Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.089642524719239
cohesive_energy=2.8502238341252197
mass=107.8682
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=[8.78438200536252e-20, 1.387832637373578e-19, 1.7995007082434398e-19, 2.14669238483124e-19, 2.45753067359358e-19, 2.74198111319394e-19, 2.99905035411924e-19, 3.22771300332372e-19, 3.4296673680394193e-19, 3.6076211267778e-19, 3.7642338927513e-19, 3.90176473501386e-19, 4.0221362655262796e-19, 4.1270307697542594e-19, 4.21790622843474e-19, 4.29609244817394e-19, 4.362759017914679e-19, 4.41886724363736e-19, 4.46520219189264e-19, 4.502340646268759e-19, 4.53068315092422e-19, 4.550598206484839e-19, 4.562342161212059e-19, 4.5662034069e-19, 4.562037747651599e-19, 4.54859548569234e-19, 4.52443466205162e-19, 4.4877768606657e-19, 4.435113314706119e-19, 4.36309547500782e-19, 4.26794220471456e-19, 4.1452955833818596e-19, 3.9899004716502e-19, 3.7954603153479592e-19, 3.5541725142675597e-19, 3.2562157256425796e-19, 2.88893275406442e-19, 2.43559687547412e-19, 1.8738256822947e-19, 1.1735767604620258e-19, 2.94713983117764e-20, -8.16592580287218e-20, -2.23381875018816e-19, -4.06070065710666e-19, -6.449241604840199e-19, -9.62582915177298e-19, -1.392597510683094e-18, -1.98612224257176e-18, -2.82643184357208e-18, -4.05696758554944e-18, -5.944331660401439e-18, -9.0200942317566e-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: 0.008589570147053206
Energy: 0.008973083282074246
Energy: 0.008901002209465683
Energy: 0.008726987006315653
Energy: 0.25390522996559056
Energy: 0.00888306152211864
Energy: 0.008973083281842821
Energy: 0.06592982121133446
Energy: 0.06611907306260406
Energy: 0.06594607988219277
Energy: 0.06622967132308727
Energy: 0.0660786088949427
Energy: 0.008901002209942145
Energy: 0.06611907306260406
Energy: 0.06601259211998847
Energy: 0.00891702895200512
Energy: 0.0661074875153321
Energy: 0.06626606824058272
Energy: 0.008726987006547077
Energy: 0.0659460798817163
Energy: 0.008917028953203081
Energy: 0.008851232307555764
Energy: 0.06610606893279151
Energy: 0.008907303081711964
Energy: 0.25390522996559056
Energy: 0.0662296713233187
Energy: 0.06610748751653006
Energy: 0.06610606893254647
Energy: 0.06617491693358397
Energy: 0.06617895501526513
Energy: 0.008883061522363676
Energy: 0.0660786088956642
Energy: 0.06626606824035129
Energy: 0.008907303080514002
Energy: 0.06617895501406716
Energy: 0.008957831319288274

minimum gb energy = 0.008589570147053206 eV
minimum distance =  2.88705623776959 Angstroms
sigma value = 1


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

Energy: 0.801458462368659
Energy: 0.48178959228093726
Energy: 0.5100300356887639
Energy: 0.4765027204874272
Energy: 0.5006942349621499
Energy: 0.5094319270639328
Energy: 0.7344123814882508
Energy: 0.46502003247092266
Energy: 0.4692607540114637
Energy: 0.4682609444079848
Energy: 0.47713846571808066
Energy: 0.47694415572940074
Energy: 0.7239850825894021
Energy: 0.4786693299498033
Energy: 0.4652292092683167
Energy: 0.47415150698417563
Energy: 0.4700026105813473
Energy: 0.4759469761809411
Energy: 0.7736019291946837
Energy: 0.4711915597341909
Energy: 0.46526478820844863
Energy: 0.49388588116753973
Energy: 0.47104879875092487
Energy: 0.4653766827506721
Energy: 0.7122870499471685
Energy: 0.4854998303317083
Energy: 0.4872171347698122
Energy: 0.4741935131701863
Energy: 0.47236286619445034
Energy: 0.4758346038269601
Energy: 0.7082097302058922
Energy: 0.4938464665710434
Energy: 0.4932022717984359
Energy: 0.4742638125919042
Energy: 0.47280460092243304
Energy: 0.474398707805528
Energy: 0.7096406854815294
Energy: 0.4812287107534301
Energy: 0.47677846226844517
Energy: 0.4743645626236843
Energy: 0.47179825426378547
Energy: 0.4754879716496893
Energy: 0.6162998565947271
Energy: 0.4765975554374745
Energy: 0.4804909689980695
Energy: 0.45209046668446784
Energy: 0.4732757474698285
Energy: 0.48131063294835924
Energy: 0.5861084500372368
Energy: 0.4743435352921332
Energy: 0.4737915640821223
Energy: 0.4740098609369334
Energy: 0.47443070049943514
Energy: 0.47407716904422686
Energy: 0.5832077417305486
Energy: 0.47558776216852017
Energy: 0.4752687156191544
Energy: 0.47058979258301137
Energy: 0.4759468995068052
Energy: 0.48521799488864126
Energy: 0.5787343938858617
Energy: 0.4718683044392846
Energy: 0.4618815049531845
Energy: 0.5065430559900056
Energy: 0.47725590871402207
Energy: 0.47881276477595985
Energy: 0.5224119747803828
Energy: 0.4790501192071227
Energy: 0.4763323463467723
Energy: 0.4781212617957065
Energy: 0.4713808030168076
Energy: 0.4757372660928585
Energy: 0.5221178742486887
Energy: 0.4766888589232024
Energy: 0.47686351144237565
Energy: 0.4817084085975867
Energy: 0.486436656703584
Energy: 0.47892260078189475
Energy: 0.5677134682982518
Energy: 0.471589395772844
Energy: 0.4641618108840426
Energy: 0.4704759219824099
Energy: 0.47251755667106465
Energy: 0.4706021582924582
Energy: 0.5426703070707529
Energy: 0.474566223222484
Energy: 0.47538559283303283
Energy: 0.47700874640321655
Energy: 0.4746286994029105
Energy: 0.4780376075136048
Energy: 0.5432866013915574
Energy: 0.4711010459085552
Energy: 0.4708312208219898
Energy: 0.4783653562318169
Energy: 0.47488222122981727
Energy: 0.47887052265172586
Energy: 0.647791282474253
Energy: 0.47341196768297583
Energy: 0.47589856415249543
Energy: 0.47043057486087114
Energy: 0.47386974322214603
Energy: 0.4758844545620185
Energy: 0.6472826659773281
Energy: 0.47524511997930347
Energy: 0.477378054851568
Energy: 0.4763916569345901
Energy: 0.47472746442187364
Energy: 0.4829828546967469
Energy: 0.6474345287589311
Energy: 0.4824209211066567
Energy: 0.4761869481928894
Energy: 0.47408859750433746
Energy: 0.4765985361043669
Energy: 0.4829775514740711
Energy: 0.6861241361288288
Energy: 0.47749749847468775
Energy: 0.4751412607117367
Energy: 0.47493003007580537
Energy: 0.47521028504488766
Energy: 0.47521149488879133
Energy: 0.7354150089680577
Energy: 0.46664598958079245
Energy: 0.4629913297584892
Energy: 0.47700021998473224
Energy: 0.4663995269008159
Energy: 0.4666466705634102
Energy: 0.7363042153588886
Energy: 0.49092374996110055
Energy: 0.47264410938405643
Energy: 0.47007894151403534
Energy: 0.48151665119442266
Energy: 0.47076670877442683
Energy: 0.7344032345420729
Energy: 0.46523402257230856
Energy: 0.4650921431490371
Energy: 0.478009414157052
Energy: 0.47735215590885566
Energy: 0.4761326073214009

minimum gb energy = 0.45209046668446784 eV
minimum distance =  2.71728066553313 Angstroms
sigma value = 33


