Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080053472518922
cohesive_energy=3.9303141807648228
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.068807226011498e-19, 1.72237192508268e-19, 2.270284290378e-19, 2.7505046928868197e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57769101336578e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29043385687812e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06388753471942e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.8571615914122e-19, 1.9324813688654397e-19, 7.75270842719724e-20, -6.808321432052279e-20, -2.52634416002388e-19, -4.88748788731602e-19, -7.94386412139978e-19, -1.195294264735896e-18, -1.72852428335724e-18, -2.4493275292274997e-18, -3.44512837255752e-18, -4.861804995872999e-18, -6.95589792181002e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011900322147686068
Energy: 0.06493411938683627
Energy: 0.42972112152845743
Energy: 0.012901782340380153
Energy: 0.06493411938683627
Energy: 0.4427545100176284
Energy: 0.012901782340872536
Energy: 0.4427545100200356
Energy: 0.4297211215294148
Energy: 0.012901782340380153
Energy: 0.011900322147686068
Energy: 0.06493411939020087
Energy: 0.012901782340872536
Energy: 0.442754510020993
Energy: 0.06493411938538647
Energy: 0.44275451001426375

minimum gb energy = 0.011900322147686068 eV
minimum distance =  2.79752070509977 Angstroms
sigma value = 1


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

Energy: 0.8224515897109222
Energy: 0.5807489230794617
Energy: 0.5811405650963092
Energy: 0.5442234196505574
Energy: 0.5523115930272092
Energy: 0.5902801670365897
Energy: 0.5481656679301494
Energy: 0.5902801670359924
Energy: 0.5812273107845356
Energy: 0.5806353109491702
Energy: 0.8962355895482165
Energy: 0.5806353109509617
Energy: 0.5501437818152516
Energy: 0.5498085257772504
Energy: 0.5482326118728968
Energy: 0.5498085257784445
Energy: 0.7638951182322928
Energy: 0.5475289177892962
Energy: 0.5496481614749169
Energy: 0.5475289177881019
Energy: 0.5715500155286934
Energy: 0.5716030026327228
Energy: 0.5487554704043227
Energy: 0.57160300263332
Energy: 0.5726612514400954
Energy: 0.5708848465138916
Energy: 0.5704803026741693
Energy: 0.5708848465132945
Energy: 0.5740773370518161
Energy: 0.5792210939923654
Energy: 0.5926495936986524
Energy: 0.5792210939929625
Energy: 0.5810948716802165
Energy: 0.57661347742953
Energy: 0.5816305541101475
Energy: 0.5766134774307243
Energy: 0.5891846886278782
Energy: 0.5787709848047993
Energy: 0.5826308477926614
Energy: 0.578770984803605
Energy: 0.5801167973059274
Energy: 0.5764993846043568
Energy: 0.5814770760252631
Energy: 0.5764993846037597
Energy: 0.5762844825089837
Energy: 0.575341167899037
Energy: 0.5910478980471621
Energy: 0.575341167899037
Energy: 0.5834045291639972
Energy: 0.5703201293139134
Energy: 0.5554560270782639
Energy: 0.5703201293133162
Energy: 0.5719214810557964
Energy: 0.5710181642261971
Energy: 0.5724603103043401
Energy: 0.5710181642255999
Energy: 0.555553109142872
Energy: 0.5476248344095558
Energy: 0.5483531989898254
Energy: 0.5476248344095558
Energy: 0.5614772327644013
Energy: 0.5503320310757508
Energy: 0.5490970044122844
Energy: 0.5503320310763481
Energy: 0.5809386542925365
Energy: 0.580704328748007
Energy: 0.540457192408256
Energy: 0.5807043287456184
Energy: 0.5479946813343081
Energy: 0.5480085319162056
Energy: 0.554493456220652
Energy: 0.5480085319162056
Energy: 0.5486698375083866
Energy: 0.5804154030302375
Energy: 0.581732975245073
Energy: 0.580415403028446
Energy: 0.5719176735896084
Energy: 0.549848598891435
Energy: 0.5496765050801175
Energy: 0.549848598891435
Energy: 0.5503324434227548
Energy: 0.549234875223463
Energy: 0.5696703701760562
Energy: 0.5492348752228658
Energy: 0.5488889104518261
Energy: 0.5488495597137327
Energy: 0.571218326777538
Energy: 0.548849559714927
Energy: 0.5697327733092078
Energy: 0.5710736949748456
Energy: 0.5710683550891155
Energy: 0.5710736949760398
Energy: 0.5869378392664566
Energy: 0.5741976019142206
Energy: 0.5720393075748215
Energy: 0.5741976019148177
Energy: 0.5818168361122434
Energy: 0.57681408554588
Energy: 0.6570182605627626
Energy: 0.5768140855470744
Energy: 0.5826507312139355
Energy: 0.5748446313038154
Energy: 0.5900335392808881
Energy: 0.5748446313050095
Energy: 0.5816666970963847
Energy: 0.576506813622903
Energy: 0.5799521505880882
Energy: 0.5765068136223057
Energy: 0.5915309349071138
Energy: 0.575218293439453
Energy: 0.5715433977706231
Energy: 0.575218293439453
Energy: 0.5554574522918647
Energy: 0.5703791747653435
Energy: 0.5838041620501642
Energy: 0.5703791747647463
Energy: 0.5725055809523723
Energy: 0.572019888367733
Energy: 0.5728762238888857
Energy: 0.5720198883665387
Energy: 0.5478706940156611
Energy: 0.5477175693995585
Energy: 0.5544014737400697
Energy: 0.5477175693989613
Energy: 0.5489539040448079
Energy: 0.5477781353267059
Energy: 0.5615746862610832
Energy: 0.5477781353261088
Energy: 0.5408528885607121
Energy: 0.5491777931560519
Energy: 0.5815396871704158
Energy: 0.5491777931560519

minimum gb energy = 0.540457192408256 eV
minimum distance =  2.55012230298117 Angstroms
sigma value = 1


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

Energy: 0.9390834609330082
Energy: 0.6082690900680716
Energy: 0.6080385804607095
Energy: 0.5663153668426419
Energy: 0.5740216195547544
Energy: 0.6153389931231694
Energy: 0.5744153729809919
Energy: 0.6153389931231694
Energy: 0.607698068843219
Energy: 0.6084357769044815
Energy: 0.5736226169416934
Energy: 0.6084357769051622
Energy: 0.5753538150304388
Energy: 0.5738322385038473
Energy: 0.5742188596945749
Energy: 0.5738322385079327
Energy: 0.5743553575251258
Energy: 0.5734779563283461
Energy: 0.5741594724521073
Energy: 0.5734779563256227
Energy: 0.6003732158736876
Energy: 0.6407337602888796
Energy: 0.5742550155172749
Energy: 0.6407337602868372
Energy: 0.6016107904520394
Energy: 0.6022943571271101
Energy: 0.5997689282411377
Energy: 0.6022943571223441
Energy: 0.6016429637053524
Energy: 0.6191732859850977
Energy: 0.6214246217090392
Energy: 0.6191732859885021
Energy: 0.6013226307671693
Energy: 0.6075801346292203
Energy: 0.6087652349135252
Energy: 0.6075801346237735
Energy: 0.6200004496374515
Energy: 0.6085735831877218
Energy: 0.6038132684449358
Energy: 0.6085735831890836
Energy: 0.5853863087553999
Energy: 0.6016555381099876
Energy: 0.6211563779526426
Energy: 0.6016555381120303
Energy: 0.5846446906918937
Energy: 0.6043829327361626
Energy: 0.6008280385720675
Energy: 0.6043829327354818
Energy: 0.5743356703944814
Energy: 0.5735372165986073
Energy: 0.5841060762419857
Energy: 0.5735372165952032
Energy: 0.5740691673548713
Energy: 0.5736187512483578
Energy: 0.5634249149342282
Energy: 0.5736187512463152
Energy: 0.562409599123252
Energy: 0.6080338366547963
Energy: 0.6074829977849326
Energy: 0.6080338366547963
Energy: 0.5835766949115233
Energy: 0.5735666396129725
Energy: 0.5741711280854992
Energy: 0.5735666396191003
Energy: 0.6092816787314475
Energy: 0.6082963307391479
Energy: 0.5746770496169387
Energy: 0.6082963307357436
Energy: 0.5751822024677373
Energy: 0.5736017979954854
Energy: 0.6005178005783266
Energy: 0.5736017979968471
Energy: 0.5745189003283792
Energy: 0.5756789697684065
Energy: 0.5765122075348269
Energy: 0.5756789697663639
Energy: 0.6006111345814863
Energy: 0.5735582178639301
Energy: 0.5738922703795671
Energy: 0.5735582178605257
Energy: 0.6011828735668339
Energy: 0.6187627269058829
Energy: 0.6000701784603741
Energy: 0.6187627269120105
Energy: 0.6001610054550253
Energy: 0.6057231836401018
Energy: 0.6157123797538688
Energy: 0.6057231836401018
Energy: 0.6011283085733016
Energy: 0.6077345634901364
Energy: 0.6083126747430327
Energy: 0.6077345634867323
Energy: 0.6192011547750258
Energy: 0.6076009211005071
Energy: 0.601016932678221
Energy: 0.6076009211025497
Energy: 0.584796449062896
Energy: 0.6016811749841803
Energy: 0.6216973517737169
Energy: 0.6016811749821377
Energy: 0.5841525190214214
Energy: 0.6030765385613877
Energy: 0.602623939884302
Energy: 0.6030765385641109
Energy: 0.5737817842061198
Energy: 0.5735853163326246
Energy: 0.5832876413142065
Energy: 0.5735853163312628
Energy: 0.5741863601882782
Energy: 0.573689180977
Energy: 0.5633335476111734
Energy: 0.573689180976319
Energy: 0.5623856810975078
Energy: 0.5753268758774662
Energy: 0.6081440885185483
Energy: 0.5753268758767853

minimum gb energy = 0.5623856810975078 eV
minimum distance =  2.54624696390482 Angstroms
sigma value = 25


