0.41149175109649294
Energy: 0.43133803296624734
Energy: 0.4044256152205924
Energy: 0.40416152197038996
Energy: 0.43845427813060134
Energy: 0.4319057075718434
Energy: 0.4369593491041712
Energy: 0.4360404611396158
Energy: 0.4187427154525396
Energy: 0.4780796136492161
Energy: 0.5002168689204649
Energy: 0.4146192347129401
Energy: 0.4310597832068722
Energy: 0.4320911794930474
Energy: 0.44158687861352774
Energy: 0.4314604240213121
Energy: 0.4026336827176449
Energy: 0.5003319878495635
Energy: 0.4376551250202976
Energy: 0.4178865982155216
Energy: 0.49773505507184224
Energy: 0.43524475148842184
Energy: 0.4013134695126331
Energy: 0.4703729193727334
Energy: 0.47429863258634636
Energy: 0.4473409455180044
Energy: 0.4957395596195757
Energy: 0.4334009704701055
Energy: 0.4918078544715729
Energy: 0.4570168884681494
Energy: 0.4262314678649167
Energy: 0.49644176199474893
Energy: 0.44848451065414613
Energy: 0.426168282737942
Energy: 0.6189614451102667
Energy: 0.4488583421220896
Energy: 0.4477055577519765
Energy: 0.4817399617830521
Energy: 0.4483557206222277
Energy: 0.5067696977346378
Energy: 0.5405723338861056
Energy: 0.4940537585946878
Energy: 0.4553831714977828
Energy: 0.501437686384575
Energy: 0.5053407832971585
Energy: 0.4553418495733031
Energy: 0.40932152302733804
Energy: 0.48417575669313423
Energy: 0.4803114775868081
Energy: 0.41418784613559767
Energy: 0.4954444639814904
Energy: 0.4539711323215848
Energy: 0.40979811288552076
Energy: 0.4959770244571037
Energy: 0.4302613287000041
Energy: 0.4215661999661901
Energy: 0.49664381816010617
Energy: 0.46471610065299246
Energy: 0.5979216003178687
Energy: 0.4202259394697775
Energy: 0.465699970979763
Energy: 0.5007163332213227
Energy: 0.42205432317647723
Energy: 0.49464164213530387
Energy: 0.5024628008323643
Energy: 0.41662932080223614
Energy: 0.4560765134865892
Energy: 0.5034067501931998
Energy: 0.42911327629410784
Energy: 0.4521841288432641
Energy: 0.434323800257501
Energy: 0.43641607147379974
Energy: 0.430897970723826
Energy: 0.4350709583234399
Energy: 0.43663039095535044
Energy: 0.414224846639251
Energy: 0.3936011427619069
Energy: 0.43133374939104413
Energy: 0.431448234214578
Energy: 0.4056780067992268
Energy: 0.4436083073751728
Energy: 0.4110709935420521
Energy: 0.3948536528268288
Energy: 0.435784818161717
Energy: 0.43046657509954095
Energy: 0.428503980927697
Energy: 0.4324232659619227
Energy: 0.42253274050695805
Energy: 0.42973981981776294
Energy: 0.40138024742612305
Energy: 0.4029625478525771
Energy: 0.40508236346913207
Energy: 0.4563519616012196
Energy: 0.4032307178801792
Energy: 0.40408883197989254
Energy: 0.3973106356606838
Energy: 0.4010246780624938
Energy: 0.4049717894324179
Energy: 0.3962318172385969
Energy: 0.40624998562670467
Energy: 0.40175389767076186
Energy: 0.39882719925117116
Energy: 0.40235501758516606
Energy: 0.40249180685649966
Energy: 0.3977601973687044
Energy: 0.40245606797052297
Energy: 0.4130882342708082
Energy: 0.4134135362481712
Energy: 0.4217377784737155
Energy: 0.4212313842670553
Energy: 0.4118551106691735
Energy: 0.42127722956220603
Energy: 0.40395395284889046
Energy: 0.4058346556953372
Energy: 0.40150065200969925
Energy: 0.4134474829823407
Energy: 0.4022638733964714
Energy: 0.40227842440901124
Energy: 0.40204127622720365
Energy: 0.4352464006709187
Energy: 0.4346899260157565
Energy: 0.4342092608488349
Energy: 0.400208562046322
Energy: 0.43635815106409204
Energy: 0.4328000936159218
Energy: 0.4094107199834554
Energy: 0.4044791129521223
Energy: 0.43359044642169187
Energy: 0.4066601878193238
Energy: 0.3999415504081618
Energy: 0.4318126772107636
Energy: 0.4040486879318251
Energy: 0.4269013816082236
Energy: 0.4326429166195264
Energy: 0.40553155245720507
Energy: 0.4320342583299574
Energy: 0.5605767173152778
Energy: 0.41556549779956825
Energy: 0.42713524272336945
Energy: 0.43643142668385687
Energy: 0.4127216857275344
Energy: 0.42756385839988104
Energy: 0.402471463491294
Energy: 0.5034893033626394
Energy: 0.4310512006092233
Energy: 0.44380688002273583
Energy: 0.501541410014776
Energy: 0.4171297532429532
Energy: 0.4010884986534038
Energy: 0.4864013070685805
Energy: 0.47689524032028896
Energy: 0.4387170476870936
Energy: 0.4854375828960059
Energy: 0.4548305759445909
Energy: 0.4365559603100818
Energy: 0.5014306627993541
Energy: 0.4561356306211975
Energy: 0.4413447899633789
Energy: 0.4988359219180393
Energy: 0.4612677779238518
Energy: 0.4442496962007684
Energy: 0.460298578940617
Energy: 0.48826450672483973
Energy: 0.5017910072615059
Energy: 0.43639457955130084
Energy: 0.49335295329971535
Energy: 0.5942749891538781
Energy: 0.4481547543978726
Energy: 0.4329086750334605
Energy: 0.49719456793256656
Energy: 0.4445180266882355
Energy: 0.4952443579198985
Energy: 0.40987020675688324
Energy: 0.4699574424126248
Energy: 0.4735358658593602
Energy: 0.41682913477682104
Energy: 0.49478268777919143
Energy: 0.4786064213058619

minimum gb energy = 0.3936011427619069 eV
minimum distance =  2.67499078246102 Angstroms
sigma value = 57


========================================
theta = 99.36891557845482
========================================

Energy: 0.3812323961664862
Energy: 0.588825844345695
Energy: 0.503369440893875
Energy: 0.41959929262141005
Energy: 0.6039072184559865
Energy: 0.5056381988459054
Energy: 0.461913432922273
Energy: 0.41060617495056373
Energy: 0.4123176210318895
Energy: 0.49339366018280995
Energy: 0.4098406355972635
Energy: 0.41458792304850656
Energy: 0.5681930733203104
Energy: 0.39346323613536216
Energy: 0.40492227059778596
Energy: 0.4674688029487276
Energy: 0.40777346632279526
Energy: 0.4321510736534905
Energy: 0.5041703695614751
Energy: 0.40156519322323186
Energy: 0.43269421631803906
Energy: 0.4426032693235894
Energy: 0.3994083586196039
Energy: 0.43258524007520577
Energy: 0.42297531567269
Energy: 0.41284629515415205
Energy: 0.41184589237023583
Energy: 0.42361865468705107
Energy: 0.4134305773777005
Energy: 0.41195912010764385
Energy: 0.37190990219916564
Energy: 0.4093464394924114
Energy: 0.442560962858534
Energy: 0.38388831899604164
Energy: 0.41242255024528013
Energy: 0.4470588604181549
Energy: 0.40458242260943345
Energy: 0.4333985193336317
Energy: 0.3867520286998288
Energy: 0.3909721192925964
Energy: 0.4310953442216156
Energy: 0.38543003093861
Energy: 0.5090150285438625
Energy: 0.38175526481089556
Energy: 0.37939375463727165
Energy: 0.38893020940440265
Energy: 0.378340343062567
Energy: 0.38506993062023837
Energy: 0.39373613928227397
Energy: 0.384052029352761
Energy: 0.385851200461589
Energy: 0.3944217172201282
Energy: 0.3789949128602735
Energy: 0.404746325127337
Energy: 0.4015279981302118
Energy: 0.3751709469521893
Energy: 0.3749692367945971
Energy: 0.40159093523608325
Energy: 0.3753259013999565
Energy: 0.37512698861698723
Energy: 0.3794117167700496
Energy: 0.3992565669088846
Energy: 0.3818929045486172
Energy: 0.38606849578574237
Energy: 0.39775482198136897
Energy: 0.3807808937439118
Energy: 0.38316243995755694
Energy: 0.38168028723981573
Energy: 0.3958633492724432
Energy: 0.3750520819774467
Energy: 0.37954275583888775
Energy: 0.3731957062671591
Energy: 0.393201653708363
Energy: 0.3988031216149768
Energy: 0.3960240485954378
Energy: 0.37751987804715625
Energy: 0.3755988666516158
Energy: 0.39602068877919533
Energy: 0.3763553869752405
Energy: 0.37441919219541697
Energy: 0.37446742197410204
Energy: 0.37742951740865877
Energy: 0.38978497431346404
Energy: 0.39719671293544023
Energy: 0.38853272802425803
Energy: 0.3871310104461008
Energy: 0.3859302768400811
Energy: 0.40192488676998656
Energy: 0.3879297637639859
Energy: 0.40475685487859914
Energy: 0.40155536838559375
Energy: 0.4144125283345736
Energy: 0.37287525844917246
Energy: 0.37557680934922516
Energy: 0.39967331219553043
Energy: 0.3746702453281213
Energy: 0.3773656991297675
Energy: 0.40514654229407315
Energy: 0.3948342944777125
Energy: 0.37903027661771915
Energy: 0.39760888694156016
Energy: 0.3892290780287734
Energy: 0.3778186576118302
Energy: 0.4009791040533688
Energy: 0.3908179767676779
Energy: 0.40087624089567936
Energy: 0.3884986155666005
Energy: 0.3890263290912326
Energy: 0.42924566684597576
Energy: 0.4005377150334411
Energy: 0.3853212962206304
Energy: 0.4292037446559262
Energy: 0.39985498899515626
Energy: 0.4194260071420569
Energy: 0.44424199978324536
Energy: 0.434588817107012
Energy: 0.4311437673776281
Energy: 0.46862162446226074
Energy: 0.4012458306455144
Energy: 0.4744001089780058
Energy: 0.537121931064263
Energy: 0.4165418097868387
Energy: 0.41039422213321314
Energy: 0.41560251716450025
Energy: 0.43390475974712456
Energy: 0.413916472074549
Energy: 0.3762669385282433
Energy: 0.4401941436181579
Energy: 0.4173034182725551
Energy: 0.4018009401303076
Energy: 0.4759878484597065
Energy: 0.41752094538254414
Energy: 0.39541930553835053
Energy: 0.45941480724824807
Energy: 0.4509985292735643
Energy: 0.397692898359038
Energy: 0.4564820972253362
Energy: 0.44654441107765414
Energy: 0.5425901506840649
Energy: 0.445193565231052
Energy: 0.4193007996567235
Energy: 0.42343440682333533
Energy: 0.435557220005909
Energy: 0.4132658839007804
Energy: 0.5738650791961035
Energy: 0.42745664374639536
Energy: 0.427444683011281
Energy: 0.4604800884153226
Energy: 0.42785892798954644
Energy: 0.4733411994863725
Energy: 0.4666976582776083
Energy: 0.44896034971273885
Energy: 0.43284668778725494
Energy: 0.45340667458479555
Energy: 0.45326458556153837
Energy: 0.4316579696077766
Energy: 0.38025692892599744
Energy: 0.45595994690715136
Energy: 0.4444889970702982
Energy: 0.4055272820887848
Energy: 0.4552308344006345
Energy: 0.448303181137956