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

Energy: 0.9548237676778478
Energy: 0.5271170100429581
Energy: 0.5225000031878503
Energy: 0.5202381771313394
Energy: 0.5102380037754576
Energy: 0.5225835726831286
Energy: 0.6216945560819654
Energy: 0.5021593117502196
Energy: 0.4833723124986753
Energy: 0.4833316156312238
Energy: 0.5145130372556467
Energy: 0.4894105608766803
Energy: 0.686736311627654
Energy: 0.4899499897155922
Energy: 0.4850096853690189
Energy: 0.47714726548221764
Energy: 0.5017533480363479
Energy: 0.5020130271077176
Energy: 0.7301703263936029
Energy: 0.5013496297258276
Energy: 0.5071965212410211
Energy: 0.48708309973069724
Energy: 0.504438961751708
Energy: 0.48678669058035395
Energy: 0.6825920021543238
Energy: 0.474924907948281
Energy: 0.4895954826167146
Energy: 0.48148165073036503
Energy: 0.4882454700228477
Energy: 0.4947716934369659
Energy: 0.7270079496408606
Energy: 0.5174777863286093
Energy: 0.5186339754823314
Energy: 0.5137536102868571
Energy: 0.48764395414693873
Energy: 0.5123835547807724
Energy: 0.7267036211198381
Energy: 0.4863641907421574
Energy: 0.47480578036852733
Energy: 0.493563895652024
Energy: 0.4923063187066529
Energy: 0.47680679162771683
Energy: 0.6793452740366707
Energy: 0.5081128534908016
Energy: 0.4680826967023135
Energy: 0.484593171173371
Energy: 0.4772615664721621
Energy: 0.466291387399939
Energy: 0.5926639016776728
Energy: 0.47920517623121145
Energy: 0.489944522953684
Energy: 0.4837770672433119
Energy: 0.47686765905117173
Energy: 0.4918550778246099
Energy: 0.591961032551951
Energy: 0.4895912864284833
Energy: 0.470827409887307
Energy: 0.4797029782388328
Energy: 0.48646091206280595
Energy: 0.4702410544214949
Energy: 0.5903875829134219
Energy: 0.4928580344397354
Energy: 0.4927906105881369
Energy: 0.507285724089604
Energy: 0.457917851129138
Energy: 0.49292786443767106
Energy: 0.5418204904921687
Energy: 0.4583911818092036
Energy: 0.4703593434766978
Energy: 0.5024273519503674
Energy: 0.47936737633529186
Energy: 0.47135274236510244
Energy: 0.5424357430635649
Energy: 0.48516844318672414
Energy: 0.48524479603506326
Energy: 0.5022472530439812
Energy: 0.4843487982207397
Energy: 0.48248671864357096
Energy: 0.5420137953346493
Energy: 0.46693403385231125
Energy: 0.48726654859781826
Energy: 0.5213336572816123
Energy: 0.46630621669890554
Energy: 0.4886384487561982
Energy: 0.5916015033557337
Energy: 0.4820486221683622
Energy: 0.4865715159552706
Energy: 0.49710739797668696
Energy: 0.48348588468778064
Energy: 0.4847324378793299
Energy: 0.5909655838393691
Energy: 0.49680453028021637
Energy: 0.48762870362615124
Energy: 0.4974483308218968
Energy: 0.5012525641823762
Energy: 0.511960416280243
Energy: 0.6919309688760349
Energy: 0.48730454457440575
Energy: 0.507489548942821
Energy: 0.5022437072773374
Energy: 0.5037154457898424
Energy: 0.5005618368592231
Energy: 0.6501474752614893
Energy: 0.4860607173940437
Energy: 0.4892233560398319
Energy: 0.4768081564170098
Energy: 0.47959766901214007
Energy: 0.4678667242614651
Energy: 0.6486356053168993
Energy: 0.47963694279910113
Energy: 0.5108375305439677
Energy: 0.4770309563335662
Energy: 0.47983697044920975
Energy: 0.4973865149505283
Energy: 0.7029055614804698
Energy: 0.4756049391531177
Energy: 0.47852204874993304
Energy: 0.4839550484900493
Energy: 0.4757102862355619
Energy: 0.4744475481790788
Energy: 0.7844781884804709
Energy: 0.501167942271652
Energy: 0.4926000707416944
Energy: 0.45752880509507554
Energy: 0.5036086000579604
Energy: 0.4925563119169589
Energy: 0.6190549763451154
Energy: 0.49309379120943186
Energy: 0.5077684553664921
Energy: 0.48470260171150786
Energy: 0.4971854751082655
Energy: 0.4848599058174069
Energy: 0.6845475382036823
Energy: 0.48553495805564123
Energy: 0.48404724327361554
Energy: 0.4922628446982095
Energy: 0.5023796767325256
Energy: 0.49105274734920284
Energy: 0.7300467587371912
Energy: 0.5144053271039537
Energy: 0.49807355288759564
Energy: 0.48712649813463055
Energy: 0.5016366914437886
Energy: 0.5001996250675451
Energy: 0.7014381611615933
Energy: 0.485033289905808
Energy: 0.4941556282938928
Energy: 0.4875976572003594
Energy: 0.5032350273216095
Energy: 0.49291371918286664
Energy: 0.7236128196006562
Energy: 0.5154311763066984
Energy: 0.5132968969396737
Energy: 0.4898596840430465
Energy: 0.5153710570399304
Energy: 0.488243139624888
Energy: 0.7224041094740582
Energy: 0.49533689172853534
Energy: 0.4983728850354655
Energy: 0.48076392493416975
Energy: 0.5074804671095957
Energy: 0.4966888629665081
Energy: 0.6818410235574202
Energy: 0.476262147262124
Energy: 0.5073866334015649
Energy: 0.4879728997577467
Energy: 0.47616863281867866
Energy: 0.48207347495606034
Energy: 0.5906672067038349
Energy: 0.47667951600458264
Energy: 0.5076534837090699
Energy: 0.4879987019940235
Energy: 0.4760519925200098
Energy: 0.4851113390006505
Energy: 0.5932497861239342
Energy: 0.4845091590212894
Energy: 0.4840785695421728
Energy: 0.4745070767738615
Energy: 0.48483044359228084
Energy: 0.48485023849900755
Energy: 0.5874559511545953
Energy: 0.48741182665355504
Energy: 0.492438942976141
Energy: 0.5087704962884706
Energy: 0.45723946222499245
Energy: 0.4923711134703224
Energy: 0.5461711315074066
Energy: 0.4582574118881825
Energy: 0.45791848329335527
Energy: 0.4979017634985923
Energy: 0.45918230372929686
Energy: 0.48994906642078906
Energy: 0.5451949931218909
Energy: 0.4763870929014541
Energy: 0.5004178291297192
Energy: 0.4975483296023899
Energy: 0.4771344905188537
Energy: 0.470808230128613
Energy: 0.5464323317592646
Energy: 0.4869975294106111
Energy: 0.48591685964243925
Energy: 0.5001881491438166
Energy: 0.4756994928746858
Energy: 0.48574499428677226
Energy: 0.5962993222540325
Energy: 0.4776255890143968
Energy: 0.47693072444842866
Energy: 0.5011333117576428
Energy: 0.4783531002914848
Energy: 0.4805560826713444
Energy: 0.5964878289954456
Energy: 0.49748667970775695
Energy: 0.4969659773009615
Energy: 0.5170238021639728
Energy: 0.49672311761255783
Energy: 0.49653556810785476
Energy: 0.5959581407417013
Energy: 0.5007658391147939
Energy: 0.5040116209341222
Energy: 0.5006706898029487
Energy: 0.48235420119782124
Energy: 0.5040183960164225
Energy: 0.6486297183567407
Energy: 0.481591086512683
Energy: 0.48129665747638073
Energy: 0.47658991610480234
Energy: 0.4819892582414505
Energy: 0.5030511963634902
Energy: 0.6494407317523513
Energy: 0.48973248207170905
Energy: 0.4903759629490747
Energy: 0.47657680920599255
Energy: 0.49033201729400666
Energy: 0.468258938552382
Energy: 0.6805348956231975
Energy: 0.48974327701838705
Energy: 0.5081381373007923
Energy: 0.480945702482566
Energy: 0.4901657565586913
Energy: 0.4967148871423702
Energy: 0.7737849042719452
Energy: 0.490836234877599
Energy: 0.49753105901556494
Energy: 0.4989679885141138
Energy: 0.4920360985740742
Energy: 0.49943408856897903

minimum gb energy = 0.45723946222499245 eV
minimum distance =  2.69761990187568 Angstroms
sigma value = 51