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

Energy: 0.895451663460013
Energy: 0.6380570223811546
Energy: 0.6382904514468727
Energy: 0.5891236849524774
Energy: 0.6027710250727039
Energy: 0.6419483162695023
Energy: 0.6029568686099375
Energy: 0.6419483162710853
Energy: 0.6377922855706035
Energy: 0.6381319446215568
Energy: 0.6019761811639519
Energy: 0.6381319446215568
Energy: 0.6048868152315896
Energy: 0.6021784401685595
Energy: 0.6028099844684278
Energy: 0.6021784401677679
Energy: 0.6025471346334583
Energy: 0.6018779838289865
Energy: 0.6027133483004952
Energy: 0.6018779838297781
Energy: 0.6286260606801021
Energy: 0.6616335826933678
Energy: 0.6034157268802304
Energy: 0.6616335826949508
Energy: 0.6319039097166512
Energy: 0.6495919033318092
Energy: 0.6274330601221676
Energy: 0.6495919033349751
Energy: 0.6284473726427044
Energy: 0.643303111866331
Energy: 0.6213916381892003
Energy: 0.643303111866331
Energy: 0.6300268370321658
Energy: 0.6483632725058246
Energy: 0.6196284082306726
Energy: 0.648363272508199
Energy: 0.6285721252713264
Energy: 0.6469348016770956
Energy: 0.6025041200093388
Energy: 0.6469348016770956
Energy: 0.5848100593230017
Energy: 0.6020969373768703
Energy: 0.6011991567587508
Energy: 0.6020969373760788
Energy: 0.5848344417532398
Energy: 0.6022703679063776
Energy: 0.6025161331340168
Energy: 0.6022703679063776
Energy: 0.6373329065387392
Energy: 0.6386628247923701
Energy: 0.5844133237267013
Energy: 0.6386628247931616
Energy: 0.602654678632816
Energy: 0.6022188587210641
Energy: 0.6192026429529939
Energy: 0.6022188587218555
Energy: 0.6021004122240134
Energy: 0.638858921029782
Energy: 0.6402833688023527
Energy: 0.638858921029782
Energy: 0.62866040328732
Energy: 0.6025394806098452
Energy: 0.6045398174634201
Energy: 0.6025394806090538
Energy: 0.6055208349229599
Energy: 0.6049049513707971
Energy: 0.6027969879031557
Energy: 0.6049049513707971
Energy: 0.6030896983117845
Energy: 0.6022091682480721
Energy: 0.629427939105799
Energy: 0.6022091682480721
Energy: 0.6266766059910847
Energy: 0.6529080706800762
Energy: 0.6304579433754596
Energy: 0.6529080706800762
Energy: 0.6224412400689298
Energy: 0.6466688726493894
Energy: 0.6294092309357363
Energy: 0.6466688726478065
Energy: 0.6185282343844434
Energy: 0.6482355287549391
Energy: 0.6285408001912526
Energy: 0.6482355287557307
Energy: 0.6190868758951832
Energy: 0.64817924802939
Energy: 0.6287135458325943
Energy: 0.6481792480285984
Energy: 0.6007281461871049
Energy: 0.6021903389842029
Energy: 0.5845990785763926
Energy: 0.6021903389826201
Energy: 0.602666845388124
Energy: 0.6022461354644006
Energy: 0.5847599572143113
Energy: 0.6022461354636091
Energy: 0.584179768678006
Energy: 0.6044281155799964
Energy: 0.6394656632191076
Energy: 0.6044281155815795

minimum gb energy = 0.584179768678006 eV
minimum distance =  2.54207216234655 Angstroms
sigma value = 9


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

Energy: 0.8296621177784859
Energy: 0.6687915318302956
Energy: 0.6694052084715016
Energy: 0.6102125585559114
Energy: 0.6370192479542831
Energy: 0.6672866741259336
Energy: 0.6369151688439914
Energy: 0.6672866741268778
Energy: 0.6688013284616173
Energy: 0.6686021289345391
Energy: 0.66688272933194
Energy: 0.6686021289345391
Energy: 0.6342965734826785
Energy: 0.6372100148451634
Energy: 0.6364510853896035
Energy: 0.6372100148451634
Energy: 0.6339952929897509
Energy: 0.6375826929537127
Energy: 0.635520976313855
Energy: 0.6375826929556011
Energy: 0.6352771548219985
Energy: 0.6976027881677922
Energy: 0.638273220208622
Energy: 0.6976027881668481
Energy: 0.6618848072461369
Energy: 0.6910212253167912
Energy: 0.6365569505363498
Energy: 0.6910212253177355
Energy: 0.6372330435116161
Energy: 0.692206726813671
Energy: 0.6390412387696276
Energy: 0.6922067268146153
Energy: 0.6349944900051733
Energy: 0.6375353660331259
Energy: 0.6047029306492089
Energy: 0.6375353660321817
Energy: 0.6366163424093281
Energy: 0.6368748194790979
Energy: 0.6042662460264184
Energy: 0.6368748194819304
Energy: 0.6033447480468647
Energy: 0.6689514020898354
Energy: 0.6681136656575204
Energy: 0.6689514020888913
Energy: 0.6600571155951798
Energy: 0.6368474537169652
Energy: 0.6370405126381017
Energy: 0.6368474537197762
Energy: 0.6696389890729727
Energy: 0.6689063940608859
Energy: 0.6669756621609816
Energy: 0.6689063940656068
Energy: 0.633840613563244
Energy: 0.636669799623349
Energy: 0.6319790611414728
Energy: 0.636669799623349
Energy: 0.6339668389179096
Energy: 0.6352532535192711
Energy: 0.637683690427822
Energy: 0.6352532535221037
Energy: 0.6353795807058915
Energy: 0.6380231341277334
Energy: 0.6366908353314088
Energy: 0.638023134125845
Energy: 0.6604231389262954
Energy: 0.6936732512233521
Energy: 0.6363942949548778
Energy: 0.6936732512176871
Energy: 0.659229412796674
Energy: 0.6921361979404311
Energy: 0.6376356344041147
Energy: 0.6921361979432636
Energy: 0.6347949542511838
Energy: 0.6377148082432513
Energy: 0.6041198387257234
Energy: 0.6377148082441956
Energy: 0.6364928084713279
Energy: 0.637201295707064
Energy: 0.6040883255311866
Energy: 0.6372012957061197
Energy: 0.6032036445627852
Energy: 0.6343941577748422
Energy: 0.6693798805162853
Energy: 0.6343941577738981

minimum gb energy = 0.6032036445627852 eV
minimum distance =  2.55765089163463 Angstroms
sigma value = 25


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

Energy: 0.738210867157172
Energy: 0.702041270731943
Energy: 0.703002910460873
Energy: 0.6310333396516972
Energy: 0.6425687160029226
Energy: 0.6715311277173579
Energy: 0.6415083529751298
Energy: 0.6715311277173579
Energy: 0.7019625557739855
Energy: 0.7019440573078218
Energy: 0.699589115350694
Energy: 0.7019440573078218
Energy: 0.6275467263078617
Energy: 0.671985698791452
Energy: 0.6421377787108067
Energy: 0.671985698791452
Energy: 0.6393096432835841
Energy: 0.6918914953836514
Energy: 0.6441851225095909
Energy: 0.691891495384819
Energy: 0.6266416545902829
Energy: 0.6958552007332525
Energy: 0.6411949831379723
Energy: 0.6958552007332525
Energy: 0.6240226504258025
Energy: 0.6912894271878547
Energy: 0.6421678383847884
Energy: 0.6912894271866871
Energy: 0.6236287184787429
Energy: 0.6898815220073288
Energy: 0.6439116606859647
Energy: 0.6898815220084964
Energy: 0.7012414407879788
Energy: 0.7023515150411748
Energy: 0.7704598123006801
Energy: 0.7023515150434836
Energy: 0.6436740506401302
Energy: 0.6909543802281216
Energy: 0.6237910806294503
Energy: 0.6909543802257863
Energy: 0.699435391707651
Energy: 0.7023320709184144
Energy: 0.7070772502088211
Energy: 0.7023320709195822
Energy: 0.6252740178695513
Energy: 0.6732763616499831
Energy: 0.7143998889627415
Energy: 0.6732763616511507
Energy: 0.6416684303899489
Energy: 0.6950283464987262
Energy: 0.6389685211253006
Energy: 0.695028346499894
Energy: 0.6434688438819924
Energy: 0.6913184472534848
Energy: 0.6282766358967794
Energy: 0.6913184472523172
Energy: 0.6808201085079911
Energy: 0.6901794588204734
Energy: 0.6236181364701112
Energy: 0.6901794588216409
Energy: 0.6417730301516162
Energy: 0.6906137637357755
Energy: 0.623727100408456
Energy: 0.6906137637357755
Energy: 0.7002725372368469
Energy: 0.6283636065280599
Energy: 0.7034679801813384
Energy: 0.6283636065292276

minimum gb energy = 0.6236181364701112 eV
minimum distance =  2.61878155830142 Angstroms
sigma value = 17