minimum gb energy = 0.37190990219916564 eV
minimum distance =  2.67663604002169 Angstroms
sigma value = 43


========================================
theta = 102.11511746203722
========================================

Energy: 0.33444544379623864
Energy: 0.4670803922630761
Energy: 0.3893241209404122
Energy: 0.38279532091419466
Energy: 0.49639821718184396
Energy: 0.36956008066871715
Energy: 0.46041977110162474
Energy: 0.3615504717694814
Energy: 0.3592456354229169
Energy: 0.38601342405846106
Energy: 0.36117190861584436
Energy: 0.3572139093494641
Energy: 0.4916885141506683
Energy: 0.34482371994615063
Energy: 0.352646586621091
Energy: 0.3925942858423566
Energy: 0.3466075620649562
Energy: 0.3595399434506691
Energy: 0.4357310534296235
Energy: 0.35769244495498986
Energy: 0.3526614594245521
Energy: 0.3662481300374525
Energy: 0.34798354063595205
Energy: 0.3753496020939254
Energy: 0.34109637406544513
Energy: 0.3581830791888762
Energy: 0.35854962602251567
Energy: 0.3412770463097
Energy: 0.35785159730704275
Energy: 0.35790249864536633
Energy: 0.32238083473096196
Energy: 0.3562523622519095
Energy: 0.36343439148158846
Energy: 0.34236988455871986
Energy: 0.3568007525249418
Energy: 0.38181468782671757
Energy: 0.4506900321953657
Energy: 0.38478989946017056
Energy: 0.3682325140542818
Energy: 0.33705673109453027
Energy: 0.3902760937083106
Energy: 0.3359831535013963
Energy: 0.4488068150988213
Energy: 0.327689142420645
Energy: 0.3352133021082325
Energy: 0.3360874121969585
Energy: 0.3256317927877511
Energy: 0.33491718805414006
Energy: 0.35626786086266676
Energy: 0.3381225099003673
Energy: 0.33701852884933936
Energy: 0.35720351062125894
Energy: 0.3340299043919239
Energy: 0.3436750752078799
Energy: 0.344069988586696
Energy: 0.32735621390642994
Energy: 0.3273368162947055
Energy: 0.34654242222108234
Energy: 0.32742821113272785
Energy: 0.32458720187521184
Energy: 0.3187728222333637
Energy: 0.3249413507100394
Energy: 0.3254305937607028
Energy: 0.324054140721832
Energy: 0.33553029102325926
Energy: 0.3234005005144114
Energy: 0.3570913022992484
Energy: 0.33465776255870755
Energy: 0.3630083596777932
Energy: 0.347332124888914
Energy: 0.3400052474003737
Energy: 0.319748886436566
Energy: 0.35478976600573203
Energy: 0.32000314758485304
Energy: 0.32042782862249747
Energy: 0.3279667495199409
Energy: 0.32027569367380804
Energy: 0.3199217961542916
Energy: 0.3247424004758842
Energy: 0.3313542224439815
Energy: 0.3304093953040788
Energy: 0.3254777884589701
Energy: 0.3196242995975955
Energy: 0.3274699531340955
Energy: 0.3442704524480815
Energy: 0.3212695642266587
Energy: 0.320769866199334
Energy: 0.3247064542777385
Energy: 0.32089455686465973
Energy: 0.3206638989986533
Energy: 0.3208795856958323
Energy: 0.34234381109344064
Energy: 0.3170336184758051
Energy: 0.32911361450702425
Energy: 0.3191869409201503
Energy: 0.3184105307392983
Energy: 0.32673639330428933
Energy: 0.3211445471021856
Energy: 0.31797880515824656
Energy: 0.3295666127923299
Energy: 0.3193719129534642
Energy: 0.3182309023417125
Energy: 0.3196611891403864
Energy: 0.32321083155922103
Energy: 0.3406586920419835
Energy: 0.33502480656810074
Energy: 0.31793909310271545
Energy: 0.34016965367595275
Energy: 0.31949219616878194
Energy: 0.3291224406187099
Energy: 0.3242463380950677
Energy: 0.3204689452982359
Energy: 0.34317596751541984
Energy: 0.32479757856859437
Energy: 0.31958563720673683
Energy: 0.32866348006825397
Energy: 0.3470657982324138
Energy: 0.31734556720672236
Energy: 0.31962942706600134
Energy: 0.3456138623858327
Energy: 0.3376025245051037
Energy: 0.32496585076486123
Energy: 0.35104290775113783
Energy: 0.3412677961728673
Energy: 0.32418529147877895
Energy: 0.31931518638328293
Energy: 0.3209043871833174
Energy: 0.31815327545400107
Energy: 0.3193432966673319
Energy: 0.31846844981818667
Energy: 0.3241781868350328
Energy: 0.3207808883716248
Energy: 0.3327902036063146
Energy: 0.3223645586952755
Energy: 0.32245106735724466
Energy: 0.3330814775195012
Energy: 0.32306049552929433
Energy: 0.32116618968047334
Energy: 0.33556662427414163
Energy: 0.3383292715644856
Energy: 0.338535610181659
Energy: 0.3366290675124873
Energy: 0.32282593415709293
Energy: 0.33820731411967864
Energy: 0.43315913951771956
Energy: 0.3241120131844607
Energy: 0.3263341056794989
Energy: 0.32442386528487704
Energy: 0.3237173963074982
Energy: 0.32606609471781983
Energy: 0.4040725939933028
Energy: 0.35289906126665943
Energy: 0.3244890676672646
Energy: 0.32601525363166567
Energy: 0.3594700967128239
Energy: 0.3242952174764131
Energy: 0.32079843369427147
Energy: 0.3363952482771172
Energy: 0.33655285282627456
Energy: 0.340371294007956
Energy: 0.3535013407520076
Energy: 0.32917219074173487
Energy: 0.3350704640739056
Energy: 0.33824075690572414
Energy: 0.33655893790008834
Energy: 0.33535574884662456
Energy: 0.33833401915502037
Energy: 0.33622019976607337
Energy: 0.389939594159862
Energy: 0.34749177543869814
Energy: 0.34010160909136894
Energy: 0.3908843895972324
Energy: 0.3391525879724831
Energy: 0.3592668811852912
Energy: 0.46977814734762663
Energy: 0.33459732677520004
Energy: 0.34675351920163494
Energy: 0.35663566890830967
Energy: 0.33468843693457906
Energy: 0.347029467723402
Energy: 0.4675124902361765
Energy: 0.37691794374802123
Energy: 0.365387956772689
Energy: 0.36132381110521866
Energy: 0.365965261807089
Energy: 0.3529716854548709
Energy: 0.3277262609381523
Energy: 0.3858515791546178
Energy: 0.37370339581559453
Energy: 0.34155569356612436
Energy: 0.3943664859280346
Energy: 0.3949262641325458
Energy: 0.3534557419684488
Energy: 0.3862327380753625
Energy: 0.3855121557979169
Energy: 0.35892745688150807
Energy: 0.38595077098601327
Energy: 0.36123244517080483
Energy: 0.4690533302213659
Energy: 0.38064855192140845
Energy: 0.3787484661763018
Energy: 0.36170577851086794
Energy: 0.36223079644601824
Energy: 0.3974023829514781
Energy: 0.49178871967054266
Energy: 0.36046157009794566
Energy: 0.3767729628642431
Energy: 0.39255348786086686
Energy: 0.36392141620038015
Energy: 0.37286781665662533
Energy: 0.45201383703531184
Energy: 0.38566518331156446
Energy: 0.3849897596674439
Energy: 0.38414709170714284
Energy: 0.3850986038169671
Energy: 0.3844588700822717

minimum gb energy = 0.3170336184758051 eV
minimum distance =  2.67934635834942 Angstroms
sigma value = 81