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

Energy: 0.8333843552817682
Energy: 0.4863960171376587
Energy: 0.4862924780110808
Energy: 0.5495992847832561
Energy: 0.5112169156137254
Energy: 0.5495116672181384
Energy: 0.6767715826340058
Energy: 0.5011999999924154
Energy: 0.48715627681364077
Energy: 0.4744599057802328
Energy: 0.500589750564129
Energy: 0.48739512517301736
Energy: 0.7278799649771469
Energy: 0.5007636280142
Energy: 0.4944311360820753
Energy: 0.5030096660221925
Energy: 0.5017434066563822
Energy: 0.5140078449464566
Energy: 0.7274755558211747
Energy: 0.502651300050525
Energy: 0.49822123063005735
Energy: 0.5052986125978807
Energy: 0.5021865545320825
Energy: 0.49417459847884676
Energy: 0.6329714659221498
Energy: 0.5055225538349223
Energy: 0.5153530638957825
Energy: 0.47431562892200807
Energy: 0.5114514400273334
Energy: 0.5154489397565116
Energy: 0.6321920489406047
Energy: 0.515524699859067
Energy: 0.514983966652818
Energy: 0.5114196609646583
Energy: 0.5064010495754016
Energy: 0.5146024064093953
Energy: 0.6323444060567044
Energy: 0.5055206549249373
Energy: 0.5161617545169653
Energy: 0.5132845999463137
Energy: 0.474323293022315
Energy: 0.5153416836020182
Energy: 0.6263671550056715
Energy: 0.49601158203276763
Energy: 0.5003015219497631
Energy: 0.4919040232399389
Energy: 0.4959541380909622
Energy: 0.5001171677544537
Energy: 0.5356913957541719
Energy: 0.49683824707705626
Energy: 0.5004342660163319
Energy: 0.4942586237185168
Energy: 0.4901787858194659
Energy: 0.5111073011270066
Energy: 0.5356085447451873
Energy: 0.4751816343606939
Energy: 0.5002073156375965
Energy: 0.500698553483902
Energy: 0.4751482667388847
Energy: 0.48645908195678483
Energy: 0.5361038815075723
Energy: 0.48172739767765
Energy: 0.48259878730897343
Energy: 0.5113649307841562
Energy: 0.4822675962834209
Energy: 0.4925634973172127
Energy: 0.560750898444983
Energy: 0.47532291638862356
Energy: 0.4952887336735936
Energy: 0.5015753276225449
Energy: 0.5018891605312353
Energy: 0.5048763753217796
Energy: 0.5598014065800472
Energy: 0.5056076460734997
Energy: 0.5072519969120436
Energy: 0.5117856249888677
Energy: 0.5054500387367764
Energy: 0.5111685501109705
Energy: 0.5607494363388537
Energy: 0.46751983893429955
Energy: 0.48359336235323536
Energy: 0.4949131225525599
Energy: 0.4951026854287406
Energy: 0.4844623183443151
Energy: 0.6764491342935142
Energy: 0.5081987903473706
Energy: 0.5056894773520864
Energy: 0.5106841951715374
Energy: 0.4919766784141703
Energy: 0.5057274189204666
Energy: 0.6765707919029271
Energy: 0.5021918700576863
Energy: 0.49607505469556806
Energy: 0.5111166429855528
Energy: 0.5018016960584807
Energy: 0.478372298588696
Energy: 0.679846642411748
Energy: 0.4951104380584382
Energy: 0.511665060198774
Energy: 0.5070415505806818
Energy: 0.50167432871529
Energy: 0.5036510778999485
Energy: 0.7790681283090444
Energy: 0.49566689464396757
Energy: 0.48649911944326174
Energy: 0.4950195864460471
Energy: 0.4877615299583497
Energy: 0.5140296824245519

minimum gb energy = 0.46751983893429955 eV
minimum distance =  2.6672898838638 Angstroms
sigma value = 19


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

Energy: 0.6959025409038029
Energy: 0.48751925565030274
Energy: 0.48676012724902945
Energy: 0.5435237667981986
Energy: 0.4891361057024904
Energy: 0.48675474345142544
Energy: 0.7167591136730251
Energy: 0.48691901475627797
Energy: 0.4867039174178292
Energy: 0.499164447404856
Energy: 0.48697107561470043
Energy: 0.4827180622460255
Energy: 0.7376308735490504
Energy: 0.4866065576726022
Energy: 0.4866443084344972
Energy: 0.5010309378595681
Energy: 0.48639863120138255
Energy: 0.4867378442358976
Energy: 0.5899469072610446
Energy: 0.48712685662071514
Energy: 0.482587712746664
Energy: 0.4836071937095549
Energy: 0.48732390713604684
Energy: 0.4768322593881764
Energy: 0.5973119841671493
Energy: 0.48701423636390095
Energy: 0.5003847445556353
Energy: 0.5008075451965396
Energy: 0.4864384256231812
Energy: 0.5005381548770451
Energy: 0.5964915531946096
Energy: 0.4577412334322872
Energy: 0.49225265131183954
Energy: 0.4990112392133943
Energy: 0.4573013773100616
Energy: 0.49655287760331923
Energy: 0.5970569592050803
Energy: 0.5010723439402723
Energy: 0.4986133727384587
Energy: 0.4982912625391168
Energy: 0.4755242416852232
Energy: 0.4989680515444514
Energy: 0.5613385830009793
Energy: 0.45956226497818553
Energy: 0.45859789000748263
Energy: 0.48239725497370817
Energy: 0.45907716762622414
Energy: 0.45826563488247213
Energy: 0.49563653005957214
Energy: 0.4579619873525283
Energy: 0.45773012990062373
Energy: 0.48824856117457704
Energy: 0.4587121759853133
Energy: 0.4578466200424853
Energy: 0.49522521966276933
Energy: 0.48363091968768307
Energy: 0.48254056946224166
Energy: 0.48800489527904234
Energy: 0.5025970801971562
Energy: 0.48723019175102683
Energy: 0.4939859937466488
Energy: 0.48332562332177426
Energy: 0.48374227386375845
Energy: 0.4903442513528729
Energy: 0.4835076742758813
Energy: 0.48435391033316444
Energy: 0.596669871890506
Energy: 0.5020627286235928
Energy: 0.5006585160086986
Energy: 0.4880427250700271
Energy: 0.5011841497653278
Energy: 0.4842996948749955
Energy: 0.47974557542536006
Energy: 0.5008180720196908
Energy: 0.4986779512829893
Energy: 0.45722047579155073
Energy: 0.49852067557806834
Energy: 0.5023721606963305
Energy: 0.5970765640102803
Energy: 0.5010171741955747
Energy: 0.5016233212096849
Energy: 0.4884021209953813
Energy: 0.5003797781990138
Energy: 0.5009985088187054
Energy: 0.7038610929856557
Energy: 0.4828601651747007
Energy: 0.48479734558516907
Energy: 0.45840693865517196
Energy: 0.4824332954574304
Energy: 0.45775139573403295
Energy: 0.7005670320457124
Energy: 0.48752024982985254
Energy: 0.45834548900145183
Energy: 0.4591028269612287
Energy: 0.48860979522527764
Energy: 0.4582096969919684
Energy: 0.5972657676420398
Energy: 0.4891076043231257
Energy: 0.4873300020395235
Energy: 0.5002305385197052
Energy: 0.4878285549043269
Energy: 0.48255586865645134
Energy: 0.5916008364472889
Energy: 0.4860052390057348
Energy: 0.48147130600693694
Energy: 0.4833670752754779
Energy: 0.48638757827652135
Energy: 0.48193045724151456
Energy: 0.5919309444795774
Energy: 0.4868642203256979
Energy: 0.48727518849899776
Energy: 0.48366338218864513
Energy: 0.48631568706825246
Energy: 0.4827518211350384
Energy: 0.5971677030715112
Energy: 0.4577489851265614
Energy: 0.4966993666183237
Energy: 0.5015932809701507
Energy: 0.45723967904359425
Energy: 0.4957261883311379
Energy: 0.5911932667099963
Energy: 0.49510889096523136
Energy: 0.5000998484496193
Energy: 0.5006072237076524
Energy: 0.4873480652887965
Energy: 0.5019926743921215
Energy: 0.5969251811829909
Energy: 0.5017085676084905
Energy: 0.5010672315713804
Energy: 0.4988162450112858
Energy: 0.47310274311246264
Energy: 0.4999019172060252
Energy: 0.562309526043459
Energy: 0.458170079242323
Energy: 0.45836491458895384
Energy: 0.5586824056200016
Energy: 0.45769087797443553
Energy: 0.45884776890116746
Energy: 0.4954499784290454
Energy: 0.47718438599022045
Energy: 0.4834582964903335
Energy: 0.48751323697974414
Energy: 0.4810655489079162
Energy: 0.48248035215369783
Energy: 0.49541087150947644
Energy: 0.4808043982876275
Energy: 0.48068871268080643
Energy: 0.4863100978895526
Energy: 0.5012323249748489
Energy: 0.48626969162961736
Energy: 0.5633748994243865
Energy: 0.4839755447566241
Energy: 0.48509636809323103
Energy: 0.5547107277618726
Energy: 0.4837640597160122
Energy: 0.4811332273818224
Energy: 0.5969773151692463
Energy: 0.5001499482822881
Energy: 0.5002918163267912
Energy: 0.486736943360244
Energy: 0.5019186459459102
Energy: 0.500349855349011
Energy: 0.480107754495456
Energy: 0.49950154815683817
Energy: 0.49741760505721927
Energy: 0.45714870081277903
Energy: 0.4987678321619556
Energy: 0.4922734088390245
Energy: 0.5617270045868954
Energy: 0.5048283546823248
Energy: 0.5000624509477127
Energy: 0.47360912485240947
Energy: 0.5002751908540498
Energy: 0.4982458148806535
Energy: 0.7012948910502944
Energy: 0.48570004504731323
Energy: 0.45787858218222593
Energy: 0.4589990426266694
Energy: 0.48463705598508316
Energy: 0.45785171742224867