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

Energy: 1.02959938407546
Energy: 0.7685780247045567
Energy: 0.7663938334329569
Energy: 0.7236409309179441
Energy: 0.6731859597463205
Energy: 0.6844843714666686
Energy: 0.6826074567186761
Energy: 0.6844843714666686
Energy: 0.684418246053879
Energy: 0.6823525067360551
Energy: 0.7195994481095966
Energy: 0.6823525067360551
Energy: 0.6816172918160107
Energy: 0.708418357550328
Energy: 0.6818786924938984
Energy: 0.7084183575496666
Energy: 0.6836173951329736
Energy: 0.73656613745201
Energy: 0.6426042001969823
Energy: 0.7365661374533327
Energy: 0.6834641956549237
Energy: 0.732224854631415
Energy: 0.6832694621422977
Energy: 0.7322248546327376
Energy: 0.7175300624800816
Energy: 0.6819634375958633
Energy: 0.6813910980668518
Energy: 0.6819634375952021
Energy: 0.723866935140052
Energy: 0.6828648702367941
Energy: 0.6570057602678284
Energy: 0.6828648702374553
Energy: 0.7705074013219142
Energy: 0.7678028393689235
Energy: 0.7202457956576999
Energy: 0.7678028393702461
Energy: 0.776220398052252
Energy: 0.7217969383738402
Energy: 0.6830297616724134
Energy: 0.7217969383731789
Energy: 0.68174176016732
Energy: 0.6575657838023262
Energy: 0.6543919795456064
Energy: 0.6575657838029875
Energy: 0.7216094646711885
Energy: 0.6745030256106871
Energy: 0.6583076064273364
Energy: 0.6745030256093645
Energy: 0.7202949956467006
Energy: 0.675905182847351
Energy: 0.6746984824746115
Energy: 0.6759051828480124
Energy: 0.7193396386097622
Energy: 0.6755813134238949
Energy: 0.6550601100032603
Energy: 0.6755813134265402
Energy: 0.7715539451464085
Energy: 0.7228585606349357
Energy: 0.723701956724185
Energy: 0.7228585606362583
Energy: 0.7672216700334358
Energy: 0.723249608632227
Energy: 0.7242342992396636
Energy: 0.7232496086328882
Energy: 0.723572215828757
Energy: 0.682473901051741
Energy: 0.6821211774032069
Energy: 0.6824739010524022
Energy: 0.7238487524284446
Energy: 0.6823527812815801
Energy: 0.6808111434062253
Energy: 0.6823527812809188
Energy: 0.6867517258568719
Energy: 0.7359199074212761
Energy: 0.6838988460612503
Energy: 0.7359199074212761
Energy: 0.7055460810920708
Energy: 0.735108398625018
Energy: 0.6838561726731806
Energy: 0.7351083986243567
Energy: 0.6831746316348114
Energy: 0.6842478633368851
Energy: 0.7220922106061871
Energy: 0.6842478633362238
Energy: 0.6825822872612571
Energy: 0.682608707186233
Energy: 0.7185124446050268
Energy: 0.682608707186233
Energy: 0.6822512089617365
Energy: 0.7229968436139487
Energy: 0.6829504659170383
Energy: 0.7229968436159327
Energy: 0.7265660030538887
Energy: 0.7678130856629926
Energy: 0.7671046877928392
Energy: 0.7678130856629926
Energy: 0.6579295996418615
Energy: 0.6755069558161715
Energy: 0.7228473859320025
Energy: 0.6755069558155101
Energy: 0.6576356178837496
Energy: 0.6748082244369091
Energy: 0.6818815212253436
Energy: 0.6748082244382317
Energy: 0.6534176907414876
Energy: 0.6602859191933517
Energy: 0.7220891361825554
Energy: 0.6602859191946743
Energy: 0.6582179524263712
Energy: 0.6742359570973953
Energy: 0.7194526137127104
Energy: 0.6742359570980565
Energy: 0.658610458856591
Energy: 0.6759586093803205
Energy: 0.7186431440290646
Energy: 0.6759586093803205
Energy: 0.7197947819241806
Energy: 0.7686133215994945
Energy: 0.7655470011834359
Energy: 0.7686133215988331

minimum gb energy = 0.6426042001969823 eV
minimum distance =  2.60858572189789 Angstroms
sigma value = 53


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

Energy: 0.9314000524759094
Energy: 0.7152965528407952
Energy: 0.7163766607082603
Energy: 0.6164159967924072
Energy: 0.781461048380878
Energy: 0.6485088517834243
Energy: 0.7142216722268083
Energy: 0.6485088517803794
Energy: 0.7147370157189762
Energy: 0.715381753218793
Energy: 0.729689204601128
Energy: 0.715381753218793
Energy: 0.7178307922280144
Energy: 0.649013070291062
Energy: 0.7226468598510595
Energy: 0.6490130702925846
Energy: 0.7166381773811029
Energy: 0.6489537654528854
Energy: 0.612846629861152
Energy: 0.6489537654544079
Energy: 0.7274191146344335
Energy: 0.650063028383247
Energy: 0.6175507621523724
Energy: 0.6500630283878144
Energy: 0.8232980750876894
Energy: 0.7154692617567321
Energy: 0.7137447943641126
Energy: 0.7154692617536873
Energy: 0.8065451415325713
Energy: 0.6493865041866607
Energy: 0.7239304786275588
Energy: 0.6493865041851381
Energy: 0.715230501830413
Energy: 0.7152533853283422
Energy: 0.7305778272657251
Energy: 0.7152533853252973
Energy: 0.7207336881311441
Energy: 0.649557568400257
Energy: 0.7277137754627369
Energy: 0.6495575684093917
Energy: 0.7147265140751277
Energy: 0.6521956146804605
Energy: 0.620137339146879
Energy: 0.6521956146880726
Energy: 0.7266674838063583
Energy: 0.648485386162013
Energy: 0.6087712861241936
Energy: 0.6484853861604906
Energy: 0.8066581342601145
Energy: 0.6499419036011534
Energy: 0.7230396106598108
Energy: 0.6499419035981086

minimum gb energy = 0.6087712861241936 eV
minimum distance =  2.60838415118522 Angstroms
sigma value = 9


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

Energy: 0.9723565283944285
Energy: 0.8012855320126725
Energy: 0.8023589633379857
Energy: 0.7740058204904492
Energy: 0.6870216415432716
Energy: 0.6707019014279678
Energy: 0.8065649460886765
Energy: 0.6707019014178252
Energy: 0.6740735860317039
Energy: 0.6710573741348648
Energy: 0.8237902101494419
Energy: 0.6710573741382456
Energy: 0.6718669070045512
Energy: 0.6708726973471497
Energy: 0.8565458332149668
Energy: 0.6708726973488401
Energy: 0.6693063059593617
Energy: 0.6690845223081133
Energy: 0.8527269730761184
Energy: 0.6690845223069863
Energy: 0.6700915059526057
Energy: 0.668956312779992
Energy: 0.8500060053599521
Energy: 0.6689563127833731
Energy: 0.7960696912697928
Energy: 0.7982512599185468
Energy: 0.8073878553682903
Energy: 0.7982512599146024
Energy: 0.767046014862604
Energy: 0.672425058247508
Energy: 0.7981369517668302
Energy: 0.6724250582390559
Energy: 0.7107004993072128
Energy: 0.7271997144689958
Energy: 0.7476579432104573
Energy: 0.7271997144661785
Energy: 0.695689888007486
Energy: 0.7323759370528677
Energy: 0.8014625000125462
Energy: 0.7323759370534312
Energy: 0.707793724655818
Energy: 0.7245420156091498
Energy: 0.7563692565165183
Energy: 0.724542015614221
Energy: 0.722226810476456
Energy: 0.7729568775560978
Energy: 0.8491875194174807
Energy: 0.7729568775560978
Energy: 0.7716509941473833
Energy: 0.7225871028400017
Energy: 0.723964750051679
Energy: 0.7225871028433826
Energy: 0.7975128902837173
Energy: 0.7211648883425502
Energy: 0.7249548601004041
Energy: 0.7211648883408597
Energy: 0.767344881981269
Energy: 0.7157618212969469
Energy: 0.727332333820599
Energy: 0.715761821293566
Energy: 0.768137114449239
Energy: 0.7674100543547798
Energy: 0.7283198684639497
Energy: 0.7674100543626685
Energy: 0.7479818618741298
Energy: 0.6640683538696194
Energy: 0.7231003909657507
Energy: 0.6640683538668019
Energy: 0.7536167329119249
Energy: 0.7537586269981785
Energy: 0.8518231272745156
Energy: 0.753758627000996
Energy: 0.7582378529051742
Energy: 0.6636086346644938
Energy: 0.686779077623945
Energy: 0.6636086346656207
Energy: 0.8760876515402924
Energy: 0.6895735168368157
Energy: 0.6898398949335272
Energy: 0.6895735168385061
Energy: 0.7752047540375764
Energy: 0.6919875481657348
Energy: 0.6904028792408586
Energy: 0.6919875481696792
Energy: 0.8529585737350123
Energy: 0.6863364098211192
Energy: 0.6855816799625115
Energy: 0.6863364098233731
Energy: 0.8496802475004998
Energy: 0.6863653271085495
Energy: 0.6915333519061623
Energy: 0.6863653271024024
Energy: 0.8136638173453612
Energy: 0.8015524238534256
Energy: 0.7961495358104248
Energy: 0.8015524238483543
Energy: 0.8025745799928519
Energy: 0.7425263228664053
Energy: 0.7710679770326898
Energy: 0.7425263228647148
Energy: 0.7199187660593925
Energy: 0.7254889777030719
Energy: 0.7058249964253285
Energy: 0.7254889776963099
Energy: 0.805838459411445
Energy: 0.6909313370509892
Energy: 0.6958704536289704
Energy: 0.6909313370509892
Energy: 0.761426690396054
Energy: 0.7286993699628231
Energy: 0.7042528454597482
Energy: 0.7286993699560613
Energy: 0.8490713792909201
Energy: 0.7258573249662736
Energy: 0.7154247079276979
Energy: 0.7258573249707815
Energy: 0.7167103743582819
Energy: 0.6969069384345262
Energy: 0.7947197043635825
Energy: 0.6969069384300185
Energy: 0.7066150456308411
Energy: 0.7046204750490864
Energy: 0.8225368597036015
Energy: 0.7046204750502134
Energy: 0.7113687144127321
Energy: 0.7010711100856702
Energy: 0.8004793273825559
Energy: 0.7010711100839799
Energy: 0.712815966590634
Energy: 0.7450226159792087
Energy: 0.7673594037265304
Energy: 0.7450226159769548
Energy: 0.7058600460410376
Energy: 0.6710568184631597
Energy: 0.7699392096997231
Energy: 0.6710568184625961
Energy: 0.8395613382900141
Energy: 0.798453602687679
Energy: 0.8002231375728238
Energy: 0.7984536026786633

minimum gb energy = 0.6636086346644938 eV
minimum distance =  2.57430247868503 Angstroms
sigma value = 73