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

Energy: 0.033745937097569345
Energy: 0.09875592757113555
Energy: 0.09457887349620316
Energy: 0.03530902599375869
Energy: 0.03650568511131569
Energy: 0.0352204178521202
Energy: 0.05607250603869622
Energy: 0.03455758369348683
Energy: 0.03460431724749426
Energy: 0.056260379019651925
Energy: 0.037977641512850824
Energy: 0.0349684448866972
Energy: 0.06678027531692514
Energy: 0.03469728207233406
Energy: 0.06453655186944517
Energy: 0.0815997789771519
Energy: 0.03418572729173964
Energy: 0.07100079287307295
Energy: 0.03701746264423693
Energy: 0.06541344182986741
Energy: 0.034986148142367085
Energy: 0.037218363724819674
Energy: 0.03435448508851167
Energy: 0.06928144737121288
Energy: 0.07127469865195357
Energy: 0.08131952272434075
Energy: 0.080228347632322
Energy: 0.07024229751416051
Energy: 0.05655655208719015
Energy: 0.07867258112880954
Energy: 0.034747439507002195
Energy: 0.06746752605678796
Energy: 0.09485268442623478
Energy: 0.035905576290227226
Energy: 0.035235350516036545
Energy: 0.03620660541582615
Energy: 0.07163579136953593
Energy: 0.03468278317597996
Energy: 0.03469531434712238
Energy: 0.08053280299097378
Energy: 0.03761083855307751
Energy: 0.03478266847498768
Energy: 0.0704702266474418
Energy: 0.034287358441300896
Energy: 0.06504724977084116
Energy: 0.0807425058425038
Energy: 0.034193105856132326
Energy: 0.06978419012208119
Energy: 0.035305410699034166
Energy: 0.09354509647430936
Energy: 0.0961636787781499
Energy: 0.037334844276148436
Energy: 0.035386922865358696
Energy: 0.0978240282187899
Energy: 0.03442751421565112
Energy: 0.08189296595508935
Energy: 0.08093695087075752
Energy: 0.03509835507613428
Energy: 0.08001680156698132
Energy: 0.08062652129345925

minimum gb energy = 0.033745937097569345 eV
minimum distance =  2.79190059945103 Angstroms
sigma value = 3


========================================
theta = 117.56060310526321
========================================

Energy: 0.41888267295244186
Energy: 0.38296940492507503
Energy: 0.3971638150102068
Energy: 0.36003556966032746
Energy: 0.3824202945166246
Energy: 0.360522351797509
Energy: 0.4088000439881587
Energy: 0.3784913977612945
Energy: 0.3775378747780192
Energy: 0.37927667194702086
Energy: 0.37682336601180755
Energy: 0.34407541370058664
Energy: 0.40760028154553957
Energy: 0.3363931296529772
Energy: 0.39414794762994115
Energy: 0.395091420211621
Energy: 0.37278889333193194
Energy: 0.3692153851354857
Energy: 0.38085045338428763
Energy: 0.3464611369029986
Energy: 0.38853919320372576
Energy: 0.38050029855999995
Energy: 0.3339191689308742
Energy: 0.4085862228717117
Energy: 0.3400799617742154
Energy: 0.37789786455269736
Energy: 0.38434236489974205
Energy: 0.34025763911554335
Energy: 0.409841729360472
Energy: 0.38500450292706107
Energy: 0.3130155099771417
Energy: 0.34740278882551656
Energy: 0.3407811681846048
Energy: 0.3160389063888545
Energy: 0.34532552737972666
Energy: 0.34953369825969854
Energy: 0.37785572989525085
Energy: 0.34691390204121764
Energy: 0.3464559579526133
Energy: 0.37797826494353676
Energy: 0.3508696699225459
Energy: 0.38330802045740425
Energy: 0.3772873855259099
Energy: 0.3179619409003872
Energy: 0.31934220219812054
Energy: 0.3773964011296138
Energy: 0.2993545695088362
Energy: 0.35889600580219944
Energy: 0.3609250056884117
Energy: 0.3757363360860054
Energy: 0.3562853377070432
Energy: 0.3604749735806705
Energy: 0.316922573145998
Energy: 0.40208268743764186
Energy: 0.32065114001932166
Energy: 0.3472515127790129
Energy: 0.3474274188582103
Energy: 0.32087021186417675
Energy: 0.35156165281034063
Energy: 0.3473669351026505
Energy: 0.3014733104883855
Energy: 0.30427586783795485
Energy: 0.33247613824322275
Energy: 0.30457052918808664
Energy: 0.30470960926130586
Energy: 0.32792249218371117
Energy: 0.32242523839749515
Energy: 0.32008205515833854
Energy: 0.3841628579615158
Energy: 0.32206323094132744
Energy: 0.304159774058387
Energy: 0.3218806941397944
Energy: 0.32153444708734386
Energy: 0.2939039012609122
Energy: 0.3040108589541771
Energy: 0.32153397244224136
Energy: 0.2971421063254098
Energy: 0.3223335250191881
Energy: 0.29391012493012325
Energy: 0.30432678870406077
Energy: 0.37462583484632833
Energy: 0.32424862011705285
Energy: 0.30293982435419925
Energy: 0.3773801926662694
Energy: 0.29520259741586496
Energy: 0.3034931910297478
Energy: 0.3029697065128038
Energy: 0.29549396270086287
Energy: 0.30657662340865877
Energy: 0.30439809335494933
Energy: 0.33620750685269296
Energy: 0.30446145772442407
Energy: 0.36325248794927034
Energy: 0.2977476683285158
Energy: 0.3701977557275978
Energy: 0.29477464137955983
Energy: 0.2990176119527933
Energy: 0.30397166075144255
Energy: 0.35272834508064665
Energy: 0.2997497756545641
Energy: 0.3350072444599383
Energy: 0.2949951710567851
Energy: 0.29388144882590267
Energy: 0.2958381812073603
Energy: 0.29613323789319657
Energy: 0.2939603281637433
Energy: 0.2948261764252773
Energy: 0.29545033409420607
Energy: 0.30339078998098673
Energy: 0.29435951637603736
Energy: 0.36511619481329693
Energy: 0.33335302056364857
Energy: 0.2942202491136886
Energy: 0.368272222288879
Energy: 0.29503549233289594
Energy: 0.29426325105768714
Energy: 0.2940277293388285
Energy: 0.3721751007925939
Energy: 0.2982285022547633
Energy: 0.2950229163190677
Energy: 0.29507977517253065
Energy: 0.29485199814280516
Energy: 0.2943729953965296
Energy: 0.37074865559601444
Energy: 0.3771460683833561
Energy: 0.36097025375410835
Energy: 0.3080159333478778
Energy: 0.29524653739853346
Energy: 0.30424810227230575
Energy: 0.3083330872057371
Energy: 0.3266009657487266
Energy: 0.3040073431131382
Energy: 0.30293902294397945
Energy: 0.3764017368651016
Energy: 0.36689782441319246
Energy: 0.30303973452648914
Energy: 0.37829413810349677
Energy: 0.36701096585439147
Energy: 0.3809102982138163
Energy: 0.32165262409282763
Energy: 0.3222485365723017
Energy: 0.3765034776009612
Energy: 0.3218122747729615
Energy: 0.38389174585304614
Energy: 0.3037196414011565
Energy: 0.3214017245833138
Energy: 0.32138687514208014
Energy: 0.3045437755623017
Energy: 0.3261531706347002
Energy: 0.3222530187338178
Energy: 0.3039467669718849
Energy: 0.3092214958754629
Energy: 0.3113653576826745
Energy: 0.3048883826951373
Energy: 0.29575509666449545
Energy: 0.3600094640819038
Energy: 0.35128513381761417
Energy: 0.3316746454480574
Energy: 0.353360618479355
Energy: 0.3516774316092388
Energy: 0.3104014432098241
Energy: 0.3470125510289778
Energy: 0.32937478558444416
Energy: 0.36833950925665326
Energy: 0.3637024364669774
Energy: 0.3293398064865209
Energy: 0.3680784392138834
Energy: 0.3585613929765752
Energy: 0.3060887549763197
Energy: 0.37575035796473266
Energy: 0.36966796133018814
Energy: 0.3101514068391407
Energy: 0.3760264553549168
Energy: 0.3418562815197594
Energy: 0.3514898040831261
Energy: 0.37523454198975476
Energy: 0.383561347507373
Energy: 0.3462802002730069
Energy: 0.3786631260464116
Energy: 0.38654714175480814
Energy: 0.3421743793583934
Energy: 0.3259296286532848
Energy: 0.3272714226672339
Energy: 0.34238810489501814
Energy: 0.3046219857466812
Energy: 0.36780591024255405
Energy: 0.4303696016787749
Energy: 0.36311866016597594
Energy: 0.3663076551390559
Energy: 0.38936790279377925
Energy: 0.32496296359023175
Energy: 0.3830984338010372
Energy: 0.350036235677498
Energy: 0.3776928962126558
Energy: 0.3753725578004396
Energy: 0.3498590636412067
Energy: 0.3785799924638558
Energy: 0.3582786976038195

minimum gb energy = 0.29388144882590267 eV
minimum distance =  2.6466509196093 Angstroms
sigma value = 67