minimum gb energy = 0.45714870081277903 eV
minimum distance =  2.74427572490272 Angstroms
sigma value = 27


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

Energy: 0.5877612127791327
Energy: 0.5205371691568941
Energy: 0.5210044460576065
Energy: 0.46930324060882506
Energy: 0.8734970483997794
Energy: 0.5214141994544922
Energy: 0.5202734419720443
Energy: 0.48831054085100917
Energy: 0.44284142353490563
Energy: 0.44501019439591805
Energy: 0.48806555837011406
Energy: 0.4222377938472053
Energy: 0.5287120530585826
Energy: 0.4853410689706495
Energy: 0.44378008079086156
Energy: 0.4227306005251591
Energy: 0.4855388706737946
Energy: 0.4427406544740955
Energy: 0.5283941412131633
Energy: 0.44676547014339424
Energy: 0.42222948961146456
Energy: 0.42232211697812383
Energy: 0.4629017148709442
Energy: 0.42255669438560356
Energy: 0.5813473627904999
Energy: 0.4386966712291664
Energy: 0.42251304695887215
Energy: 0.46357913057864963
Energy: 0.42108202510895143
Energy: 0.42257098489088485
Energy: 0.49524507510607485
Energy: 0.3993082828462418
Energy: 0.3994813009488097
Energy: 0.4847313490441287
Energy: 0.3984003525569668
Energy: 0.4385668724987596
Energy: 0.4981619697472812
Energy: 0.44244361694608725
Energy: 0.44354462914437814
Energy: 0.48741604245491005
Energy: 0.44331379930261416
Energy: 0.44279942657644195
Energy: 0.4976333335947897
Energy: 0.4418229811812238
Energy: 0.4417734884037758
Energy: 0.4871584561999876
Energy: 0.4420566681075334
Energy: 0.4401262435591185
Energy: 0.528767187586447
Energy: 0.44260216778931727
Energy: 0.4391173235786211
Energy: 0.4884860486656448
Energy: 0.42096413662668264
Energy: 0.422226205307757
Energy: 0.46330482205186313
Energy: 0.4423328314943505
Energy: 0.44224151378091897
Energy: 0.46479266717943574
Energy: 0.4504395465603305
Energy: 0.4433606066657879
Energy: 0.5291295177039249
Energy: 0.4632042316856853
Energy: 0.4632158371864776
Energy: 0.4589919556969919
Energy: 0.4637834850252298
Energy: 0.46362926346798605
Energy: 0.5202734420589606
Energy: 0.4428918254336162
Energy: 0.44251062107319006
Energy: 0.4451190639126372
Energy: 0.44312449922181235
Energy: 0.4224228589159235

minimum gb energy = 0.3984003525569668 eV
minimum distance =  2.75196558702181 Angstroms
sigma value = 9