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

Energy: 0.9604873999197711
Energy: 0.7697770168422705
Energy: 0.769849180560031
Energy: 0.7106997219081795
Energy: 0.6809952131792413
Energy: 0.6782564289219678
Energy: 0.7603177691143437
Energy: 0.6782564289219678
Energy: 0.6805900696428834
Energy: 0.6798201767524816
Energy: 0.7836911059606554
Energy: 0.6798201767515876
Energy: 0.6776419062816365
Energy: 0.6786170288296084
Energy: 0.8391297452365222
Energy: 0.6786170288305023
Energy: 0.6792780940490699
Energy: 0.6799644448045608
Energy: 0.8136764427830296
Energy: 0.6799644448054548
Energy: 0.7188005958879128
Energy: 0.6799751605371568
Energy: 0.7994561682019469
Energy: 0.6799751605380508
Energy: 0.7551490650980692
Energy: 0.7808361431658295
Energy: 0.7915236625260621
Energy: 0.7808361431640414
Energy: 0.717048485250797
Energy: 0.7439886363538106
Energy: 0.780404576165518
Energy: 0.7439886363538106
Energy: 0.7113762582497624
Energy: 0.7454011197230939
Energy: 0.7816478790293342
Energy: 0.7454011197213058
Energy: 0.7160804616730998
Energy: 0.6967069118444612
Energy: 0.7807943751795667
Energy: 0.6967069118471432
Energy: 0.7028089175191291
Energy: 0.6625837455477164
Energy: 0.6706399857763259
Energy: 0.6625837455459284
Energy: 0.7015958694752646
Energy: 0.6633035674260709
Energy: 0.8247902983865126
Energy: 0.663303567427859
Energy: 0.7862913833010915
Energy: 0.7059651257058805
Energy: 0.7030214050836355
Energy: 0.7059651257085624
Energy: 0.7831786275985292
Energy: 0.7061671760472878
Energy: 0.7028433218301645
Energy: 0.7061671760481818
Energy: 0.7913209824539602
Energy: 0.7351427866826222
Energy: 0.702206350351625
Energy: 0.7351427866808342
Energy: 0.8333981413004042
Energy: 0.7031739580130307
Energy: 0.702191565214638
Energy: 0.7031739580130307
Energy: 0.8346449911941565
Energy: 0.7389540440730834
Energy: 0.7029770583979087
Energy: 0.7389540440721893
Energy: 0.7711113566712732
Energy: 0.7659542948642134
Energy: 0.7552135947808399
Energy: 0.7659542948624254
Energy: 0.7576997722705386
Energy: 0.7219408172484959
Energy: 0.7539589508333162
Energy: 0.7219408172484959
Energy: 0.7745994329548376
Energy: 0.7217481620603476
Energy: 0.7573996307012509
Energy: 0.7217481620621357
Energy: 0.7586567373372903
Energy: 0.7229205226355779
Energy: 0.7101022392599095
Energy: 0.722920522634684
Energy: 0.7981410186027893
Energy: 0.7547554541270309
Energy: 0.7552280923260193
Energy: 0.754755454126137

minimum gb energy = 0.6625837455459284 eV
minimum distance =  2.55909988855084 Angstroms
sigma value = 7


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

Energy: 1.1127456739510637
Energy: 0.7732382729969292
Energy: 0.7729936711934734
Energy: 0.6889582061377655
Energy: 0.6808071677488531
Energy: 0.6818559538543401
Energy: 0.7531580441117055
Energy: 0.6818559538518114
Energy: 0.6781407859582045
Energy: 0.6809789833578161
Energy: 0.7532907341478692
Energy: 0.6809789833552875
Energy: 0.6794653006410364
Energy: 0.6802520864589816
Energy: 0.8223698896094945
Energy: 0.68025208645266
Energy: 0.6795725531034663
Energy: 0.679692734759488
Energy: 0.8096222222398864
Energy: 0.6796927347639132
Energy: 0.6808861500976018
Energy: 0.6806772632186266
Energy: 0.8079842347218393
Energy: 0.6806772632173623
Energy: 0.7532523795594916
Energy: 0.6796191424087691
Energy: 0.6806226684101334
Energy: 0.6796191424024474
Energy: 0.7507152865444964
Energy: 0.6802833385709915
Energy: 0.6796374824682627
Energy: 0.6802833385722559
Energy: 0.8223438482427582
Energy: 0.6803916571640458
Energy: 0.6795991303012674
Energy: 0.6803916571684709
Energy: 0.8229749767743637
Energy: 0.6812571881673367
Energy: 0.6785762173139501
Energy: 0.6812571881667046
Energy: 0.7540780773825427
Energy: 0.7238919590686087
Energy: 0.6806728275657079
Energy: 0.7238919590673443
Energy: 0.753072849974039
Energy: 0.7514175639090057
Energy: 0.7495876502280607
Energy: 0.751417563906477
Energy: 0.7487407458304179
Energy: 0.7192544038822289
Energy: 0.7512765163940291
Energy: 0.7192544038828611
Energy: 0.7490683421726134
Energy: 0.7192357471894862
Energy: 0.687544424985384
Energy: 0.7192357471875895
Energy: 0.7512591896461764
Energy: 0.7191037799827669
Energy: 0.686713339978057
Energy: 0.7191037799808705
Energy: 0.6876682714028591
Energy: 0.7493762699012392
Energy: 0.7528868854766433
Energy: 0.7493762699062965
Energy: 0.6879679797092049
Energy: 0.7229297098602077
Energy: 0.7537262661471561
Energy: 0.7229297098602077
Energy: 0.6788425262999663
Energy: 0.6813280496774464
Energy: 0.7556054170699751
Energy: 0.6813280496793428
Energy: 0.6796662175241024
Energy: 0.680613231072434
Energy: 0.8230822482488681
Energy: 0.6806132310686408
Energy: 0.6799069252380925
Energy: 0.6802470721214184
Energy: 0.6889974307238751
Energy: 0.6802470721157579
Energy: 0.6806446085794018
Energy: 0.6796673261657896
Energy: 0.8114764987868226
Energy: 0.679667326170847
Energy: 0.7496193728345375
Energy: 0.6799805678865599
Energy: 0.6808488043471401
Energy: 0.6799805678903529
Energy: 0.7502530931043362
Energy: 0.6796359517038605
Energy: 0.6785434585558441
Energy: 0.679635951701964
Energy: 0.8223091859891937
Energy: 0.6801221104503578
Energy: 0.6795771341662563
Energy: 0.6801221104497256
Energy: 0.8201150900567195
Energy: 0.6811401146906378
Energy: 0.6785946147223573
Energy: 0.681140114691902
Energy: 0.8069008839100276
Energy: 0.6813479690051875
Energy: 0.6808386613210718
Energy: 0.6813479690058196
Energy: 0.7729687340894947
Energy: 0.7733295851390463
Energy: 0.9667068490803992
Energy: 0.7733295851428106
Energy: 0.7479238309180625
Energy: 0.7193699176164442
Energy: 0.7537487264041238
Energy: 0.7193699176151799
Energy: 0.7530366378011863
Energy: 0.7195642122448312
Energy: 0.7486741717256374
Energy: 0.7195642122486244
Energy: 0.750182564479444
Energy: 0.7220991263740362
Energy: 0.6872286012239024
Energy: 0.722099126377829
Energy: 0.687739887722546
Energy: 0.7495642886616247
Energy: 0.7498305898325368
Energy: 0.7495642886609926

minimum gb energy = 0.6781407859582045 eV
minimum distance =  2.57167145091967 Angstroms
sigma value = 29


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

Energy: 0.6316666976372953
Energy: 0.7471826301481523
Energy: 0.7129982403390799
Energy: 0.633655619875667
Energy: 0.6748896849980893
Energy: 0.6885159436998542
Energy: 0.6469918593368683
Energy: 0.688515943699634
Energy: 0.6441913791815371
Energy: 0.6764627221744114
Energy: 0.6338143807685317
Energy: 0.6764627221741912
Energy: 0.6382603677788364
Energy: 0.6428765025080462
Energy: 0.6461491826928432
Energy: 0.6428765025084621
Energy: 0.642300282436036
Energy: 0.6468345905405175
Energy: 0.6364116732053838
Energy: 0.6468345905407379
Energy: 0.6467407068636398
Energy: 0.6834046264446509
Energy: 0.6378206136327595
Energy: 0.6834046264437946
Energy: 0.6339433467676412
Energy: 0.6751845199343793
Energy: 0.6450505745325673
Energy: 0.6751845199324464
Energy: 0.646412674200872
Energy: 0.6473104049425481
Energy: 0.6417844304133641
Energy: 0.6473104049438448
Energy: 0.6361105379065478
Energy: 0.6445803535939619
Energy: 0.6488118185285361
Energy: 0.6445803535963353

minimum gb energy = 0.6316666976372953 eV
minimum distance =  2.58347347599489 Angstroms
sigma value = 5


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

Energy: 0.8747730140226295
Energy: 0.6350961058724436
Energy: 0.7327668119619883
Energy: 0.6139129241126189
Energy: 0.6773661691653259
Energy: 0.634821309808612
Energy: 0.7274644765593465
Energy: 0.6348213098080149
Energy: 0.728860729767036
Energy: 0.6827636950681479
Energy: 0.7460184562561192
Energy: 0.6827636950675507
Energy: 0.6504374893348763
Energy: 0.6874268674462115
Energy: 0.7224483900396877
Energy: 0.6874268674468087
Energy: 0.7388148618531005
Energy: 0.6325666477984947
Energy: 0.7432386657969873
Energy: 0.6325666477984947
Energy: 0.6329777311496718
Energy: 0.6354830672366435
Energy: 0.7430403563068557
Energy: 0.6354830672378378
Energy: 0.6324241047657392
Energy: 0.6323570766050611
Energy: 0.7226357065240516
Energy: 0.6323570766056583
Energy: 0.639880969578173
Energy: 0.6350547072560276
Energy: 0.8041639718627557
Energy: 0.6350547072554303
Energy: 0.6541213657934128
Energy: 0.6474694531057145
Energy: 0.7954174449578248
Energy: 0.6474694531075059
Energy: 0.7616068670175319
Energy: 0.616224938116623
Energy: 0.6211251647943588
Energy: 0.616224938116623
Energy: 0.6538470438330313
Energy: 0.6154625770904474
Energy: 0.6175017884643933
Energy: 0.6154625770898503
Energy: 0.8305227517655495
Energy: 0.6144222643748216
Energy: 0.6147611485153546
Energy: 0.6144222643736275
Energy: 0.8355683730856872
Energy: 0.6146511609618395
Energy: 0.6153844344077453
Energy: 0.6146511609612422
Energy: 0.6336873617898074
Energy: 0.6445686635872214
Energy: 0.7439982475562952
Energy: 0.6445686635866242
Energy: 0.6336575680294361
Energy: 0.6321721089434257
Energy: 0.743625174886483
Energy: 0.6321721089434257
Energy: 0.6357943470758141
Energy: 0.6335493944475072
Energy: 0.721679545260398
Energy: 0.6335493944457158
Energy: 0.6336026806491646
Energy: 0.6333949417117964
Energy: 0.6500157431281514
Energy: 0.6333949417129908
Energy: 0.7533676396149002
Energy: 0.6360447291448782
Energy: 0.6502895902914351
Energy: 0.6360447291460725
Energy: 0.7304839553060806
Energy: 0.6840226942076562
Energy: 0.731542876213043
Energy: 0.684022694206462
Energy: 0.7236461190117991
Energy: 0.6857316577672549
Energy: 0.6486746919484483
Energy: 0.6857316577660605
Energy: 0.7437563155491662
Energy: 0.6382507801307148
Energy: 0.7228724857848563
Energy: 0.6382507801307148
Energy: 0.7426258505043569
Energy: 0.6327270853044032
Energy: 0.6327338472252775
Energy: 0.6327270853044032
Energy: 0.72208682321531
Energy: 0.6324548763153572
Energy: 0.6334156154147121
Energy: 0.6324548763135658
Energy: 0.8029929303766642
Energy: 0.6337849123518184
Energy: 0.6367827041542174
Energy: 0.6337849123506512
Energy: 0.8307667487536051
Energy: 0.6450493961845342
Energy: 0.6532573671452487
Energy: 0.6450493961857284
Energy: 0.6172181504129872
Energy: 0.6168971226079821
Energy: 0.7616625950108301
Energy: 0.6168971226073849
Energy: 0.6193866703176502
Energy: 0.6164095168232938
Energy: 0.6541238221133031
Energy: 0.6164095168250852
Energy: 0.6149628234778859
Energy: 0.616137017854661
Energy: 0.6766667086422259
Energy: 0.6161370178540639
Energy: 0.615127726648687
Energy: 0.615393151340116
Energy: 0.7920399545949952
Energy: 0.6153931513395188
Energy: 0.7437331629191979
Energy: 0.6442624338034282
Energy: 0.652404341644386
Energy: 0.6442624338040253
Energy: 0.7438545340802856
Energy: 0.6327047055347284
Energy: 0.6340443805995829
Energy: 0.6327047055335341
Energy: 0.7216005034719908
Energy: 0.6336241048254523
Energy: 0.633251211712123
Energy: 0.6336241048260496
Energy: 0.6508701149990634
Energy: 0.6321666040408352
Energy: 0.63290956134321
Energy: 0.6321666040402382