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

Energy: 0.43182026072470714
Energy: 0.5191592779407015
Energy: 0.5125061247724019
Energy: 0.42287232790713836
Energy: 0.5178047350340466
Energy: 0.4746824239564675
Energy: 0.49468350223375485
Energy: 0.48610457997115547
Energy: 0.49094171415433846
Energy: 0.4869830651944355
Energy: 0.43928675612773893
Energy: 0.4420634602384977
Energy: 0.5019788755960345
Energy: 0.42893944396891776
Energy: 0.422280448870533
Energy: 0.44206248942190296
Energy: 0.447449814153364
Energy: 0.4485601780261373
Energy: 0.44335277981651516
Energy: 0.39936229924450445
Energy: 0.4629238508626144
Energy: 0.4436657785764369
Energy: 0.39477169192241923
Energy: 0.47901937177676573
Energy: 0.4495705432235365
Energy: 0.4809908136864117
Energy: 0.47679504328374145
Energy: 0.39826715568992876
Energy: 0.4413456368171952
Energy: 0.4958566967993053
Energy: 0.4246155604540203
Energy: 0.39661756394570774
Energy: 0.4476737884076619
Energy: 0.3972934051529485
Energy: 0.39820026510667467
Energy: 0.44786899832481597
Energy: 0.44321241337861056
Energy: 0.40140776786795895
Energy: 0.4047299837203011
Energy: 0.44576817243919054
Energy: 0.4002011306075
Energy: 0.3984056525480843
Energy: 0.44573658494348467
Energy: 0.3764654950264698
Energy: 0.3876238562694583
Energy: 0.44688601840875375
Energy: 0.37357803879778245
Energy: 0.438542447404162
Energy: 0.42517449881750896
Energy: 0.4179849763341791
Energy: 0.4752861526081667
Energy: 0.4249194839913894
Energy: 0.3955960134894061
Energy: 0.4728282053789665
Energy: 0.37267097250824127
Energy: 0.40020487629449436
Energy: 0.40265825022712204
Energy: 0.3726744228198853
Energy: 0.39743716241936494
Energy: 0.3957803602204966
Energy: 0.37378180723606275
Energy: 0.4511329897404915
Energy: 0.45058212298063194
Energy: 0.373700872610234
Energy: 0.39237595019532345
Energy: 0.38075040487669387
Energy: 0.3769904866282894
Energy: 0.43723404607547756
Energy: 0.37252743239004094
Energy: 0.37770907107777735
Energy: 0.3773998326056629
Energy: 0.3718057088470376
Energy: 0.3787776114295016
Energy: 0.37908303123195547
Energy: 0.37213935803862147
Energy: 0.37844720717119673
Energy: 0.3744038073298523
Energy: 0.3723250042118321
Energy: 0.39322493001242614
Energy: 0.4410981340520276
Energy: 0.4404087668399187
Energy: 0.37374465168205817
Energy: 0.37320158817771576
Energy: 0.4407115600359113
Energy: 0.37495601300228937
Energy: 0.37663250977506607
Energy: 0.3797769035224132
Energy: 0.41385556765419973
Energy: 0.3737528357724522
Energy: 0.37162757899655235
Energy: 0.3736409714797754
Energy: 0.4460203124203807
Energy: 0.4483315187615477
Energy: 0.3788203094860622
Energy: 0.3737697199039943
Energy: 0.44687706380105163
Energy: 0.39957143882440005
Energy: 0.371113809055204
Energy: 0.38328019240470257
Energy: 0.40028549112030365
Energy: 0.3681197916902288
Energy: 0.39546926593681025
Energy: 0.4038988010406256
Energy: 0.4170414020124677
Energy: 0.4169743207661286
Energy: 0.4038055877858759
Energy: 0.4182570508949442
Energy: 0.395751184831327
Energy: 0.40863421399748395
Energy: 0.4168260914357783
Energy: 0.47641940154593604
Energy: 0.3796778263308575
Energy: 0.41618584531766323
Energy: 0.42368914944018277
Energy: 0.39657045608573016
Energy: 0.4419325807699917
Energy: 0.45177806070663823
Energy: 0.39672006268640636
Energy: 0.4422547444692154
Energy: 0.45544554904690954
Energy: 0.40174617270893176
Energy: 0.41836031144911695
Energy: 0.4133280364074401
Energy: 0.402005630953768
Energy: 0.3778495274032382
Energy: 0.3818004611451253
Energy: 0.5027455292092445
Energy: 0.38243825729149494
Energy: 0.41995381945254534
Energy: 0.44085082843171924
Energy: 0.3799005092542187
Energy: 0.4214871453204725
Energy: 0.47316293693812933
Energy: 0.4466963728206437
Energy: 0.45108884061125043
Energy: 0.4743291384448724
Energy: 0.44488039997221707
Energy: 0.44321783056888525

minimum gb energy = 0.3681197916902288 eV
minimum distance =  2.64035349992037 Angstroms
sigma value = 33


========================================
theta = 124.12329454079527
========================================

Energy: 0.5003793554407988
Energy: 0.6357120098958602
Energy: 0.4873291798221002
Energy: 0.512133607095357
Energy: 0.4687162072240831
Energy: 0.5239769812140472
Energy: 0.5334233996119688
Energy: 0.4733634693765767
Energy: 0.47186412987381227
Energy: 0.47649955083361356
Energy: 0.47582492752579403
Energy: 0.4796886678499422
Energy: 0.5517176310014106
Energy: 0.4291258361402834
Energy: 0.4272791771006481
Energy: 0.4727287076425603
Energy: 0.4744900057286635
Energy: 0.4718517853882912
Energy: 0.4704340558075319
Energy: 0.48125598493481275
Energy: 0.4749250234399428
Energy: 0.4712733489513098
Energy: 0.47532416608194916
Energy: 0.4971527819180099
Energy: 0.4766353994883426
Energy: 0.47570471768317635
Energy: 0.47281951726579335
Energy: 0.4757530620628056
Energy: 0.47655913186601306
Energy: 0.42871391671004
Energy: 0.42177279028416576
Energy: 0.42306409790749366
Energy: 0.42268292447630723
Energy: 0.42426378406874404
Energy: 0.42262634230366575
Energy: 0.503217839262622
Energy: 0.4731007314618777
Energy: 0.4777051181216192
Energy: 0.45198973135641907
Energy: 0.472791961712753
Energy: 0.4247067647672187
Energy: 0.42672268561113086
Energy: 0.4770301137917118
Energy: 0.422902309328751
Energy: 0.4463552122686412
Energy: 0.474537047196786
Energy: 0.42469148399495044
Energy: 0.4472039821158408
Energy: 0.4218884071610211
Energy: 0.467789172839679
Energy: 0.46910121372209623
Energy: 0.45970938149845264
Energy: 0.423932468407656
Energy: 0.5028176203099675
Energy: 0.42199206681857165
Energy: 0.4270787546059936
Energy: 0.4224256699205301
Energy: 0.45695753959824453
Energy: 0.4241767387487409
Energy: 0.4222063487821231
Energy: 0.44936851491175983
Energy: 0.485096137399573
Energy: 0.48849713547316714
Energy: 0.43982741789431634
Energy: 0.4223190295624136
Energy: 0.4876362228056181
Energy: 0.42221001267153624
Energy: 0.42189716694591234
Energy: 0.42195697596096576
Energy: 0.42220338634580656
Energy: 0.4138968679835722
Energy: 0.42176380362651067
Energy: 0.428593947750212
Energy: 0.42813200060994
Energy: 0.4226117767707619
Energy: 0.42199642937515297
Energy: 0.44716837047931
Energy: 0.42385875939982903
Energy: 0.4101892899706856
Energy: 0.44937190376283476
Energy: 0.44747223918561735
Energy: 0.41104894046745494
Energy: 0.44937975999005175
Energy: 0.43410121637542287
Energy: 0.4094266834776385
Energy: 0.47629974981597767
Energy: 0.47177129588001404
Energy: 0.40885789235988
Energy: 0.47351389590854115
Energy: 0.44690064931191387
Energy: 0.42884692061185853
Energy: 0.4787087176402477
Energy: 0.4804911214862621
Energy: 0.42897083790553003
Energy: 0.43381973224101
Energy: 0.48220696880235936
Energy: 0.5477457940461941
Energy: 0.43909384596567796
Energy: 0.4331380032000543
Energy: 0.549734698273327
Energy: 0.4360178154331737
Energy: 0.4364926133612075
Energy: 0.531951909834297
Energy: 0.47501826431290756
Energy: 0.47208329190815157
Energy: 0.4760637991297928
Energy: 0.47566613766700777
Energy: 0.5275561094055807
Energy: 0.43260791726531195
Energy: 0.48207425876195714
Energy: 0.5232180358491252
Energy: 0.4380595730070245
Energy: 0.48209731547562185
Energy: 0.517462701031997
Energy: 0.51185931876921
Energy: 0.47535226892659654
Energy: 0.4736725418993676
Energy: 0.46144437478677824
Energy: 0.47643261784688046
Energy: 0.4757251491119168
Energy: 0.5477632883314385
Energy: 0.481519219586717
Energy: 0.47598547385445644
Energy: 0.47239687166150784
Energy: 0.44824562731253703
Energy: 0.45168124517153807
Energy: 0.4699001528908123
Energy: 0.4766065887000644
Energy: 0.42751552103231766
Energy: 0.4699216444457925
Energy: 0.4734226645033168
Energy: 0.47218420763975844
Energy: 0.47426434606409273
Energy: 0.47408656330447246
Energy: 0.47432150189946926
Energy: 0.47363918480576583
Energy: 0.47586039722107026
Energy: 0.4297903858871123
Energy: 0.4219661747863372
Energy: 0.46820979828920145
Energy: 0.4683209488346122
Energy: 0.4674490275350246
Energy: 0.4682950879324999
Energy: 0.5250666379751332
Energy: 0.4720729816724755
Energy: 0.4771300677190262
Energy: 0.4782171175028077
Energy: 0.47288194902281133
Energy: 0.47774197514923017
Energy: 0.4509705899871382
Energy: 0.4740770175372656
Energy: 0.4277675560217977
Energy: 0.45546167370358737
Energy: 0.47467694697693685
Energy: 0.4244087425286534
Energy: 0.44730342683236735
Energy: 0.42327872665328387
Energy: 0.42299446270346736
Energy: 0.4222821539198806
Energy: 0.46031372707075346
Energy: 0.4673077483962487
Energy: 0.4219742676648019
Energy: 0.4221752023324027
Energy: 0.4273530995749924
Energy: 0.42226989995542485
Energy: 0.4603367615651026
Energy: 0.4246102049349488
Energy: 0.42204442470083575
Energy: 0.4499938013271742
Energy: 0.4223670158425057
Energy: 0.48661158985221403
Energy: 0.4250400643671999
Energy: 0.4223154395427584
Energy: 0.48843236717720107
Energy: 0.4225028210342595
Energy: 0.48879996774730605
Energy: 0.48546218084807435
Energy: 0.42261739422314626
Energy: 0.42016750758363347
Energy: 0.4828506435095408
Energy: 0.42610819022554286
Energy: 0.42917129673118104
Energy: 0.4221927648493585
Energy: 0.4270889934034218
Energy: 0.42964411931863644
Energy: 0.4221234392185876
Energy: 0.409891950564659
Energy: 0.4281343142351009
Energy: 0.4460909664845373
Energy: 0.4109115921058727
Energy: 0.45864690959645554
Energy: 0.43353929607707253
Energy: 0.4094642472389845
Energy: 0.47600925377439063
Energy: 0.47199659485754936
Energy: 0.40926362570260383
Energy: 0.4738498066966463
Energy: 0.4460774270259385
Energy: 0.4287936376856696
Energy: 0.4337468899226487
Energy: 0.479813677601864
Energy: 0.4283509339168759
Energy: 0.43365099537248786
Energy: 0.47882729755565245
Energy: 0.5466376199149006
Energy: 0.4401423665763
Energy: 0.4342401300184801
Energy: 0.5477126474293896
Energy: 0.41346511971264915
Energy: 0.49854764485007536
Energy: 0.5435761557719118
Energy: 0.47169834661705917
Energy: 0.4768262098164833
Energy: 0.47551107130920883
Energy: 0.4744776761597824
Energy: 0.5279510985292691
Energy: 0.43319537259050994
Energy: 0.4804161315175693
Energy: 0.4745625477737044
Energy: 0.43554071260847316
Energy: 0.47972404229839116
Energy: 0.4796941265128812