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

Energy: 1.0047363203381605
Energy: 0.41455126054797725
Energy: 0.40413617783207834
Energy: 0.388009333213107
Energy: 0.41663548772711034
Energy: 0.41556490336337354
Energy: 0.4371463223830754
Energy: 0.41454484127500063
Energy: 0.3893065785167931
Energy: 0.40072416363940383
Energy: 0.41504048727466136
Energy: 0.4006360083793573
Energy: 0.4461004940215891
Energy: 0.4127098453534821
Energy: 0.4137307621338851
Energy: 0.41635302627936005
Energy: 0.4211322192244101
Energy: 0.4071055854581718
Energy: 0.44681473237480257
Energy: 0.38920278529812957
Energy: 0.3888966415168991
Energy: 0.414309123377616
Energy: 0.41018039998016453
Energy: 0.3894501037400874
Energy: 0.46964976748556975
Energy: 0.40536022856366744
Energy: 0.3807652555475729
Energy: 0.42583392214405863
Energy: 0.40505632634945904
Energy: 0.40888466476926855
Energy: 0.4346371618100114
Energy: 0.3897014096716768
Energy: 0.4049628622611751
Energy: 0.43464772630062165
Energy: 0.40418577067460104
Energy: 0.39953170923612796
Energy: 0.43418464813438107
Energy: 0.3898129256542307
Energy: 0.3895203777400138
Energy: 0.434987242642962
Energy: 0.391770305320564
Energy: 0.43486114764397427
Energy: 0.43484107565941926
Energy: 0.4038648209882587
Energy: 0.40301310035037397
Energy: 0.43508624057329676
Energy: 0.4059670500204944
Energy: 0.4039009010699067
Energy: 0.42668048955446547
Energy: 0.4093494087170508
Energy: 0.41305886770968403
Energy: 0.4260846389335875
Energy: 0.4210018133085476
Energy: 0.40843300135545857
Energy: 0.41552051722043426
Energy: 0.39196503622601947
Energy: 0.38985790118520425
Energy: 0.4105562532804477
Energy: 0.41208139076640754
Energy: 0.38883228375400664
Energy: 0.4105815428323486
Energy: 0.42895776844467504
Energy: 0.40913874804763756
Energy: 0.41252262829146574
Energy: 0.43421108255600266
Energy: 0.40946204099073436
Energy: 0.4260088360980666
Energy: 0.43482084989467384
Energy: 0.4127890143901526
Energy: 0.3991508341279142
Energy: 0.434801667053326
Energy: 0.38601756222815903
Energy: 0.6021903793906561
Energy: 0.4121949309959309
Energy: 0.40398096743745465
Energy: 0.415166992649137
Energy: 0.4191421464664536
Energy: 0.40913868526718994
Energy: 0.47909839495963497
Energy: 0.41952790753004254
Energy: 0.4091797542277665
Energy: 0.3992648230979292
Energy: 0.4354089411897725
Energy: 0.41011631904129625
Energy: 0.42793468615496993
Energy: 0.40660825727575056
Energy: 0.4066648921919825
Energy: 0.4218954332679231
Energy: 0.4081852160300102
Energy: 0.41820159384695377
Energy: 0.4270172864585154
Energy: 0.39849006082527183
Energy: 0.4076950921941594
Energy: 0.42070904651878155
Energy: 0.41557578629975445
Energy: 0.40679671511701093
Energy: 0.4273216538134824
Energy: 0.38884360591611644
Energy: 0.38481163043538
Energy: 0.414438535852802
Energy: 0.3979790220548928
Energy: 0.4028087198338493
Energy: 0.46307842790336773
Energy: 0.40606686660009433
Energy: 0.4065679547391081
Energy: 0.41412027068496504
Energy: 0.40332888328400196
Energy: 0.3945111251627605
Energy: 0.4465055450109471
Energy: 0.4001406282063937
Energy: 0.400590794901621
Energy: 0.42195732879687153
Energy: 0.3995836354068203
Energy: 0.40120914806716584
Energy: 0.4456917615625434
Energy: 0.4034481970410033
Energy: 0.3982104809737643
Energy: 0.40319433387246595
Energy: 0.40292677190534143
Energy: 0.39721234285523144
Energy: 0.4457838135628088
Energy: 0.4023484607568713
Energy: 0.4003090211993082
Energy: 0.41144623087386817
Energy: 0.40434032173646256
Energy: 0.40466799789302943
Energy: 0.46550207122018294
Energy: 0.3996419804685751
Energy: 0.408752225309317
Energy: 0.4055298759953296
Energy: 0.4143997438809043
Energy: 0.3982343633117689
Energy: 0.4632526962775618
Energy: 0.4147739439953404
Energy: 0.39611734128867604
Energy: 0.4052073510653891
Energy: 0.41495832586154746
Energy: 0.38682839086979054
Energy: 0.4460922245744338
Energy: 0.4036092481351902
Energy: 0.40566592870990426
Energy: 0.41237989435102934
Energy: 0.4217975247385063
Energy: 0.40836249911122935
Energy: 0.6104754603093634
Energy: 0.42432349469300945
Energy: 0.41055543637553016
Energy: 0.4050395286717639
Energy: 0.4222334021809951
Energy: 0.40813781840612107
Energy: 0.4458889228856791
Energy: 0.39898021125547933
Energy: 0.38611456929690186
Energy: 0.4275077796531175
Energy: 0.39931524272035124
Energy: 0.41004295439695776
Energy: 0.40166380761730314
Energy: 0.3899529670161521
Energy: 0.38980010292248896
Energy: 0.4037678242948116
Energy: 0.3897472112837778
Energy: 0.40889668395829887
Energy: 0.43456892729230734
Energy: 0.3899886532002428
Energy: 0.3856599565779837
Energy: 0.4346109414564021
Energy: 0.3993231383964322
Energy: 0.38597274174809587
Energy: 0.43437009805251137
Energy: 0.4022914915276026
Energy: 0.40838647121394406
Energy: 0.434273881290896
Energy: 0.4093855750073202
Energy: 0.40905424312498695
Energy: 0.4268851816542212
Energy: 0.40385744838865967
Energy: 0.4112303949205265
Energy: 0.4260240433275204
Energy: 0.4059339212690977
Energy: 0.38982642632067677
Energy: 0.4106930318353715
Energy: 0.3904140565908213
Energy: 0.41175335088981885
Energy: 0.4118694846313251
Energy: 0.40944531582404664
Energy: 0.42521998291925295
Energy: 0.4139773245486399
Energy: 0.4126899498081835
Energy: 0.4120634190213123
Energy: 0.40441297773108903
Energy: 0.4341105096846756
Energy: 0.38907568001858467
Energy: 0.4411210039592559
Energy: 0.43608518687515285
Energy: 0.42946412744406937
Energy: 0.4259462130332065
Energy: 0.43560534330893425
Energy: 0.3904963429176423
Energy: 0.44004466632279043
Energy: 0.4342660379721051
Energy: 0.419141236641029
Energy: 0.4079702008946336
Energy: 0.4341511757887532
Energy: 0.38814111497507253
Energy: 0.4374215920717276
Energy: 0.39985053563000006
Energy: 0.41164860279373866
Energy: 0.4115605585092352
Energy: 0.42583628834693493
Energy: 0.40987340194028626
Energy: 0.4394223850278559
Energy: 0.40676567992397117
Energy: 0.39321346303296495
Energy: 0.4200117987046833
Energy: 0.4076220564220669
Energy: 0.38897061242149333
Energy: 0.4277113248479986
Energy: 0.414821167102555
Energy: 0.4065889518997687
Energy: 0.42135862068402047
Energy: 0.41319934567015265
Energy: 0.4138522561131151
Energy: 0.427384197541608
Energy: 0.3998812739915094
Energy: 0.39980430863400473
Energy: 0.4211592700708638
Energy: 0.4005105015023865
Energy: 0.40098516457866584
Energy: 0.4398461562196321
Energy: 0.388280460284015
Energy: 0.3886510260267283
Energy: 0.3980448820164811
Energy: 0.3872523947508218
Energy: 0.4217350661776384
Energy: 0.44649219432961074
Energy: 0.40265819946955866
Energy: 0.3991875788076503
Energy: 0.41599681866776544
Energy: 0.4009815188750443
Energy: 0.3999080298189815
Energy: 0.4439487549223793
Energy: 0.39659404800256387
Energy: 0.3984978611205604
Energy: 0.4022642083182143
Energy: 0.40365881428249706
Energy: 0.40663145035918274
Energy: 0.4463630852965203
Energy: 0.4038168875169016
Energy: 0.3994483615647402
Energy: 0.3970222236007563
Energy: 0.4034875032636697
Energy: 0.3961936315877764
Energy: 0.4635085595400428
Energy: 0.3969472692925746
Energy: 0.40574647711812795
Energy: 0.4051920505211663
Energy: 0.4152373958444901
Energy: 0.3864477018702599

minimum gb energy = 0.3807652555475729 eV
minimum distance =  2.70189855834011 Angstroms
sigma value = 57


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

Energy: 0.19497657034814717
Energy: 0.33516756572224404
Energy: 0.19701491667735033
Energy: 0.19619187365630283
Energy: 0.2229986439847845
Energy: 0.19682889552235208
Energy: 0.1958600764206323
Energy: 0.20918095022732283
Energy: 0.2110259605999049
Energy: 0.22161616303072212
Energy: 0.22419512016276827
Energy: 0.21472320200429484
Energy: 0.24920691132254014
Energy: 0.2271312310158601
Energy: 0.21044564491673176
Energy: 0.2229579818395212
Energy: 0.2236711016593022
Energy: 0.2113653067681911
Energy: 0.2493332123464346
Energy: 0.22694842334385257
Energy: 0.20974195709416202
Energy: 0.2236385697182275
Energy: 0.2255862155936322
Energy: 0.2110236160940672
Energy: 0.24628399178664928
Energy: 0.198200598272581
Energy: 0.21009590296289046
Energy: 0.2275922011670093
Energy: 0.19635584682932392
Energy: 0.2123350605894116
Energy: 0.22336964307579416
Energy: 0.19689936241295203
Energy: 0.1974011756990124
Energy: 0.20744129451372306
Energy: 0.19945057642554437
Energy: 0.20972765270905103
Energy: 0.21978499516650096
Energy: 0.20936322393400664
Energy: 0.2114360937069952
Energy: 0.22067695386194747
Energy: 0.20767606334534738
Energy: 0.21518406818049063
Energy: 0.22335133802337792
Energy: 0.2090150502396959
Energy: 0.22702912401512026
Energy: 0.22335340452256447
Energy: 0.20883841218639848
Energy: 0.21011801271444766
Energy: 0.2462743584848467
Energy: 0.21069743005570382
Energy: 0.2163129886722808
Energy: 0.22337782179715313
Energy: 0.2227755162195973
Energy: 0.21100314602786235
Energy: 0.19567028021082555
Energy: 0.22586706328834646
Energy: 0.19767889289774923
Energy: 0.1958358811504528
Energy: 0.22280224672896357
Energy: 0.20930586632302378
Energy: 0.1957486120263361
Energy: 0.20884924778752492
Energy: 0.21143268293849649
Energy: 0.19598504929129587
Energy: 0.2074486738395482
Energy: 0.19819072742505478
Energy: 0.24798104448584476
Energy: 0.22547407469286895
Energy: 0.2149634043644302
Energy: 0.22173821691803922
Energy: 0.22279115242452452
Energy: 0.2144505874048613
Energy: 0.24922274698352176
Energy: 0.2508886917680892
Energy: 0.22824885365368291
Energy: 0.20955540966614164
Energy: 0.24951386258286526
Energy: 0.2266900907962695
Energy: 0.2469493509566401
Energy: 0.22519364313260026
Energy: 0.21152164323564068
Energy: 0.22304904440328752
Energy: 0.2227434102592008
Energy: 0.21376815021872278
Energy: 0.2493373280669281
Energy: 0.20198582588907366
Energy: 0.1968164633245765
Energy: 0.22367986007592658
Energy: 0.19772423342279707
Energy: 0.19702878405623406
Energy: 0.22163855839661287
Energy: 0.21052454905508114
Energy: 0.21501056476934685
Energy: 0.22240418479206453
Energy: 0.1961400936047417
Energy: 0.2116838580794861
Energy: 0.22312004356521836
Energy: 0.20403532134084737
Energy: 0.21632270893542396
Energy: 0.22336832243434718
Energy: 0.22392423201782025
Energy: 0.2111072647033034
Energy: 0.24872753957059496
Energy: 0.20937470217757093
Energy: 0.2120118148342799
Energy: 0.2491837920767994
Energy: 0.20940435654430978
Energy: 0.21017662468575152
Energy: 0.19579157490143692
Energy: 0.2090774356129594
Energy: 0.21050410367528594
Energy: 0.19609556653552554
Energy: 0.20877352074157934
Energy: 0.2128298879198387