minimum gb energy = 0.6139129241126189 eV
minimum distance =  2.57030229385868 Angstroms
sigma value = 1


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

Energy: 0.9312775048102258
Energy: 0.6011803779078925
Energy: 0.7090241794748523
Energy: 0.577970714089393
Energy: 0.6022065618174146
Energy: 0.6018249177576773
Energy: 0.7297515621655588
Energy: 0.6018249177576773
Energy: 0.7303005225402248
Energy: 0.6641071563522886
Energy: 0.7324364500786359
Energy: 0.6641071563522886
Energy: 0.6190612198029665
Energy: 0.6647902471541981
Energy: 0.7234767542517472
Energy: 0.6647902471566751
Energy: 0.6008089215036865
Energy: 0.5995432323913757
Energy: 0.7275929111083487
Energy: 0.5995432323955041
Energy: 0.6003221210114335
Energy: 0.6017604451849379
Energy: 0.7284258259603742
Energy: 0.6017604451865892
Energy: 0.5977906548646629
Energy: 0.5990522056749017
Energy: 0.724243803592735
Energy: 0.5990522056724246
Energy: 0.6046031718740821
Energy: 0.6042954150936037
Energy: 0.8233040391041855
Energy: 0.604295415092778
Energy: 0.7257628459468032
Energy: 0.6243895035899909
Energy: 0.8226886086580283
Energy: 0.6243895035932935
Energy: 0.7320130719096524
Energy: 0.6038501335203631
Energy: 0.6165675846012173
Energy: 0.6038501335187119
Energy: 0.7245515340924618
Energy: 0.599352787704139
Energy: 0.5983110557961265
Energy: 0.5993527877049646
Energy: 0.8208705097871561
Energy: 0.6055397723519406
Energy: 0.6005091869172468
Energy: 0.6055397723469866
Energy: 0.8204756074149608
Energy: 0.599629158097112
Energy: 0.6002339869081342
Energy: 0.5996291580979377
Energy: 0.7227875935885897
Energy: 0.664323467503127
Energy: 0.731100464778622
Energy: 0.6643234675039527
Energy: 0.6207819365475835
Energy: 0.6633002212580478
Energy: 0.7307208013345475
Energy: 0.6633002212530937
Energy: 0.6180940931939447
Energy: 0.6007979046700064
Energy: 0.7233778795960948
Energy: 0.6007979046716576
Energy: 0.5996065649602368
Energy: 0.6002127888751972
Energy: 0.729755368776
Energy: 0.6002127888710689
Energy: 0.6042904528986042
Energy: 0.6033724039729267
Energy: 0.7214600882450802
Energy: 0.6033724039721011
Energy: 0.5984629207812284
Energy: 0.5996600488641737
Energy: 0.8227563436808433
Energy: 0.599660048858394
Energy: 0.6006036490511444
Energy: 0.607612438583405
Energy: 0.822625217645789
Energy: 0.6076124385817537
Energy: 0.7282453189999262
Energy: 0.6209391384932713
Energy: 0.6010668599448904
Energy: 0.620939138496574
Energy: 0.7298977568759029
Energy: 0.6009000220140454
Energy: 0.6036814273669014
Energy: 0.600900022019825
Energy: 0.7235043460023184
Energy: 0.5995642427180098
Energy: 0.5994715214362242
Energy: 0.5995642427180098
Energy: 0.8202731226481563
Energy: 0.5998347752868409
Energy: 0.5997724127982044
Energy: 0.5998347752868409

minimum gb energy = 0.577970714089393 eV
minimum distance =  2.57565202379649 Angstroms
sigma value = 17


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

Energy: 0.9985813258638269
Energy: 0.5993656711917282
Energy: 0.713794625902839
Energy: 0.5836292561755404
Energy: 0.6223300904115997
Energy: 0.5978173771701998
Energy: 0.6805787557072994
Energy: 0.5978173771701998
Energy: 0.7437216357996776
Energy: 0.6031696705935232
Energy: 0.6989543908919615
Energy: 0.6031696705960747
Energy: 0.7888459336539548
Energy: 0.6249650191197657
Energy: 0.6748156947581423
Energy: 0.6249650191187449
Energy: 0.6622458367062557
Energy: 0.5823759243015748
Energy: 0.7917228143262737
Energy: 0.5823759242980026
Energy: 0.5828524255173314
Energy: 0.5818065512194808
Energy: 0.7726889969608993
Energy: 0.5818065512179499
Energy: 0.5830421256270145
Energy: 0.5825317380270908
Energy: 0.6095033032552754
Energy: 0.5825317380281114
Energy: 0.5885085516456211
Energy: 0.583658311686692
Energy: 0.7788287477578902
Energy: 0.5836583116861815
Energy: 0.7654439823051998
Energy: 0.5839690241840213
Energy: 0.7427909302395779
Energy: 0.5839690241860626
Energy: 0.7013353858948066
Energy: 0.6275433198855149
Energy: 0.6880161954997948
Energy: 0.6275433198834736
Energy: 0.7634167020505134
Energy: 0.5956024882097934
Energy: 0.606292875600451
Energy: 0.5956024882087728
Energy: 0.7699269846082046
Energy: 0.5990475980126935
Energy: 0.6747029917208046
Energy: 0.599047598013204
Energy: 0.7760682070902046
Energy: 0.5950868676608235
Energy: 0.5963285448552503
Energy: 0.5950868676608235
Energy: 0.6951055153080813
Energy: 0.5956135093053385
Energy: 0.5969137800534073
Energy: 0.5956135093048281
Energy: 0.7836986631417919
Energy: 0.5968127162033722
Energy: 0.6026405001809654
Energy: 0.5968127162059239
Energy: 0.7805896091155698
Energy: 0.5955533723263505
Energy: 0.598505062731059
Energy: 0.5955533723222679
Energy: 0.5962596151213087
Energy: 0.6003776657611725
Energy: 0.6896840466712016
Energy: 0.6003776657688273
Energy: 0.5955606353852977
Energy: 0.5951827866804502
Energy: 0.7671446057424851
Energy: 0.595182786681471
Energy: 0.606553988331285
Energy: 0.5976269724238268
Energy: 0.6766082212070889
Energy: 0.5976269724243372
Energy: 0.5969677866623506
Energy: 0.5952915614560153
Energy: 0.6836081990289816
Energy: 0.5952915614524431
Energy: 0.6794948515898658
Energy: 0.596726668642842
Energy: 0.5962001248949912
Energy: 0.5967266686392698
Energy: 0.6991683986318253
Energy: 0.6010168356708018
Energy: 0.7460221200712612
Energy: 0.6010168356708018
Energy: 0.6747475837990881
Energy: 0.6236343090064894
Energy: 0.7848300749320756
Energy: 0.6236343090069998
Energy: 0.7960408609766682
Energy: 0.5829691785281513
Energy: 0.6617964119001043
Energy: 0.5829691785286617
Energy: 0.7703153153832271
Energy: 0.5818953325232552
Energy: 0.5819628041250472
Energy: 0.5818953325247861
Energy: 0.6754935774284747
Energy: 0.5832239467238401
Energy: 0.5858837111808295
Energy: 0.583223946724861
Energy: 0.5885341428062236
Energy: 0.5839145229722162
Energy: 0.5881560607381007
Energy: 0.5839145229737471
Energy: 0.6766988537565175
Energy: 0.583393871289372
Energy: 0.7681136105631523
Energy: 0.5833938712903927
Energy: 0.6816087324831527
Energy: 0.6264022693448015
Energy: 0.6996865725412954
Energy: 0.6264022693437808
Energy: 0.6073102185221899
Energy: 0.5950574410229943
Energy: 0.7622326236883119
Energy: 0.5950574410270768
Energy: 0.6742632239489863
Energy: 0.5957484911912408
Energy: 0.7721844186378821
Energy: 0.5957484911917512
Energy: 0.5955937727725726
Energy: 0.5955366607830569
Energy: 0.7730715874954143
Energy: 0.5955366607820364
Energy: 0.5953907797729358
Energy: 0.5950427206358829
Energy: 0.6960422034170458
Energy: 0.5950427206353726
Energy: 0.6020983725721497
Energy: 0.5979455769731603
Energy: 0.7856486862883124
Energy: 0.5979455769706087
Energy: 0.6996214327664027
Energy: 0.6085891371055578
Energy: 0.7947076316886376
Energy: 0.6085891371035165
Energy: 0.8976352870134289
Energy: 0.5991962595176475
Energy: 0.5963940434899357
Energy: 0.5991962595196888
Energy: 0.7643061109563904
Energy: 0.5951224787789973
Energy: 0.5958917935919867
Energy: 0.5951224787795075
Energy: 0.7438657074406844
Energy: 0.598571864265579
Energy: 0.5960527662179621
Energy: 0.5985718642645582

minimum gb energy = 0.5818065512179499 eV
minimum distance =  2.56563636746784 Angstroms
sigma value = 89