minimum gb energy = 0.40885789235988 eV
minimum distance =  2.63991032811982 Angstroms
sigma value = 41


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

Energy: 0.7039399402356812
Energy: 0.51390879979898
Energy: 0.5437385820917339
Energy: 0.5649138804697987
Energy: 0.514037084835531
Energy: 0.543802504522913
Energy: 0.5702859284352305
Energy: 0.5157119606987285
Energy: 0.5164321919511149
Energy: 0.5131285493320391
Energy: 0.5133736096789007
Energy: 0.5459391640342923
Energy: 0.5782776877794886
Energy: 0.48179371449313585
Energy: 0.4801511560700208
Energy: 0.5769368038481444
Energy: 0.5054076200698981
Energy: 0.5076748300668843
Energy: 0.5169297492091843
Energy: 0.5072308934953803
Energy: 0.4805446984803293
Energy: 0.5171362706095287
Energy: 0.5047744673173123
Energy: 0.5088497067611452
Energy: 0.5039077236151631
Energy: 0.515246082323135
Energy: 0.5082460463911719
Energy: 0.505772637462584
Energy: 0.5145016635395483
Energy: 0.4818068113397026
Energy: 0.53234138991157
Energy: 0.5341326670545787
Energy: 0.5253040630118289
Energy: 0.5069541525791669
Energy: 0.5286997425909878
Energy: 0.48179783759014944
Energy: 0.5035094773601793
Energy: 0.5087815916890938
Energy: 0.4905128581766385
Energy: 0.5057353165905671
Energy: 0.5091042441741988
Energy: 0.48283030124614795
Energy: 0.5064406916883003
Energy: 0.5260653731645927
Energy: 0.528242758214634
Energy: 0.5074293768615435
Energy: 0.5112351183302332
Energy: 0.5044366349153175
Energy: 0.5557395796015184
Energy: 0.483256488279959
Energy: 0.4813555362827824
Energy: 0.5456202997317029
Energy: 0.5180434673049878
Energy: 0.4812654335942725
Energy: 0.5286024612849863
Energy: 0.5084663699652294
Energy: 0.5097747336236104
Energy: 0.5084085516465505
Energy: 0.5050087580636802
Energy: 0.48152303655579404
Energy: 0.5730670964993914
Energy: 0.5063159959429491
Energy: 0.490651705755167
Energy: 0.57001960444571
Energy: 0.473575101837317
Energy: 0.5108146396760073
Energy: 0.5768128311686933
Energy: 0.5715912127521295
Energy: 0.5692801816034659
Energy: 0.5772908706280035
Energy: 0.5655885578589172
Energy: 0.557409846643208
Energy: 0.571591475459779
Energy: 0.5075315553795283
Energy: 0.5155454218759434
Energy: 0.5122462012270937
Energy: 0.5074075156176614
Energy: 0.5159803741171044
Energy: 0.4719968118081769
Energy: 0.5156520877298558
Energy: 0.473432925287311
Energy: 0.47389273118538483
Energy: 0.5153210136079532
Energy: 0.5105987847691273

minimum gb energy = 0.4719968118081769 eV
minimum distance =  2.64553917261353 Angstroms
sigma value = 11


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

Energy: 0.5457309891417135
Energy: 0.6334166385024818
Energy: 0.6306139261110357
Energy: 0.6323262015514035
Energy: 0.6235544674707654
Energy: 0.6240663467150048
Energy: 0.6686527124873306
Energy: 0.5561439405861102
Energy: 0.5563437538177857
Energy: 0.5885784289044177
Energy: 0.5544401956279487
Energy: 0.5603575966338712
Energy: 0.6283807082205282
Energy: 0.5678367991755442
Energy: 0.5726607036776462
Energy: 0.5908559580021568
Energy: 0.575062772655801
Energy: 0.5722480955442463
Energy: 0.5845334105123311
Energy: 0.5553921977518503
Energy: 0.5714895212900136
Energy: 0.5675949070216483
Energy: 0.5703633638160767
Energy: 0.5700171765986222
Energy: 0.5649008403646615
Energy: 0.5549203485073047
Energy: 0.5543222532694224
Energy: 0.5787096067808123
Energy: 0.5608660976091923
Energy: 0.5549219293290545
Energy: 0.5914632263540011
Energy: 0.5592974063971015
Energy: 0.5730276431122993
Energy: 0.5661324246641234
Energy: 0.5595548259611445
Energy: 0.5665395529501583
Energy: 0.5715325217287484
Energy: 0.5742553706996663
Energy: 0.5596205833247607
Energy: 0.5596364603641255
Energy: 0.5555721975306299
Energy: 0.5600288130180976
Energy: 0.5602499102140154
Energy: 0.5829645264094995
Energy: 0.5728420317360409
Energy: 0.5608575987732369
Energy: 0.587151481902088
Energy: 0.5562829496430769
Energy: 0.5401648052374441
Energy: 0.5673494786261687
Energy: 0.578354914766719
Energy: 0.5559986957328765
Energy: 0.5630901882882033
Energy: 0.5461506004510983
Energy: 0.5404017579841716
Energy: 0.5796181477497452
Energy: 0.5742498245116103
Energy: 0.5551861352250775
Energy: 0.5785544512722088
Energy: 0.576731289605049
Energy: 0.5603728235980556
Energy: 0.570635353882459
Energy: 0.5604310586339463
Energy: 0.5609307070497389
Energy: 0.5779060756274295
Energy: 0.5563146595527366
Energy: 0.5546246730391301
Energy: 0.5806738675375264
Energy: 0.5805006386993943
Energy: 0.555043263375611
Energy: 0.577703539007714
Energy: 0.5711427695489074
Energy: 0.5533467399340093
Energy: 0.5682049344725849
Energy: 0.5786396708988785
Energy: 0.5535076295840983
Energy: 0.5755203375492979
Energy: 0.6078557343612856
Energy: 0.5773162545460571
Energy: 0.5937324320905415
Energy: 0.5813504887982591
Energy: 0.5705074895338704
Energy: 0.6683206586404976
Energy: 0.5746485110010364
Energy: 0.5432307756051827
Energy: 0.5759662020689394
Energy: 0.5866452172327632
Energy: 0.5435954177152216
Energy: 0.5767593022738282
Energy: 0.5816885765359134
Energy: 0.5433756797774583
Energy: 0.5726030680475392
Energy: 0.5434489966842542
Energy: 0.5444746349927614
Energy: 0.5860549499604921
Energy: 0.542836900783595
Energy: 0.5427926428108585
Energy: 0.5802571945308752
Energy: 0.5742039758090317
Energy: 0.5427540177775799
Energy: 0.5711657002632118
Energy: 0.5907929049552703
Energy: 0.5917718355105537
Energy: 0.5833676039587554
Energy: 0.5751198449183136
Energy: 0.5697542726298214
Energy: 0.5756770870631124
Energy: 0.577210446611404
Energy: 0.5634705092519982
Energy: 0.5647308495247665
Energy: 0.5651171231159198
Energy: 0.5634913124072608
Energy: 0.5630797468248276
Energy: 0.5895794332370458
Energy: 0.5803953489027961
Energy: 0.5733556542982472
Energy: 0.572889182231982
Energy: 0.5684011377864732
Energy: 0.5727677796889235
Energy: 0.5650859548694337
Energy: 0.6072555110560042
Energy: 0.558113336408363
Energy: 0.5688289934718883
Energy: 0.5680187006633943
Energy: 0.5686844472815121
Energy: 0.5608733895606334
Energy: 0.5598620582796708
Energy: 0.5781904291264365
Energy: 0.5611725099523638
Energy: 0.5836528292500389
Energy: 0.5688879390497539
Energy: 0.5705194924284213
Energy: 0.5541698317899133
Energy: 0.5712196733786374
Energy: 0.5708943612454244
Energy: 0.5783475821638642
Energy: 0.569034511312298
Energy: 0.5706607585221224
Energy: 0.6075658543577017
Energy: 0.5472808267415115
Energy: 0.5852505743338805
Energy: 0.5610053205600561
Energy: 0.5644885589542682
Energy: 0.5761933392667921
Energy: 0.6038736098573961
Energy: 0.5671806496655429
Energy: 0.6030710887317883
Energy: 0.604913772787438
Energy: 0.5782171830372063
Energy: 0.607430464881442
Energy: 0.6073758284366834
Energy: 0.5579109937259052
Energy: 0.5785860344803583
Energy: 0.5792687245843026
Energy: 0.5428055437917121
Energy: 0.5778348624397848
Energy: 0.6079865337418967
Energy: 0.5426102017743029
Energy: 0.5428973881397002
Energy: 0.5770321120958254
Energy: 0.5450354123425607
Energy: 0.5429350230625613
Energy: 0.6080620271444358
Energy: 0.5614932998872251
Energy: 0.581215386172926
Energy: 0.5783931481974629
Energy: 0.5434464857522581
Energy: 0.5826976787889324
Energy: 0.6055283125552616
Energy: 0.5739636007025092
Energy: 0.5775921595194026
Energy: 0.6671008345722167
Energy: 0.573016086371673
Energy: 0.6361217714113159
Energy: 0.6681113699309629
Energy: 0.5536608881054477
Energy: 0.6050831808911752
Energy: 0.5619269098360751
Energy: 0.5537210329853082
Energy: 0.5803321507707918
Energy: 0.5465446332755243
Energy: 0.557690389329562
Energy: 0.5632990381457939
Energy: 0.5761142390151818
Energy: 0.5557046306615149
Energy: 0.5637929232536861