minimum gb energy = 0.19497657034814717 eV
minimum distance =  2.74755595489057 Angstroms
sigma value = 11


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

Energy: 0.8200976462761944
Energy: 0.3351650897480777
Energy: 0.3988984768152645
Energy: 0.34652623556624235
Energy: 0.32633688601243754
Energy: 0.32488828225917515
Energy: 0.3310605677216673
Energy: 0.3339355906746286
Energy: 0.3295511344181097
Energy: 0.323800923959488
Energy: 0.3248504182854588
Energy: 0.32336406518912836
Energy: 0.32624755434760255
Energy: 0.3321427432564878
Energy: 0.32548108543120297
Energy: 0.326759630161883
Energy: 0.33140734307172104
Energy: 0.3247573154538699
Energy: 0.32589184754619716
Energy: 0.337702883469116
Energy: 0.3245907788989483
Energy: 0.32640359280469194
Energy: 0.325252747970738
Energy: 0.32397782345514653
Energy: 0.3210276543648808
Energy: 0.3867579795468165
Energy: 0.36160039892647955
Energy: 0.3325253526255247
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Energy: 0.32696435089984655
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Energy: 0.3644798353609404
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Energy: 0.5524773792434811
Energy: 0.36124395623407224
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Energy: 0.32320003320756274
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Energy: 0.35322478320637196
Energy: 0.387505769304938
Energy: 0.33412305293532085
Energy: 0.35843897451720846
Energy: 0.3869854689711022
Energy: 0.37429110159181683
Energy: 0.32709086954448613
Energy: 0.3670158659578269
Energy: 0.32478963814148865
Energy: 0.3326640806674847
Energy: 0.3645391554985387
Energy: 0.44233163303210526
Energy: 0.36158266374776604
Energy: 0.332165982630818
Energy: 0.32832501674688064
Energy: 0.3506146789892404
Energy: 0.33431551012927146
Energy: 0.5035531414381543
Energy: 0.3634699008565553
Energy: 0.35479762781559504
Energy: 0.36403711027502933
Energy: 0.38763226203269985
Energy: 0.35401692936202456
Energy: 0.46148251212946667
Energy: 0.34084776025874014
Energy: 0.34175254253921405
Energy: 0.4901200173302241
Energy: 0.3411702203100681
Energy: 0.31190177499897187
Energy: 0.3238938671363182
Energy: 0.36340832658766525
Energy: 0.35520208058976505
Energy: 0.331560641437377
Energy: 0.3606923392676215
Energy: 0.35438790021135175
Energy: 0.32385586422515267
Energy: 0.3259916511878465
Energy: 0.3250062249519316
Energy: 0.32364921285770487
Energy: 0.3274465504253336
Energy: 0.3283813095645337
Energy: 0.3947449898569709
Energy: 0.32687579974191633
Energy: 0.32500958619805276
Energy: 0.368050385100322
Energy: 0.3254576174483335
Energy: 0.328706908533484
Energy: 0.3704293328846112
Energy: 0.3249168694235732
Energy: 0.3253497300435333
Energy: 0.32088802407902584
Energy: 0.3355330250002052
Energy: 0.35225804240406117

minimum gb energy = 0.3111644331246491 eV
minimum distance =  2.71073914998693 Angstroms
sigma value = 41


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

Energy: 0.7708417250581463
Energy: 0.38194388389019734
Energy: 0.350441439072433
Energy: 0.4144444771171936
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Energy: 0.3568372962708329
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Energy: 0.39431104883976464
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Energy: 0.352525296409997
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Energy: 0.3651331662691717
Energy: 0.37945136191107465
Energy: 0.35457041236592773
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Energy: 0.3796067905231674
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Energy: 0.3942901378179953
Energy: 0.35265238202884786
Energy: 0.35154855716975064
Energy: 0.3621650637667786
Energy: 0.35325388374761424
Energy: 0.35155113101019986
Energy: 0.3940381111560156
Energy: 0.3555014485161674
Energy: 0.3559033056790241
Energy: 0.3537232376131537
Energy: 0.3635184842970489
Energy: 0.3601987498344051
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Energy: 0.35588703425843177
Energy: 0.3579776191931991
Energy: 0.3523052086943793
Energy: 0.3657540614804629
Energy: 0.3507362361044424
Energy: 0.39452485221146877
Energy: 0.3548204893819237
Energy: 0.35617681405752577
Energy: 0.36300499517291823
Energy: 0.3455285641590668
Energy: 0.35529629050325057
Energy: 0.3542123720448083
Energy: 0.3344029940984159
Energy: 0.3346613100780882
Energy: 0.3695514290041254
Energy: 0.33529770239376155
Energy: 0.3658808570486995
Energy: 0.35276424334496176
Energy: 0.35578355472109524
Energy: 0.35428426569920624
Energy: 0.3526646649261636
Energy: 0.355176143672501
Energy: 0.36020839648210595
Energy: 0.3536067392819313
Energy: 0.3505527004612855
Energy: 0.3494363615636528
Energy: 0.3535819759509236
Energy: 0.3521771319184073
Energy: 0.3488416406367297
Energy: 0.3519952422906792
Energy: 0.3544680825698598
Energy: 0.3539023609731389
Energy: 0.354245293208089
Energy: 0.35339347147983285
Energy: 0.3546063839769378
Energy: 0.5659899844052331
Energy: 0.3529621464771813
Energy: 0.3364250284243337
Energy: 0.3359318818974851
Energy: 0.3632277037555832
Energy: 0.33555456342547524

minimum gb energy = 0.3342198680813349 eV
minimum distance =  2.72029287045719 Angstroms
sigma value = 33


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

Energy: 0.4791881794085192
Energy: 0.38415948159376745
Energy: 0.3841021738434153
Energy: 0.3786059110923956
Energy: 0.4274549903848158
Energy: 0.38365487722670705
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Energy: 0.416644720866323
Energy: 0.37763354854502923
Energy: 0.3941863018613456
Energy: 0.41677521946370083
Energy: 0.37749216503437477
Energy: 0.3947984389419066
Energy: 0.3894798316102416
Energy: 0.39066772220607443
Energy: 0.37990049800295167
Energy: 0.39229453477852133
Energy: 0.4001119933898608
Energy: 0.3831065879007103
Energy: 0.4784596758951027
Energy: 0.36898561134863345
Energy: 0.3655227105282412
Energy: 0.3662154837022181
Energy: 0.37486996732377037
Energy: 0.36557017979152984

minimum gb energy = 0.3654891777382077 eV
minimum distance =  2.72630796397766 Angstroms
sigma value = 67