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

Energy: 1.0533794020021483
Energy: 0.5402956588441963
Energy: 0.5424849054336212
Energy: 0.557961326787916
Energy: 0.6475248816685664
Energy: 0.5887294134237179
Energy: 0.5418931485342842
Energy: 0.5887294134237179
Energy: 0.5360054359010658
Energy: 0.5887864174235345
Energy: 0.5543802357202294
Energy: 0.5887864174248698
Energy: 0.5372034112061251
Energy: 0.5900424853714532
Energy: 0.5409945978772183
Energy: 0.5900424853727885
Energy: 0.5397439479228947
Energy: 0.5398094711282228
Energy: 0.5496254400726662
Energy: 0.5398094711295581
Energy: 0.540872954933858
Energy: 0.5394512569623413
Energy: 0.548952226963612
Energy: 0.5394512569623413
Energy: 0.5403446967722472
Energy: 0.5389986779072117
Energy: 0.5419641666536168
Energy: 0.5389986779072117
Energy: 0.5418820076682593
Energy: 0.5421163489515165
Energy: 0.5356473986780242
Energy: 0.5421163489515165
Energy: 0.5436864286567792
Energy: 0.5417391838108102
Energy: 0.5450291563085827
Energy: 0.5417391838081397
Energy: 0.5559462956384658
Energy: 0.591664794537338
Energy: 0.5431497125582738
Energy: 0.591664794537338
Energy: 0.5419762633537851
Energy: 0.5833176028154474
Energy: 0.5348196616829828
Energy: 0.5833176028020948
Energy: 0.5485219859147646
Energy: 0.5414342666084863
Energy: 0.5422036984285261
Energy: 0.5414342666098215
Energy: 0.5508620656690992
Energy: 0.5408136333448549
Energy: 0.5414751237891485
Energy: 0.5408136333448549
Energy: 0.5412996869732819
Energy: 0.538763230417855
Energy: 0.5389775307138897
Energy: 0.5387632304165199
Energy: 0.5359377429119566
Energy: 0.5400649632978698
Energy: 0.5437973312869648
Energy: 0.5400649632992051

minimum gb energy = 0.5348196616829828 eV
minimum distance =  2.59538472396728 Angstroms
sigma value = 13


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

Energy: 0.9239831677776822
Energy: 0.5203873252934141
Energy: 0.6622569157154841
Energy: 0.5140904911147368
Energy: 0.5628327475765043
Energy: 0.5175464549043335
Energy: 0.6114486812552276
Energy: 0.5175464549088108
Energy: 0.5346683221745832
Energy: 0.5162633006173277
Energy: 0.6163859015277142
Energy: 0.5162633006178873
Energy: 0.7071408043764782
Energy: 0.5193613989437962
Energy: 0.6055231566866227
Energy: 0.5193613989437962
Energy: 0.6094359181384362
Energy: 0.5175639948735914
Energy: 0.6257603734040607
Energy: 0.5175639948735914
Energy: 0.607187323743936
Energy: 0.5170168679120434
Energy: 0.6135559293745015
Energy: 0.5170168679081258
Energy: 0.6072414502797807
Energy: 0.515956627348879
Energy: 0.6036854069352303
Energy: 0.5159566273427229
Energy: 0.6060985724028721
Energy: 0.515420812521058
Energy: 0.61576371964368
Energy: 0.515420812531132
Energy: 0.5149530717736661
Energy: 0.5172651411405741
Energy: 0.6077167970560012
Energy: 0.5172651411517674
Energy: 0.5150253607818033
Energy: 0.5164491220235592
Energy: 0.6064975482695466
Energy: 0.5164491220218803
Energy: 0.5173046861904579
Energy: 0.5165758162264985
Energy: 0.9242274585491864
Energy: 0.5165758162225808
Energy: 0.7151043484853892
Energy: 0.5156899563767187
Energy: 0.6070905393105941
Energy: 0.5156899563862328
Energy: 0.618805871564834
Energy: 0.5418644298512508
Energy: 0.6032515228629891
Energy: 0.5418644298462139
Energy: 0.6056930253056932
Energy: 0.5436826506411836
Energy: 0.7079917029540047
Energy: 0.5436826506344676
Energy: 0.6130721365443856
Energy: 0.5179003500212882
Energy: 0.6062569339165326
Energy: 0.517900350023527
Energy: 0.610488555316213
Energy: 0.5165416701952973
Energy: 0.518642722189953
Energy: 0.5165416702025729
Energy: 0.7100638553413272
Energy: 0.5168114545106274
Energy: 0.5182528212637757
Energy: 0.516811454514545
Energy: 0.5180568833516339
Energy: 0.5157085442435185
Energy: 0.5175753428115555
Energy: 0.5157085442435185
Energy: 0.6970136314281045
Energy: 0.5188077881234319
Energy: 0.602369572102944
Energy: 0.5188077881228721
Energy: 0.716285290658756
Energy: 0.5152339636717462
Energy: 0.6143707550919215
Energy: 0.5152339636767831
Energy: 0.7069500468178498
Energy: 0.5161919208848712
Energy: 0.6033744434804263
Energy: 0.5161919208876696
Energy: 0.716032659775121
Energy: 0.5506423778679705
Energy: 0.6024353512630414
Energy: 0.5506423778690899
Energy: 0.6098374831579385
Energy: 0.5186415991334347
Energy: 0.7282197076743601
Energy: 0.5186415991272783
Energy: 0.5198012439588137
Energy: 0.515287224731747
Energy: 0.6067905757360756
Energy: 0.5152872247423808
Energy: 0.6040421401651476
Energy: 0.5162272426929986
Energy: 0.6119403962683628
Energy: 0.5162272426913196
Energy: 0.5159474295592489
Energy: 0.5153476392138804
Energy: 0.6086374796601689
Energy: 0.5153476392055364
Energy: 0.5158698476264728
Energy: 0.515428623078986
Energy: 0.7121657411814035
Energy: 0.5154286230924178
Energy: 0.5158656382945296
Energy: 0.5181033371176665
Energy: 0.5211125025615936
Energy: 0.5181033371120699
Energy: 0.7125470450413942
Energy: 0.517179107211706
Energy: 0.6896878042223074
Energy: 0.5171791072089077
Energy: 0.6135936217111936
Energy: 0.543972056480434
Energy: 0.7105669669049076
Energy: 0.5439720564826727
Energy: 0.6064812990816532
Energy: 0.5412004892026785
Energy: 0.7075709591497582
Energy: 0.5412004892077155
Energy: 0.6108831787337174
Energy: 0.5162590826116256
Energy: 0.7101023343899445
Energy: 0.5162590826093869
Energy: 0.6140751699391592
Energy: 0.5178230167365075
Energy: 0.5264585296156201
Energy: 0.5178230167365075
Energy: 0.7108172487521565
Energy: 0.5156720584308239
Energy: 0.515749056490948
Energy: 0.5156720584375397
Energy: 0.6834693244021192
Energy: 0.5161717357995379
Energy: 0.5194259108699428
Energy: 0.5161717357956201

minimum gb energy = 0.5140904911147368 eV
minimum distance =  2.59315796083604 Angstroms
sigma value = 37


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

Energy: 0.8981284305942516
Energy: 0.4845507887952427
Energy: 0.4844634623703483
Energy: 0.47616988196513205
Energy: 0.7696633696011602
Energy: 0.4830335798045538
Energy: 0.6372252911051274
Energy: 0.4830335798045538
Energy: 0.6990053643302216
Energy: 0.48216601475666065
Energy: 0.6339830705917334
Energy: 0.48216601475473486
Energy: 0.6993732423389434
Energy: 0.5370657073740511
Energy: 0.6332321475494718
Energy: 0.5370657073730882
Energy: 0.6176909937261237
Energy: 0.46992962073490624
Energy: 0.7013370699285616
Energy: 0.4699296207329805
Energy: 0.5482191932712367
Energy: 0.46991666287882866
Energy: 0.6221203209771555
Energy: 0.46991666287690287
Energy: 0.5533873861035667
Energy: 0.46988637379403275
Energy: 0.7633044178824335
Energy: 0.46988637379595855
Energy: 0.5547250613553416
Energy: 0.46890156535740724
Energy: 0.7058688101046704
Energy: 0.4689015653583701
Energy: 0.5461708900203436
Energy: 0.47065705813697656
Energy: 0.7028089725163048
Energy: 0.47065705813697656
Energy: 0.5459795283410548
Energy: 0.467088499314
Energy: 0.7624745725600116
Energy: 0.4670884993159257
Energy: 0.5790442895239987
Energy: 0.5786914921541646
Energy: 0.7947937534254518
Energy: 0.5786914921570533
Energy: 0.695423988115889
Energy: 0.46698499824801537
Energy: 0.7625087039964561
Energy: 0.46698499824801537
Energy: 0.6972144671221667
Energy: 0.4666016429041959
Energy: 0.7767241765426836
Energy: 0.4666016429051588
Energy: 0.6953969146977418
Energy: 0.518742924234561
Energy: 0.6998916902646096
Energy: 0.5187429242326351
Energy: 0.7013370699304873
Energy: 0.5177978209814706
Energy: 0.6214160055629196
Energy: 0.517797820978582
Energy: 0.7657434933802504
Energy: 0.5178208753897025
Energy: 0.548518674161222
Energy: 0.5178208753916281
Energy: 0.7668408093971447
Energy: 0.5170036078563808
Energy: 0.5532617744417153
Energy: 0.5170036078573437
Energy: 0.7058688107957124
Energy: 0.48948297635604443
Energy: 0.4890037413268522
Energy: 0.48948297635508153
Energy: 0.7028089727136078
Energy: 0.48454023491421866
Energy: 0.4830550092915905
Energy: 0.48454023491421866
Energy: 0.6980311797228437
Energy: 0.48365959094422317
Energy: 0.48847938388304135
Energy: 0.48365959094229743

minimum gb energy = 0.4666016429041959 eV
minimum distance =  2.58716478143983 Angstroms
sigma value = 25