minimum gb energy = 0.5401648052374441 eV
minimum distance =  2.63774984802896 Angstroms
sigma value = 57


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

Energy: 0.8091036120996669
Energy: 0.8669876454483435
Energy: 0.6086315314235479
Energy: 0.6100050317453646
Energy: 0.8621806480646739
Energy: 0.609449359226936
Energy: 0.6040623004638856
Energy: 0.5610633787595353
Energy: 0.5621023602597846
Energy: 0.5579487599544114
Energy: 0.5598193920667529
Energy: 0.5596193492258688
Energy: 0.5887205708601998
Energy: 0.5558705716697117
Energy: 0.5376175835203371
Energy: 0.5893233034307057
Energy: 0.55685886262769
Energy: 0.5372315649042272
Energy: 0.5588128465230449
Energy: 0.5364681554635832
Energy: 0.5354985970058304
Energy: 0.5579965125518609
Energy: 0.5975916176447162
Energy: 0.5630926935860631
Energy: 0.5759813355694656
Energy: 0.5608474789187025
Energy: 0.5624671020797801
Energy: 0.5745301350117852
Energy: 0.5575805987047723
Energy: 0.5359717225365692
Energy: 0.558756199831998
Energy: 0.5728573844954997
Energy: 0.570149342142573
Energy: 0.558997056129002
Energy: 0.5720330309343942
Energy: 0.5518068838125894
Energy: 0.5940869093368867
Energy: 0.566959066290712
Energy: 0.5315455707392589
Energy: 0.5740163192396114
Energy: 0.5853973336715051
Energy: 0.5699294970735316
Energy: 0.6060238756515993
Energy: 0.5600190147938776
Energy: 0.5362400492093284
Energy: 0.5593986798938194
Energy: 0.5754182043098668
Energy: 0.5625340557455089
Energy: 0.5245664843910169
Energy: 0.5598324794237137
Energy: 0.5603993759661703
Energy: 0.5250684043414744
Energy: 0.5584810348612284
Energy: 0.5245339128150438
Energy: 0.5247064093471306
Energy: 0.5601977285323617
Energy: 0.5613745726321732
Energy: 0.5244693844188946
Energy: 0.5610786865790424
Energy: 0.5590735907010805
Energy: 0.605780717659411
Energy: 0.5367720927262649
Energy: 0.5362492034040592
Energy: 0.5595717042737319
Energy: 0.5587467230117841
Energy: 0.5630698706135001
Energy: 0.5865607046478666
Energy: 0.5859184850183554
Energy: 0.5560888280892874
Energy: 0.5598596976809758
Energy: 0.5557190093421563
Energy: 0.5383130436191843
Energy: 0.5585383708056123
Energy: 0.5595789475379305
Energy: 0.559841647232848
Energy: 0.559746018857115
Energy: 0.5590609267267718
Energy: 0.5515295123897318
Energy: 0.5584464446892752
Energy: 0.5928751066386453
Energy: 0.5928736833150815
Energy: 0.5599804321919881
Energy: 0.5892656116582363
Energy: 0.602145409841118
Energy: 0.5760390263394564
Energy: 0.5822947223255376
Energy: 0.5618574759317236
Energy: 0.5756772737468543
Energy: 0.5817552599978328
Energy: 0.5922750136904141
Energy: 0.5884256589635517
Energy: 0.582394389003057
Energy: 0.5592997366656959
Energy: 0.5898976103327651
Energy: 0.5816554898356866
Energy: 0.5371705773668402
Energy: 0.5229388852253921
Energy: 0.561274454036019
Energy: 0.5634413280619606
Energy: 0.5232389049984565
Energy: 0.5603489011969498
Energy: 0.5591761277569718

minimum gb energy = 0.5229388852253921 eV
minimum distance =  2.63262878699819 Angstroms
sigma value = 9


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

Energy: 0.6874171791215373
Energy: 0.6476331589886396
Energy: 0.6774351915341215
Energy: 0.6591543865995898
Energy: 0.6341223702965181
Energy: 0.67955006627801
Energy: 0.6925201286379074
Energy: 0.59771924174617
Energy: 0.5991008647360812
Energy: 0.5857163295566437
Energy: 0.6019176626037632
Energy: 0.5869758192366682
Energy: 0.6066946193764269
Energy: 0.5978353925919654
Energy: 0.6001082865525732
Energy: 0.5727942091625672
Energy: 0.6158245185345352
Energy: 0.5772106396299612
Energy: 0.5725937511451394
Energy: 0.5816449223801324
Energy: 0.5821699493750802
Energy: 0.582053214309525
Energy: 0.580991216954221
Energy: 0.5837636406591514
Energy: 0.602282314576758
Energy: 0.589654433749242
Energy: 0.5924747094933409
Energy: 0.6295799484674534
Energy: 0.5879559197246141
Energy: 0.579621476992634
Energy: 0.5908931605287572
Energy: 0.5904044934522681
Energy: 0.5890121696334325
Energy: 0.5983741084719919
Energy: 0.6004319772333123
Energy: 0.5891021988893075
Energy: 0.5693914610024835
Energy: 0.5644719976332884
Energy: 0.5759007987896682
Energy: 0.5698343613693663
Energy: 0.6258752524386084
Energy: 0.582177598811042
Energy: 0.6148853219025158
Energy: 0.5920338627606807
Energy: 0.591679150095411
Energy: 0.5799616989508022
Energy: 0.5911662762920714
Energy: 0.5910935103446748
Energy: 0.5876512856601191
Energy: 0.583056831963291
Energy: 0.5847277114646581
Energy: 0.601377906664976
Energy: 0.581320329081532
Energy: 0.5942420074452085
Energy: 0.5899637742964597
Energy: 0.5720474392727752
Energy: 0.5746448742785587
Energy: 0.5807856517719746
Energy: 0.570139517897287
Energy: 0.5694583201018999
Energy: 0.5874179261269081
Energy: 0.5914140401116486
Energy: 0.5912695601377231
Energy: 0.5958338666565162
Energy: 0.5954822957501564
Energy: 0.5704272578866579
Energy: 0.5971994571541461
Energy: 0.6142640319723724
Energy: 0.6102871958219548
Energy: 0.6005920801674974
Energy: 0.6172195752504314
Energy: 0.5994028507861491
Energy: 0.6076978161887319
Energy: 0.5827819727602357
Energy: 0.5850193163621411
Energy: 0.6062949136750256
Energy: 0.5821064872052564
Energy: 0.5977628880817504
Energy: 0.6034880725082817
Energy: 0.596565932941624
Energy: 0.5867437310709389
Energy: 0.5720645396371593
Energy: 0.59433504562777
Energy: 0.5838975303315013
Energy: 0.5911789049573472
Energy: 0.5984958242345021
Energy: 0.6001059290560977
Energy: 0.5896687059194927
Energy: 0.5921776846821478
Energy: 0.5872356809575129
Energy: 0.5818335471097249
Energy: 0.5855481458298909
Energy: 0.5682289192613944
Energy: 0.5815547790601187
Energy: 0.606709521637266
Energy: 0.5806647900094801
Energy: 0.5850313238068773
Energy: 0.6009767282592796
Energy: 0.585498295876044
Energy: 0.5833914049142196
Energy: 0.5946932824972776
Energy: 0.5870474145364805
Energy: 0.6246147775093347
Energy: 0.5941278760111057
Energy: 0.596730191604079
Energy: 0.6649838968982585
Energy: 0.5859119062566097
Energy: 0.5898435339017147
Energy: 0.5875450262783148
Energy: 0.6039238127650111
Energy: 0.5856358728937949
Energy: 0.5864870447692837
Energy: 0.6386396948228583
Energy: 0.5843508884661993
Energy: 0.5816788651019345
Energy: 0.6060701855883394
Energy: 0.5869531625723121
Energy: 0.598183756020112
Energy: 0.6009343692661328
Energy: 0.6016042283431259
Energy: 0.5766205699909537
Energy: 0.5866218719415662
Energy: 0.5874867237938749
Energy: 0.591134012867618
Energy: 0.5857984175248189
Energy: 0.5976887196836544

minimum gb energy = 0.5644719976332884 eV
minimum distance =  2.6152708075225 Angstroms
sigma value = 27