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

Energy: 0.5738517967070514
Energy: 0.4125391314596868
Energy: 0.41274174120428153
Energy: 0.4135329570213468
Energy: 0.431751953518654
Energy: 0.41227114941519494
Energy: 0.4543761170280812
Energy: 0.4051630009905774
Energy: 0.40495384007034807
Energy: 0.4055738121447171
Energy: 0.40696448589882256
Energy: 0.4047169691150811
Energy: 0.42570507599025104
Energy: 0.3921276846945858
Energy: 0.4074576960457947
Energy: 0.4067461522463059
Energy: 0.39086321768506405
Energy: 0.40730244281613864
Energy: 0.4255143386163421
Energy: 0.40629969999346777
Energy: 0.4065942107287813
Energy: 0.40509456627640644
Energy: 0.4063317102386888
Energy: 0.40660679172542885
Energy: 0.42615123808306427
Energy: 0.4061958522964552
Energy: 0.40644858919834126
Energy: 0.4264212606934709
Energy: 0.4061007247521198
Energy: 0.4065855049502333
Energy: 0.42715960361344363
Energy: 0.40748129543273187
Energy: 0.40818387741490125
Energy: 0.4274166550290613
Energy: 0.4073818699272963
Energy: 0.4082188392352029
Energy: 0.45409216974421307
Energy: 0.4054439348638279
Energy: 0.40488680092414
Energy: 0.3889273283896658
Energy: 0.4068886825569705
Energy: 0.40475452198158157

minimum gb energy = 0.3889273283896658 eV
minimum distance =  2.76728971977321 Angstroms
sigma value = 3


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

Energy: 0.6363795181416524
Energy: 0.5345843267085286
Energy: 0.46930083638208203
Energy: 0.4900730077627258
Energy: 0.5206736407737809
Energy: 0.48949287454784496
Energy: 0.489656856824153
Energy: 0.47959019253198254
Energy: 0.46647814345345223
Energy: 0.4766943589513898
Energy: 0.4794816877106654
Energy: 0.4670132715162878
Energy: 0.5041842570069646
Energy: 0.4885341555383561
Energy: 0.4884100162555928
Energy: 0.46829315028166574
Energy: 0.4892158258625021
Energy: 0.5163466347203207
Energy: 0.5012438126447115
Energy: 0.46767993801579144
Energy: 0.4671558182589116
Energy: 0.46825659656981256
Energy: 0.4879139665518432
Energy: 0.46801260242910486
Energy: 0.5060764182505896
Energy: 0.47288884324380576
Energy: 0.5113234254018592
Energy: 0.5067843867543603
Energy: 0.5052356717842704
Energy: 0.4669042081618784
Energy: 0.5000628050863289
Energy: 0.5050971544925805
Energy: 0.504972818854789
Energy: 0.46684578391888515
Energy: 0.5039650439133967
Energy: 0.503330171514153
Energy: 0.5012481586603044
Energy: 0.47342525498204013
Energy: 0.47226894654657026
Energy: 0.5049752421902488
Energy: 0.47338600636607486
Energy: 0.5069672156436585
Energy: 0.5887145423410016
Energy: 0.5184421980345618
Energy: 0.48889959315452347
Energy: 0.5086497726931124
Energy: 0.5016110237269734
Energy: 0.5159077893698016
Energy: 0.5015273423940189
Energy: 0.5075237385207795
Energy: 0.5103801806006804
Energy: 0.502588203430226
Energy: 0.5015933942991565
Energy: 0.5155247180101489
Energy: 0.508740991388552
Energy: 0.47534216207640356
Energy: 0.4794904694361882
Energy: 0.5181875355953419
Energy: 0.4796061864200496
Energy: 0.49123491684083004
Energy: 0.5338986294761316
Energy: 0.49237309931790085
Energy: 0.4857788438732709
Energy: 0.5253396622721711
Energy: 0.47208014417690325
Energy: 0.5187584119266286
Energy: 0.5300762155239664
Energy: 0.5129900930069546
Energy: 0.5008941825027902
Energy: 0.5142133175901933
Energy: 0.5018913580101863
Energy: 0.500030248671472
Energy: 0.4947361266074095
Energy: 0.5013586843913013
Energy: 0.5021121278214452
Energy: 0.47270363156550416
Energy: 0.5016479262846251
Energy: 0.5022283085925533
Energy: 0.517637592573686
Energy: 0.501183923108175
Energy: 0.5004737784671769
Energy: 0.5105743856793044
Energy: 0.5002549889577668
Energy: 0.500160513252482
Energy: 0.515259976774068
Energy: 0.524948202266073
Energy: 0.5170007420439077
Energy: 0.48115934377771014
Energy: 0.5249794623023775
Energy: 0.5043761724190818
Energy: 0.5382846239013515
Energy: 0.5215258490457512
Energy: 0.5019686356269175
Energy: 0.5194766110499299
Energy: 0.5198071580371284
Energy: 0.502891525807785
Energy: 0.5783958297747541
Energy: 0.48490947066605244
Energy: 0.48515256679792634
Energy: 0.577761903938858
Energy: 0.48484923008655617
Energy: 0.4905901601306164
Energy: 0.503875870431721
Energy: 0.4987294641114035
Energy: 0.5125976123896844
Energy: 0.5076222163513606
Energy: 0.4777433450362831
Energy: 0.5059316024809131
Energy: 0.5582742420799148
Energy: 0.5028039007344371
Energy: 0.5025008010322716
Energy: 0.5040942580742314
Energy: 0.5285965967108108
Energy: 0.47719836630556806
Energy: 0.5341818261035491
Energy: 0.497383575715969
Energy: 0.5005590449874304
Energy: 0.480098627940985
Energy: 0.49641433042619215
Energy: 0.4789252467730907
Energy: 0.5017218505792377
Energy: 0.5022455109194763
Energy: 0.5068996857514078
Energy: 0.5015394240486818
Energy: 0.5078465652577738
Energy: 0.5076975231381873
Energy: 0.502587519550032
Energy: 0.5033133289820731
Energy: 0.5006346545306594
Energy: 0.5037034101337241
Energy: 0.5040709715176122
Energy: 0.49921800755089774
Energy: 0.5049410641438741
Energy: 0.5019965432045808
Energy: 0.501850218622189
Energy: 0.5054302737560447
Energy: 0.499517600387516
Energy: 0.5028994457647974
Energy: 0.5026967404052389
Energy: 0.4833782507864113
Energy: 0.48335354383339313
Energy: 0.5026694351009667
Energy: 0.4834510600582261
Energy: 0.504055751442217
Energy: 0.4993072215869194
Energy: 0.5081366188131631
Energy: 0.5174114284630023
Energy: 0.5242446963933456
Energy: 0.4994825630979372
Energy: 0.5172143546528758
Energy: 0.5503039605970363
Energy: 0.545015450178985
Energy: 0.4903065302147404
Energy: 0.46774106318780473
Energy: 0.5218288272520125
Energy: 0.46831228223322985
Energy: 0.45391251281400147
Energy: 0.5267975138613793
Energy: 0.4835152279553952
Energy: 0.4765876574576148
Energy: 0.5223059895954689
Energy: 0.46873763952555064
Energy: 0.5000919060400218
Energy: 0.5130023118582698
Energy: 0.517134989032272
Energy: 0.5299999591652832
Energy: 0.5129100959483396
Energy: 0.517475102113028
Energy: 0.5067479588704643
Energy: 0.4891313986551444
Energy: 0.48891334156739774
Energy: 0.5067292403511788
Energy: 0.4895045283521006
Energy: 0.5068727124418752
Energy: 0.5010625687335405
Energy: 0.5059167180316833
Energy: 0.5060199950952685
Energy: 0.5017067245245453
Energy: 0.5036833703990112
Energy: 0.5037244492714975
Energy: 0.5023179706706644
Energy: 0.5153667735885658
Energy: 0.5064552535889936
Energy: 0.5037050592973651
Energy: 0.5210713016283413
Energy: 0.505661178680754
Energy: 0.5063682049707758
Energy: 0.5028617470300012
Energy: 0.5029576492985818
Energy: 0.5086957980722313
Energy: 0.5016673557926326
Energy: 0.5028732168023011
Energy: 0.5939442125889439
Energy: 0.5137580238053276
Energy: 0.5168315003501204
Energy: 0.48133981707387563
Energy: 0.5153760800707653
Energy: 0.4849587786644206
Energy: 0.4949680677559461
Energy: 0.4979712748121195
Energy: 0.5146021913808888
Energy: 0.4964875545636063
Energy: 0.5051777746202357
Energy: 0.4999243551320544
Energy: 0.5013965338138241
Energy: 0.49073833355182633
Energy: 0.4875228539865625
Energy: 0.49678694943278623
Energy: 0.49351107494510804
Energy: 0.514568070440283
Energy: 0.5298818165947835
Energy: 0.4752400313399196
Energy: 0.47947107427025265
Energy: 0.5291911533113591
Energy: 0.4791306890561801
Energy: 0.49332552830653914
Energy: 0.5307905524950427
Energy: 0.5073371445164301
Energy: 0.509331425311459
Energy: 0.5176306654564929
Energy: 0.5012602091258862
Energy: 0.5121856177262967
Energy: 0.4944231802088182
Energy: 0.5010512031476171
Energy: 0.49994046988132307
Energy: 0.4725587063471496
Energy: 0.5009883566836869
Energy: 0.5301909125980572
Energy: 0.5143316542310722
Energy: 0.5032316851333575
Energy: 0.49993163423179743
Energy: 0.510552463487247
Energy: 0.5024838210025966
Energy: 0.49999317873924076
Energy: 0.5142554622189862
Energy: 0.5036530942199318
Energy: 0.5068472321815803
Energy: 0.48065359346467157
Energy: 0.5037672997370206
Energy: 0.5077076462855823
Energy: 0.5415474396126717
Energy: 0.5004634166568072
Energy: 0.5013665334108858
Energy: 0.522633077440344
Energy: 0.5272733342586912
Energy: 0.5024531459447732
Energy: 0.5862514252358778
Energy: 0.48310201499589867
Energy: 0.49110499116053924
Energy: 0.5379783900367894
Energy: 0.48734010111173276
Energy: 0.5097444108123009
Energy: 0.5678482639882466
Energy: 0.4846138081865697
Energy: 0.48481509670172623
Energy: 0.5329885310959124
Energy: 0.4867931656722679
Energy: 0.4988436266984521
Energy: 0.5033825587313635
Energy: 0.5199479971814746
Energy: 0.5012322398480593
Energy: 0.5039800287638022
Energy: 0.5203897636972571
Energy: 0.5215247191785433
Energy: 0.6090479673156514
Energy: 0.45683175510938556
Energy: 0.5045827566612326
Energy: 0.5079343316326008
Energy: 0.4559452923696276
Energy: 0.5037419555127574
Energy: 0.5043324772000707
Energy: 0.4629326896472985
Energy: 0.4672919142409338
Energy: 0.5039175883932829
Energy: 0.46153100402457703
Energy: 0.5019124404484246
Energy: 0.5011024287789904
Energy: 0.5020707679384205
Energy: 0.5019918585644295
Energy: 0.5046612340346118
Energy: 0.5026416942935772
Energy: 0.5011774486109849
Energy: 0.5002213318491072
Energy: 0.46008055791761704
Energy: 0.5117526348651692
Energy: 0.46862277867113283
Energy: 0.46000904400202
Energy: 0.4713612428113664
Energy: 0.4994497160401432
Energy: 0.4812326603625746
Energy: 0.4675611868774145
Energy: 0.46701551257982976
Energy: 0.4812346028780259
Energy: 0.46878132533735606
Energy: 0.5063625339572171
Energy: 0.48094941526079793
Energy: 0.481822987754558
Energy: 0.4700042440423487
Energy: 0.4813907318630546
Energy: 0.4684031372295066
Energy: 0.489858449858049
Energy: 0.4593202880833136
Energy: 0.4722898536680717
Energy: 0.46973620290411217
Energy: 0.45878434668680607
Energy: 0.4729180368331866