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

Energy: 1.0391307157118133
Energy: 0.42988158895838646
Energy: 0.5941808222943614
Energy: 0.4292815821510488
Energy: 0.7690163184224581
Energy: 0.4272119453940569
Energy: 0.5519723302006542
Energy: 0.4272119453978163
Energy: 0.8143564932533132
Energy: 0.4265920171457761
Energy: 0.5507712642857403
Energy: 0.4265920171472798
Energy: 0.7192345069894401
Energy: 0.42764538562030185
Energy: 0.5482241694371619
Energy: 0.42764538562030185
Energy: 0.7728265642869954
Energy: 0.4683755327661247
Energy: 0.7723937663478652
Energy: 0.4683755327631172
Energy: 0.7153491451908189
Energy: 0.46645499763849796
Energy: 0.769609100748042
Energy: 0.4664549976377461
Energy: 0.7187219358698325
Energy: 0.4247390325407842
Energy: 0.6659608231652219
Energy: 0.42473903254003237
Energy: 0.5448915608670555
Energy: 0.4197339904206089
Energy: 0.8102496473966759
Energy: 0.41973399041985704
Energy: 0.5402262653460345
Energy: 0.42302517228781905
Energy: 0.6631773466747628
Energy: 0.42302517228405967
Energy: 0.54103036741093
Energy: 0.4236084881038614
Energy: 0.8583386174090792
Energy: 0.42360848810762086
Energy: 0.4823402950536499
Energy: 0.4237508009420999
Energy: 0.8818913434766826
Energy: 0.4237508009360848
Energy: 0.48314323996959385
Energy: 0.4208933528196223
Energy: 0.8579877481074806
Energy: 0.4208933528166148
Energy: 0.485116647399152
Energy: 0.42078248853332145
Energy: 0.6633713981578965
Energy: 0.42078248853332145
Energy: 0.49073774622500727
Energy: 0.42042473687679943
Energy: 0.8563293714938734
Energy: 0.420424736879807
Energy: 0.6029212981650327
Energy: 0.41904536948888915
Energy: 0.6676052939618173
Energy: 0.4190453694903929
Energy: 0.6033742049309029
Energy: 0.4199851423721361
Energy: 0.8151130110954219
Energy: 0.41998514236912854
Energy: 0.6657549231991177
Energy: 0.4204220195776672
Energy: 0.8173745821349049
Energy: 0.4204220195776672
Energy: 0.6026369377499644
Energy: 0.4654170932342652
Energy: 0.6693521931735115
Energy: 0.46541709323501707
Energy: 0.7571625062464757
Energy: 0.45879098447978434
Energy: 0.7175481931824668
Energy: 0.45879098447978434
Energy: 0.7695092373319974
Energy: 0.4655023709566583
Energy: 0.7155266472299474
Energy: 0.46550237095590635
Energy: 0.882923480574562
Energy: 0.42869756084743865
Energy: 0.5524116756297385
Energy: 0.42869756084292737
Energy: 0.7695618983763447
Energy: 0.4261692766468596
Energy: 0.4822488376704148
Energy: 0.4261692766483634
Energy: 0.7164799154301013
Energy: 0.428372113729329
Energy: 0.5470650289234346
Energy: 0.4283721137270733
Energy: 0.8101796189743289
Energy: 0.42809980842413625
Energy: 0.43235535357145527
Energy: 0.42809980841962497
Energy: 0.8681434481903181
Energy: 0.4265137537354256
Energy: 0.42735056512261
Energy: 0.4265137537339218
Energy: 0.8136633928046944
Energy: 0.4276445378843468
Energy: 0.4307551704454125
Energy: 0.4276445378813393

minimum gb energy = 0.41904536948888915 eV
minimum distance =  2.59720631494649 Angstroms
sigma value = 41


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

Energy: 1.058989186518084
Energy: 0.38598526074318495
Energy: 0.5591645388711268
Energy: 0.3905539585176784
Energy: 0.8418304644146026
Energy: 0.3844755749135394
Energy: 0.4838055624829307
Energy: 0.38447557491600504
Energy: 0.9259422163192845
Energy: 0.38347791028768613
Energy: 0.48612108748857313
Energy: 0.3834779102870697
Energy: 0.7655929105561377
Energy: 0.3858682577465613
Energy: 0.5935175823202753
Energy: 0.3858682577459448
Energy: 0.7649397974491374
Energy: 0.38277107640930047
Energy: 0.6736640489111123
Energy: 0.38277107640624636
Energy: 0.7605279995705735
Energy: 0.49949280254312634
Energy: 0.6743577084045913
Energy: 0.4994928025443591
Energy: 0.763857384994956
Energy: 0.4181065792513953
Energy: 0.7651944395970005
Energy: 0.4181065792526282
Energy: 0.6798025734048581
Energy: 0.4174042073523206
Energy: 0.6736262269113086
Energy: 0.4174042073498829
Energy: 0.5830580597155959
Energy: 0.4985753746833907
Energy: 0.8430285906605809
Energy: 0.49857537468400714
Energy: 0.5847128264211264
Energy: 0.382840489370398
Energy: 0.7666105617563261
Energy: 0.38284048937286363
Energy: 0.492388891079932
Energy: 0.38787948564973124
Energy: 0.932897516098054
Energy: 0.387879485643567
Energy: 0.48222286684557963
Energy: 0.3827780205929931
Energy: 0.841996254070472
Energy: 0.38277802059360955
Energy: 0.4842623051052688
Energy: 0.3861697943240796
Energy: 0.8419404108336415
Energy: 0.3861697943240796
Energy: 0.3909457609537258
Energy: 0.38573159386928974
Energy: 0.8501163738490395
Energy: 0.3857315938705227
Energy: 0.38377389803437123
Energy: 0.38379089019974916
Energy: 0.7642425317990733
Energy: 0.38379089019974916
Energy: 0.388175693095504
Energy: 0.3851072004750701
Energy: 0.9279137201340765
Energy: 0.38510720047568653
Energy: 0.4900205601161549
Energy: 0.3861289980866644
Energy: 0.9302175105115701
Energy: 0.3861289980878972
Energy: 0.48109477195219774
Energy: 0.38298652828477886
Energy: 0.762878018557014
Energy: 0.38298652828046387
Energy: 0.48510885690131805
Energy: 0.38550846366668934
Energy: 0.7623210774835164
Energy: 0.38550846366668934
Energy: 0.6743851865271296
Energy: 0.3840305921862853
Energy: 0.7612094163354604
Energy: 0.3840305921862853
Energy: 0.6925354654326151
Energy: 0.38576933425297005
Energy: 0.7628693030516043
Energy: 0.3857693342560521
Energy: 0.6742717177020157
Energy: 0.4164562463894162
Energy: 0.7654293522100005
Energy: 0.41645624639311474
Energy: 0.8436125362857615
Energy: 0.4159007345654416
Energy: 0.75840862228325
Energy: 0.41590073456605803
Energy: 0.6731444095519816
Energy: 0.41637445000120343
Energy: 0.6744280790209108
Energy: 0.41637444999688855
Energy: 0.8418350419727137
Energy: 0.3848089673704706
Energy: 0.5773971318741535
Energy: 0.38480896736923775
Energy: 0.8435228633176121
Energy: 0.3838915057550918
Energy: 0.6722947031109552
Energy: 0.3838915057538589
Energy: 0.8469520941210086
Energy: 0.38576971430323626
Energy: 0.4855638383399938
Energy: 0.38576971430446905
Energy: 0.7643924904312134
Energy: 0.383180340833096
Energy: 0.4802871688173825
Energy: 0.3831803408343008
Energy: 0.8464415790694825
Energy: 0.38695985555684986
Energy: 0.48927385076624375
Energy: 0.38695985555684986
Energy: 0.8443483986857749
Energy: 0.38517941830898195
Energy: 0.3849143289565078
Energy: 0.38517941830713276
Energy: 0.7631022385902163
Energy: 0.38374759356498184
Energy: 0.3832267888416897
Energy: 0.38374759356557026
Energy: 0.9196541709958
Energy: 0.385347136288983
Energy: 0.3903316312852647
Energy: 0.3853471362926815

minimum gb energy = 0.38277107640624636 eV
minimum distance =  2.60792149789881 Angstroms
sigma value = 15