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

Energy: 0.5770898158957197
Energy: 0.8935489579499235
Energy: 0.5413758314201695
Energy: 0.5783853409077325
Energy: 0.8910589066353204
Energy: 0.5433029891015976
Energy: 0.6041195145049826
Energy: 0.548296571230214
Energy: 0.5410969783161321
Energy: 0.5463895050004592
Energy: 0.5438001383123138
Energy: 0.5418561549779566
Energy: 0.5696147769244901
Energy: 0.55626661617357
Energy: 0.5550119514504521
Energy: 0.569313896838685
Energy: 0.5773428390512034
Energy: 0.5493243247251398
Energy: 0.5350179791623276
Energy: 0.5429329761406722
Energy: 0.5364105575780174
Energy: 0.5352095086401097
Energy: 0.5475837495821541
Energy: 0.5394987640162997
Energy: 0.5976056543915671
Energy: 0.5466693955134738
Energy: 0.5499122821386628
Energy: 0.5941675755413113
Energy: 0.5453009124315501
Energy: 0.5465191239553563
Energy: 0.5658958252373517
Energy: 0.5425767391039997
Energy: 0.5404387532662404
Energy: 0.5591815512770949
Energy: 0.5447635394924016
Energy: 0.5404779051762596
Energy: 0.5386975558270812
Energy: 0.5729935298598648
Energy: 0.5324380693931502
Energy: 0.5387972558683068
Energy: 0.5812557101537875
Energy: 0.5316254142211114
Energy: 0.5425160888968902
Energy: 0.5273717097612098
Energy: 0.5411482926383634
Energy: 0.5468829091177333
Energy: 0.5268623962645242
Energy: 0.5388301476452244
Energy: 0.6411584077429368
Energy: 0.5736913638984836
Energy: 0.5507067293147273
Energy: 0.5467540031554824
Energy: 0.5732273570258708
Energy: 0.553792932778952
Energy: 0.6032337097745946
Energy: 0.5346329218820013
Energy: 0.5458803832420529
Energy: 0.5418640811321802
Energy: 0.5634366955318261
Energy: 0.5372085417212809
Energy: 0.5424606522693384
Energy: 0.5461235991824084
Energy: 0.5401349750387512
Energy: 0.5494307283427541
Energy: 0.5396970524966186
Energy: 0.5393770834837364
Energy: 0.5393301340270895
Energy: 0.5464030394625321
Energy: 0.5436985953259397
Energy: 0.5463275008264997
Energy: 0.5479477706645454
Energy: 0.5412210121977681
Energy: 0.582261708472245
Energy: 0.5386480610333424
Energy: 0.5397099059274273
Energy: 0.5273425804045836
Energy: 0.5353294237849524
Energy: 0.539475112645166
Energy: 0.5753508456952867
Energy: 0.5459779999553808
Energy: 0.5456978500341109
Energy: 0.5661752567911111
Energy: 0.5451547275095104
Energy: 0.5287716774881931
Energy: 0.5398312651806819
Energy: 0.538615559689611
Energy: 0.5435609905348159
Energy: 0.5448441794183142
Energy: 0.5407432466966287
Energy: 0.5467763787458855
Energy: 0.5628470484212946
Energy: 0.5470772887148835
Energy: 0.5476556037472234
Energy: 0.5631568278831818
Energy: 0.5558433052836326
Energy: 0.5416401072628696
Energy: 0.5535051785472697
Energy: 0.5462261316796575
Energy: 0.5374434429453844
Energy: 0.5392635840962506
Energy: 0.5464571219755708
Energy: 0.5414540186589082
Energy: 0.5636187271308907
Energy: 0.5464610994325405
Energy: 0.546656364030719
Energy: 0.5645259247482057
Energy: 0.5459549623841835
Energy: 0.538479215658893
Energy: 0.5332526710062555
Energy: 0.5274992427943601
Energy: 0.5371828282519502
Energy: 0.5335451510391057
Energy: 0.5478624801010827
Energy: 0.5376732494031655
Energy: 0.5404402744145774
Energy: 0.5275786905718332
Energy: 0.5270855401767215
Energy: 0.5398774465009119
Energy: 0.5283606108341495
Energy: 0.5379943794236838
Energy: 0.6044662026139048
Energy: 0.5459213544252209
Energy: 0.5445152692153753
Energy: 0.5482846300953056
Energy: 0.5471886350322381
Energy: 0.537251147172886
Energy: 0.5594374503092029
Energy: 0.5434648330270353
Energy: 0.5412460839538973
Energy: 0.5590313155982044
Energy: 0.5451430654805715
Energy: 0.5480276145768463
Energy: 0.5395780511942776
Energy: 0.5432454408672842
Energy: 0.542360622185789
Energy: 0.5437079368908276
Energy: 0.5480028818823337
Energy: 0.5412339702105893
Energy: 0.5420696724648998
Energy: 0.5348824649799319
Energy: 0.5420410477345031
Energy: 0.5451931327348385
Energy: 0.5881819953436376
Energy: 0.5470831650223609
Energy: 0.5707331696195566
Energy: 0.536098083056111
Energy: 0.5377907331993009
Energy: 0.5694165466321514
Energy: 0.5350939473383122
Energy: 0.5288987631504175

minimum gb energy = 0.5268623962645242 eV
minimum distance =  2.67836548355382 Angstroms
sigma value = 19


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

Energy: 0.6184195328889562
Energy: 0.5959205653624817
Energy: 0.6048524856327874
Energy: 0.5983207784144764
Energy: 0.6059541617425369
Energy: 0.5625693278241732
Energy: 0.5824902473250769
Energy: 0.6005182881208573
Energy: 0.5811891497117708
Energy: 0.6226296984759032
Energy: 0.5872671931147443
Energy: 0.585460893738557
Energy: 0.581206662481978
Energy: 0.5622161018625663
Energy: 0.5611584061846866
Energy: 0.5717153470467581
Energy: 0.5726071383258251
Energy: 0.568095041186344
Energy: 0.5762179373197736
Energy: 0.5604760809987592
Energy: 0.5612959113537731
Energy: 0.5709269315965694
Energy: 0.5615985097194481
Energy: 0.560845933442469
Energy: 0.6043387728679569
Energy: 0.5684878839965224
Energy: 0.5644537864641187
Energy: 0.5923508847446247
Energy: 0.5745810243642568
Energy: 0.563933422483825
Energy: 0.5978761272905403
Energy: 0.6081972733519354
Energy: 0.5718700614464732
Energy: 0.5847659345113575
Energy: 0.6091101985091649
Energy: 0.5670505526791474
Energy: 0.6071173975107965
Energy: 0.5659857274884971
Energy: 0.567739494723808
Energy: 0.5887878750099731
Energy: 0.5648239855933143
Energy: 0.5669962915633665
Energy: 0.6003367867070951
Energy: 0.5895989367440172
Energy: 0.5842677594298572
Energy: 0.5942429425536969
Energy: 0.5938565928125126
Energy: 0.5833101449398143
Energy: 0.5993254281578935
Energy: 0.5718829237497944
Energy: 0.5702799318612078
Energy: 0.5927990213274992
Energy: 0.5680140703479372
Energy: 0.5678310492475122
Energy: 0.5981202499201255
Energy: 0.57455117766325
Energy: 0.5698375052076543
Energy: 0.5896539527866896
Energy: 0.5753208687564794
Energy: 0.573623185355589
Energy: 0.5786905544230421
Energy: 0.5510049634863472
Energy: 0.558613042042131
Energy: 0.5724524150075975
Energy: 0.5552470341884779
Energy: 0.5607346930527772
Energy: 0.5802134215958172
Energy: 0.5846920802467034
Energy: 0.5826332264097513
Energy: 0.5556855100309915
Energy: 0.5863731522598933
Energy: 0.5439635171568024
Energy: 0.6093557247192042
Energy: 0.5807840798473091
Energy: 0.5812939852196021
Energy: 0.5925328248695796
Energy: 0.5789298001778753
Energy: 0.5722618526137937
Energy: 0.5933967254996592
Energy: 0.5790210602509411
Energy: 0.5839099520310806
Energy: 0.5827691176535191
Energy: 0.5786423546554421
Energy: 0.5862817172341371
Energy: 0.5803531460706997
Energy: 0.5816363078237621
Energy: 0.5554804565974149
Energy: 0.5646653804633688
Energy: 0.5815557263130682
Energy: 0.5643241905363017
Energy: 0.5796361940989256
Energy: 0.5689605832713521
Energy: 0.5708904968466968
Energy: 0.5707482811202403
Energy: 0.5797158676227997
Energy: 0.5698759233299013
Energy: 0.5887347293548998
Energy: 0.5758504748109041
Energy: 0.5779877316647
Energy: 0.5819590085804542
Energy: 0.5745292654085736
Energy: 0.5713028982982871
Energy: 0.5901350610695555
Energy: 0.5701194310097027
Energy: 0.5699116957201369
Energy: 0.5854335471220522
Energy: 0.5670977657973908
Energy: 0.5667977922813534
Energy: 0.5948803691058011
Energy: 0.5918761326367532
Energy: 0.5611705428108456
Energy: 0.5882710845504685
Energy: 0.5922385496819946
Energy: 0.5766998133308033
Energy: 0.5809714848643196
Energy: 0.5901472657750044
Energy: 0.5499040217111612
Energy: 0.5781712706545826
Energy: 0.5935649182434625
Energy: 0.5622816069368133
Energy: 0.5811911954356648
Energy: 0.5671002553264917
Energy: 0.5630145708612024
Energy: 0.58193403618353
Energy: 0.5689698377985352
Energy: 0.5696040222159274
Energy: 0.583730941004551
Energy: 0.5621872784729117
Energy: 0.5634416372525329
Energy: 0.5832644348167934
Energy: 0.5551854669629611
Energy: 0.5781918026013539
Energy: 0.5957362742900376
Energy: 0.5927551166268349
Energy: 0.5922333337183958
Energy: 0.5841125589781652
Energy: 0.5925567082992421
Energy: 0.5780399955083776
Energy: 0.6028893165755786
Energy: 0.5722618880140081
Energy: 0.5795290136576298
Energy: 0.583576618444128
Energy: 0.5757718515241297
Energy: 0.595143186863228
Energy: 0.5942348677827792
Energy: 0.5661491863055543
Energy: 0.5537647970376454
Energy: 0.5873158388613464
Energy: 0.5612555473141325
Energy: 0.5513703264164943
Energy: 0.5984439874860137
Energy: 0.5616782778627939
Energy: 0.5635044279464995
Energy: 0.5881224475586015
Energy: 0.5713363389705911
Energy: 0.5620815368290448
Energy: 0.5817747956860185
Energy: 0.5757554834220032
Energy: 0.5747849262043456
Energy: 0.5737508084293274
Energy: 0.5731188181059592
Energy: 0.5709279329336279
Energy: 0.5811280319209661
Energy: 0.5947889372154668
Energy: 0.5759913949055373
Energy: 0.5742701368622501
Energy: 0.5914640735709045
Energy: 0.5687474059383665
Energy: 0.5924219276975933
Energy: 0.5665891503618551
Energy: 0.56833231379056
Energy: 0.5749213463487612
Energy: 0.609574694829163
Energy: 0.5897248284379903