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

Energy: 0.910025636603808
Energy: 0.36038435945941427
Energy: 0.5374551591960524
Energy: 0.3619599726900375
Energy: 0.8635212596926142
Energy: 0.3559668702616134
Energy: 0.4436481458028925
Energy: 0.355966870260569
Energy: 0.9714243911149
Energy: 0.3558722554906503
Energy: 0.4421622533863719
Energy: 0.3558722554932613
Energy: 0.8364896902619395
Energy: 0.3580872957943895
Energy: 0.6113420475352008
Energy: 0.3580872957949117
Energy: 0.8302208347681688
Energy: 0.35401865933216253
Energy: 0.6030922430579061
Energy: 0.35401865938908184
Energy: 0.82943001500354
Energy: 0.36029598905215915
Energy: 0.6047702262324121
Energy: 0.3602959890532036
Energy: 0.683150457038261
Energy: 0.35825852462577773
Energy: 0.7548531630810391
Energy: 0.35825852462629987
Energy: 0.7592369594793509
Energy: 0.38567633290383047
Energy: 0.6019963504584641
Energy: 0.3856763327827286
Energy: 0.6818270479979754
Energy: 0.5540044661978746
Energy: 0.7535857717866329
Energy: 0.5540044661968302
Energy: 0.6801971275836018
Energy: 0.4640521320249666
Energy: 0.8329264123197558
Energy: 0.4640521320228778
Energy: 0.6108940709524171
Energy: 0.3570981343505754
Energy: 0.808163214993093
Energy: 0.3570981398969546
Energy: 0.5198163149200697
Energy: 0.3607468787785346
Energy: 0.8974108755231555
Energy: 0.36074687877749023
Energy: 0.6045473645885152
Energy: 0.3546614128229066
Energy: 0.8993607774239121
Energy: 0.35466141282551755
Energy: 0.4480142935080554
Energy: 0.35803515850832635
Energy: 0.7602788666871952
Energy: 0.35803515850884854
Energy: 0.43672953223205235
Energy: 0.3550968720005877
Energy: 0.8304498169044391
Energy: 0.3550968720000655
Energy: 0.44468742763703695
Energy: 0.3568174595336666
Energy: 0.9004213946305951
Energy: 0.35681745953471106
Energy: 0.36108030581865036
Energy: 0.356351166861653
Energy: 0.9040362703735139
Energy: 0.3563511668574755
Energy: 0.3554770132470699
Energy: 0.3547991914467772
Energy: 0.8300637933923345
Energy: 0.3547991914452106
Energy: 0.35895078379724304
Energy: 0.3579805595479267
Energy: 0.8312378928109533
Energy: 0.3579805595494932
Energy: 0.4462138010854856
Energy: 0.3580653401553714
Energy: 0.9741413555440644
Energy: 0.35806534015276037
Energy: 0.4354602453541584
Energy: 0.3546214384760778
Energy: 0.8298345923252859
Energy: 0.3546214384776444
Energy: 0.44686694814735073
Energy: 0.3575718267154899
Energy: 0.8338111829841802
Energy: 0.3575718267154899
Energy: 0.6046123054373183
Energy: 0.3547465815055189
Energy: 0.8267632104157573
Energy: 0.3547465815159628
Energy: 0.6018071296655886
Energy: 0.3601907502125274
Energy: 0.8980720944024815
Energy: 0.360190750216705
Energy: 0.6102408141920738
Energy: 0.3571590804863541
Energy: 0.7046240705942709
Energy: 0.35715908048583195
Energy: 0.7554060162304813
Energy: 0.4649557720541787
Energy: 0.8339569073648969
Energy: 0.4649557720588785
Energy: 0.6023698555517425
Energy: 0.38333817977220536
Energy: 0.7541265023551352
Energy: 0.3833381797706388
Energy: 0.7588944966971612
Energy: 0.385579604783002
Energy: 0.687950510123443
Energy: 0.3855796047772579
Energy: 0.7565673898426712
Energy: 0.3568357575687521
Energy: 0.7552407384266393
Energy: 0.3568357589357646
Energy: 0.7556685988769009
Energy: 0.3610403517443469
Energy: 0.6046758906628272
Energy: 0.36104035174278026
Energy: 0.8292418602245626
Energy: 0.3543112933549786
Energy: 0.5198248281693367
Energy: 0.3543112932317879
Energy: 0.7608620263164735
Energy: 0.35736367637338906
Energy: 0.6101461398943069
Energy: 0.35736367637547783
Energy: 0.8995867181806049
Energy: 0.35610433905155714
Energy: 0.44252523417701956
Energy: 0.3561043390499905
Energy: 0.8966554821209032
Energy: 0.35563563506786233
Energy: 0.4401406150286014
Energy: 0.35563563506734014
Energy: 0.9084762176184623
Energy: 0.35731523201098514
Energy: 0.3634097044682638
Energy: 0.3573152320083742
Energy: 0.8970657303100187
Energy: 0.35759313121180464
Energy: 0.3583012035859846
Energy: 0.3575931312086714
Energy: 0.9690604145164885
Energy: 0.3585675919314116
Energy: 0.356581582681826
Energy: 0.35856759193193377

minimum gb energy = 0.35401865933216253 eV
minimum distance =  2.61180259999904 Angstroms
sigma value = 85


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

Energy: 0.9748317379901189
Energy: 0.32135980934697844
Energy: 0.3218732504297461
Energy: 0.3206436772685585
Energy: 0.8683631439698641
Energy: 0.3195786581748928
Energy: 0.391563400466305
Energy: 0.319578658173987
Energy: 0.8645584595635305
Energy: 0.31927684304662757
Energy: 0.39317270176270785
Energy: 0.3192768430457217
Energy: 0.7329814054970845
Energy: 0.32122153032358625
Energy: 0.53733663131285
Energy: 0.32122153032268047
Energy: 0.8672798715496763
Energy: 0.31848974321308554
Energy: 0.5357482855694626
Energy: 0.3184897432126326
Energy: 0.7354231144543281
Energy: 0.31905687291031315
Energy: 0.539139366813647
Energy: 0.31905687290986023
Energy: 0.7390849544448163
Energy: 0.319102599055401
Energy: 0.6746499062359714
Energy: 0.31910259905630683
Energy: 0.8053570341476638
Energy: 0.3195085764593908
Energy: 0.5333974068375378
Energy: 0.3195085764602966
Energy: 0.7382370836982072
Energy: 0.3187085490261459
Energy: 0.6713207865032599
Energy: 0.3187085486540261
Energy: 0.7379374576169556
Energy: 0.5067833775768484
Energy: 0.7994206312807258
Energy: 0.5067833775773014
Energy: 0.676894655533297
Energy: 0.4282198960063
Energy: 0.7063722406432412
Energy: 0.42821989600584714
Energy: 0.6082134984836628
Energy: 0.3192695840031545
Energy: 0.8000409249974623
Energy: 0.31926958405974654
Energy: 0.6707605885185095
Energy: 0.31985469772369945
Energy: 0.800106212425253
Energy: 0.3198546977200762
Energy: 0.5377737377417268
Energy: 0.3195759993612206
Energy: 0.6688856873898333
Energy: 0.3195759993625793
Energy: 0.4578255297774142
Energy: 0.3185579164939212
Energy: 0.8664762492651588
Energy: 0.3185579165124901
Energy: 0.5410434020275761
Energy: 0.3195941228935133
Energy: 0.8014444243247572
Energy: 0.3195941228930604
Energy: 0.3985693694825347
Energy: 0.3200559756515701
Energy: 0.798921315840832
Energy: 0.32005597565066424
Energy: 0.38880943343339097
Energy: 0.3184692628215405
Energy: 0.866488172118748
Energy: 0.3184692628215405
Energy: 0.3934554377739775
Energy: 0.3201481215925188
Energy: 0.8640680600277908
Energy: 0.3201481215925188
Energy: 0.32237743569089633
Energy: 0.3221253060819875
Energy: 0.8658104098699342
Energy: 0.3221253060833462
Energy: 0.31914136923732694
Energy: 0.31877298467915594
Energy: 0.8674677608641145
Energy: 0.31877298467915594
Energy: 0.3217875858563474
Energy: 0.3202345162920366
Energy: 0.8618705852300175
Energy: 0.3202345162793554
Energy: 0.39684156638233953
Energy: 0.32005161818300176
Energy: 0.8629010520401879
Energy: 0.3200516181834547
Energy: 0.3905404948038553
Energy: 0.31843199493821006
Energy: 0.8677149443705647
Energy: 0.31843199493821006
Energy: 0.39341532047128125
Energy: 0.3204666561998771
Energy: 0.7339538077848583
Energy: 0.32046665619942416
Energy: 0.5383864534802225
Energy: 0.3186857452787792
Energy: 0.8651777311079039
Energy: 0.3186857452801379
Energy: 0.5364758826263661
Energy: 0.3185882491690377
Energy: 0.8636756205710923
Energy: 0.3185882491744725
Energy: 0.5381433856992706
Energy: 0.32017571551167423
Energy: 0.7342754391051801
Energy: 0.3201757155103155
Energy: 0.6740259310261976
Energy: 0.3188553350480498
Energy: 0.8681713778542862
Energy: 0.318855335051673
Energy: 0.6717022397550153
Energy: 0.504827253924366
Energy: 0.7354238040321011
Energy: 0.5048272539257246
Energy: 0.7424536401415129
Energy: 0.36671882500577324
Energy: 0.606847300247611
Energy: 0.366718825006679
Energy: 0.6746598064740754
Energy: 0.36620618274952665
Energy: 0.7408001823779898
Energy: 0.36620618278349415
Energy: 0.8006654260290136
Energy: 0.5046354094815233
Energy: 0.6048000110667278
Energy: 0.5046354094815233
Energy: 0.8689185495820153
Energy: 0.3198168832423573
Energy: 0.6055589292766387
Energy: 0.3198168832441689
Energy: 0.6687211237078419
Energy: 0.31934944875365123
Energy: 0.5375888764054915
Energy: 0.31934944874866933
Energy: 0.9267187331871265
Energy: 0.3200536939414117
Energy: 0.535761344948295
Energy: 0.32005369393960004
Energy: 0.9267118835749495
Energy: 0.3189301945186902
Energy: 0.5383756188134692
Energy: 0.3189301945164256
Energy: 0.7987656255875757
Energy: 0.3218503161087898
Energy: 0.39386146279609735
Energy: 0.3218503161087898
Energy: 0.867729285024503
Energy: 0.31850177217727205
Energy: 0.39010663139693713
Energy: 0.31850177217772496
Energy: 0.8644797866401185
Energy: 0.3203115965227011
Energy: 0.39699318452456256
Energy: 0.32031159652224817
Energy: 0.7979862595416287
Energy: 0.3195417278001278
Energy: 0.3182936687199444
Energy: 0.319541727799222
Energy: 0.8669516330089252
Energy: 0.3187493222895889
Energy: 0.3188006628308281
Energy: 0.318749322289136
Energy: 0.8618047231481949
Energy: 0.3197777027626948
Energy: 0.3210217473044291
Energy: 0.3197777027613361

minimum gb energy = 0.3182936687199444 eV
minimum distance =  2.61145312414642 Angstroms
sigma value = 113


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

Energy: 0.013463677605968586
Energy: 0.2597321018341643
Energy: 0.7481723373425764
Energy: 0.014037109035536736
Energy: 0.5531100424147871
Energy: 0.0708305164696476
Energy: 0.553600765925654
Energy: 0.07083051647134975
Energy: 0.013954974503571678
Energy: 0.06962236680884494
Energy: 0.5528044287999795
Energy: 0.06962236680884494
Energy: 0.0148274526628431
Energy: 0.07186170941722826
Energy: 0.5537171736625623
Energy: 0.07186170941722826
Energy: 0.5547856946098192
Energy: 0.07081144996261003
Energy: 0.5553384303431813
Energy: 0.07081144996261003
Energy: 0.013973611501811083
Energy: 0.06951720221966784
Energy: 0.5525873448949475
Energy: 0.06951720221728871

minimum gb energy = 0.013463677605968586 eV
minimum distance =  2.84949539607651 Angstroms
sigma value = 1