minimum gb energy = 0.5439635171568024 eV
minimum distance =  2.61050829983416 Angstroms
sigma value = 101


========================================
theta = 159.9500242758485
========================================

Energy: 0.9000655731995021
Energy: 0.9297286542839864
Energy: 0.5658644884670183
Energy: 0.5480954526609391
Energy: 0.5490779138420713
Energy: 0.545489429186307
Energy: 0.5818625146929566
Energy: 0.5766521327889138
Energy: 0.5573938579501889
Energy: 0.5798720485582061
Energy: 0.5789080270836485
Energy: 0.5589204107076261
Energy: 0.5847461134395454
Energy: 0.5536709847459865
Energy: 0.5480356759753561
Energy: 0.5677638443876659
Energy: 0.5636987349148046
Energy: 0.5433614525687636
Energy: 0.5712529163513995
Energy: 0.5617976807744912
Energy: 0.5621933912495114
Energy: 0.5628703689948552
Energy: 0.5622729617646035
Energy: 0.5446300673972548
Energy: 0.5786983969713464
Energy: 0.5625228535643829
Energy: 0.560135361573777
Energy: 0.5801317538150367
Energy: 0.5653381684998531
Energy: 0.5592741670382885
Energy: 0.5715988667682264
Energy: 0.5782241003037634
Energy: 0.5595059567466668
Energy: 0.5727443999892843
Energy: 0.5797352894746464
Energy: 0.5759829191833142
Energy: 0.5784950099457375
Energy: 0.5486054299515748
Energy: 0.5566967209964719
Energy: 0.5717884379847055
Energy: 0.5585749962468513
Energy: 0.5566084641211294
Energy: 0.5660970072300431
Energy: 0.5866999685608061
Energy: 0.5868519240104827
Energy: 0.5683165885080377
Energy: 0.5715840556812198
Energy: 0.5764533450042078
Energy: 0.5656711437874506
Energy: 0.5575946267918845
Energy: 0.5433802664078778
Energy: 0.5662378502727481
Energy: 0.5585034114624062
Energy: 0.544163422217218
Energy: 0.5655740802254079
Energy: 0.5748402019239885
Energy: 0.5594962094996453
Energy: 0.5614553267191049
Energy: 0.5727992613991361
Energy: 0.5593183061851341
Energy: 0.575917018686947
Energy: 0.5233583340001773
Energy: 0.5508330080489455
Energy: 0.6526447144177627
Energy: 0.5229735851544811
Energy: 0.5519732180027994
Energy: 0.5866819272794832
Energy: 0.5710629416628983
Energy: 0.5604171997130739
Energy: 0.562717472364914
Energy: 0.5696146382005122
Energy: 0.5637913651860417
Energy: 0.5667744825999796
Energy: 0.5614796280062071
Energy: 0.5532344576271128
Energy: 0.5654216532892399
Energy: 0.5691701828692864
Energy: 0.5541887023279267
Energy: 0.5714147046886272
Energy: 0.5590797828889198
Energy: 0.5584648784365221
Energy: 0.56945595657386
Energy: 0.558089661008772
Energy: 0.5544303242690161
Energy: 0.5816164653807093
Energy: 0.5598043320231322
Energy: 0.5556562624150725
Energy: 0.5648254226936524
Energy: 0.5582558879741646
Energy: 0.5590808740057485
Energy: 0.5817808993014429
Energy: 0.5643417427495176
Energy: 0.5622386667619711
Energy: 0.5672028099856734
Energy: 0.5690100202706281
Energy: 0.5601518454690115
Energy: 0.5536165945890367
Energy: 0.5966435882379147
Energy: 0.5704849772589767
Energy: 0.5517715514526499
Energy: 0.5986189543102661
Energy: 0.5503444314772572
Energy: 0.6041753630939436
Energy: 0.5796548069888386
Energy: 0.557240549207783
Energy: 0.57864933993435
Energy: 0.5776338401435563
Energy: 0.5675670198436622
Energy: 0.5827252206369777
Energy: 0.5602630253312251
Energy: 0.5473417730725214
Energy: 0.5596846150304874
Energy: 0.5678604182701141
Energy: 0.5521832840313418
Energy: 0.5693344256142309
Energy: 0.5645270687616439
Energy: 0.5620013409755917
Energy: 0.5604733295044322
Energy: 0.5661358534689866
Energy: 0.5595665597013764
Energy: 0.5798761273536714
Energy: 0.5535152263284104
Energy: 0.554205407645058
Energy: 0.5777783008407522
Energy: 0.559517456678933
Energy: 0.5607644712104696
Energy: 0.5703511980577974
Energy: 0.5569873760260625
Energy: 0.5460542382423198
Energy: 0.5725038516326214
Energy: 0.5576042268526323
Energy: 0.5606195936204185
Energy: 0.5848133326006405
Energy: 0.5595110255882977
Energy: 0.5617572460103251
Energy: 0.5745139427310881
Energy: 0.558256665478939
Energy: 0.5620250756062639
Energy: 0.5767375096585042
Energy: 0.5609061177401069
Energy: 0.5632500868507891
Energy: 0.5754379076155645
Energy: 0.5633950909199149
Energy: 0.578394634502942
Energy: 0.5655885471013399
Energy: 0.5568837127825518
Energy: 0.5428687696587146
Energy: 0.5663967618386632
Energy: 0.5576237942918096
Energy: 0.5472356637014693
Energy: 0.5668562220577529
Energy: 0.561401649098396
Energy: 0.5533517170403084
Energy: 0.5606622632165595
Energy: 0.5627567124911186
Energy: 0.5594701674521314
Energy: 0.5582557870130946
Energy: 0.5446657361445832
Energy: 0.5232408274525623
Energy: 0.552876044902768
Energy: 0.5517548901167983
Energy: 0.5532285270737395
Energy: 0.5809743941657846
Energy: 0.5563131218017732
Energy: 0.5547934304843231
Energy: 0.5656001870509983
Energy: 0.5580793347884646
Energy: 0.55835765390147
Energy: 0.5662723552406581
Energy: 0.5689987731418317
Energy: 0.5629151217891855
Energy: 0.5684571027868094
Energy: 0.5687028824233493
Energy: 0.5563176617758677
Energy: 0.5678886608601874
Energy: 0.5604600942592812
Energy: 0.5623581175345265
Energy: 0.5656822417697434
Energy: 0.5657930612238639
Energy: 0.5550718872969044
Energy: 0.5822032721656939
Energy: 0.5614025959035059
Energy: 0.5596876338721994
Energy: 0.5661030285548361
Energy: 0.5630090801018715
Energy: 0.5624572151378089
Energy: 0.5825008250809672
Energy: 0.5641358935000935
Energy: 0.5581347897431462
Energy: 0.5667965823972547
Energy: 0.5695306278208543
Energy: 0.5466874509891778
Energy: 0.5560940105137968
Energy: 0.5693924678779255
Energy: 0.5587162270609664
Energy: 0.5550645394109193
Energy: 0.5668474182544178
Energy: 0.559985176153895

minimum gb energy = 0.5229735851544811 eV
minimum distance =  2.65208810775101 Angstroms
sigma value = 33


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

Energy: 0.013519841310641018
Energy: 0.6111502217760426
Energy: 0.014095273190265784
Energy: 0.014965838308844653
Energy: 0.6164645065650638
Energy: 0.013970140443124364
Energy: 0.2815582739751833
Energy: 0.07696505559353892
Energy: 0.07559744928116434
Energy: 0.08100016538203106
Energy: 0.07987696169558538
Energy: 0.07556414692059056
Energy: 0.8076706529554514
Energy: 0.6068668283779972
Energy: 0.6081259160345011
Energy: 0.6108060593421846
Energy: 0.6091236166612684
Energy: 0.6079041296318829
Energy: 0.28155827397621414
Energy: 0.07696505559423909
Energy: 0.07559744928184509
Energy: 0.08100016538374263
Energy: 0.07987696169659678
Energy: 0.07556414692197151

minimum gb energy = 0.013519841310641018 eV
minimum distance =  2.83745674685564 Angstroms
sigma value = 1