minimum gb energy = 0.45391251281400147 eV
minimum distance =  2.68106396856757 Angstroms
sigma value = 81


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

Energy: 0.922166491292674
Energy: 0.4661218113850321
Energy: 0.4672914105731045
Energy: 0.4601839033602801
Energy: 0.50171755240362
Energy: 0.4607947782963229
Energy: 0.4491820960019877
Energy: 0.4689455305325015
Energy: 0.4750900293477071
Energy: 0.47414124058237445
Energy: 0.46545359792039487
Energy: 0.47632157084148713
Energy: 0.47546541146315036
Energy: 0.4558946236539733
Energy: 0.4558110624393914
Energy: 0.48198643066235547
Energy: 0.4659758951684303
Energy: 0.4879176640759349
Energy: 0.4690081758764096
Energy: 0.4672201564700539
Energy: 0.47048947286563725
Energy: 0.4692286049282598
Energy: 0.465942831891394
Energy: 0.47133934399505023
Energy: 0.47109213315463044
Energy: 0.4697241252162107
Energy: 0.4698198860732253
Energy: 0.47193228032795487
Energy: 0.4765454386226213
Energy: 0.4704508062523538
Energy: 0.47607444148596606
Energy: 0.4745724084825976
Energy: 0.47468101285428344
Energy: 0.4714719419414487
Energy: 0.47336208132480306
Energy: 0.47099621124153807
Energy: 0.46911189536973563
Energy: 0.4710366814825437
Energy: 0.470189279107009
Energy: 0.48989562502681666
Energy: 0.47063540002074683
Energy: 0.47234572397154473
Energy: 0.5570051314728185
Energy: 0.5113557047561422
Energy: 0.5037517659901339
Energy: 0.45035233225318017
Energy: 0.5034475795874713
Energy: 0.4684023392844966
Energy: 0.4634602812654403
Energy: 0.45643236981217183
Energy: 0.4780471277493378
Energy: 0.4786360447520724
Energy: 0.45657886663220065
Energy: 0.4677546109238852
Energy: 0.48000884422074686
Energy: 0.44096465498695564
Energy: 0.4410636473791047
Energy: 0.46440745907271624
Energy: 0.4402431099340157
Energy: 0.45035708724101664
Energy: 0.43383891473397773
Energy: 0.45238749527378036
Energy: 0.4521927559034494
Energy: 0.46257705302677177
Energy: 0.4400007227659039
Energy: 0.4636267929727718
Energy: 0.465068859730244
Energy: 0.45516546491514553
Energy: 0.4567946601804988
Energy: 0.46524667362752475
Energy: 0.46626083309455235
Energy: 0.4564557625400683
Energy: 0.46477007719170443
Energy: 0.4411530726369578
Energy: 0.489972181623621
Energy: 0.4658133753506165
Energy: 0.4836517193113197
Energy: 0.4651104699712531
Energy: 0.4332507942786128
Energy: 0.4788186745155994
Energy: 0.47950712919194527
Energy: 0.4620580688684898
Energy: 0.4829082219077246
Energy: 0.4789113116506123
Energy: 0.5795840101771584
Energy: 0.4726138502944104
Energy: 0.48936505638307626
Energy: 0.43699472587657334
Energy: 0.48849900509481814
Energy: 0.4349583832694931
Energy: 0.43237136169678886
Energy: 0.4261486200453157
Energy: 0.4372357095441306
Energy: 0.43375516470457326
Energy: 0.42707380933779804
Energy: 0.427184834292126
Energy: 0.523954236097536
Energy: 0.4499203261760149
Energy: 0.4498319032335712
Energy: 0.4938228667847586
Energy: 0.4500309115214619
Energy: 0.4572771083795738
Energy: 0.4271358056256549
Energy: 0.4274123945380237
Energy: 0.4259446274819387
Energy: 0.42666577238726655
Energy: 0.4269099985956286
Energy: 0.42693680685157376
Energy: 0.4286354422413878
Energy: 0.4275419460839002
Energy: 0.42861223200137455
Energy: 0.42768032297123915
Energy: 0.4264445405965953
Energy: 0.42627068608193486
Energy: 0.42799630894472057
Energy: 0.4272197349794565
Energy: 0.4284546094725919
Energy: 0.4262473634986993
Energy: 0.4264536213579175
Energy: 0.42955742959525217
Energy: 0.42694182793580376
Energy: 0.42658722990130654
Energy: 0.4371329725143246
Energy: 0.42711503941202866
Energy: 0.42669610865616536
Energy: 0.4408075190232511
Energy: 0.48371084599028646
Energy: 0.4595963509066624
Energy: 0.4760748039274892
Energy: 0.47908987079123183
Energy: 0.446991615291991
Energy: 0.47681371797778904
Energy: 0.4335190059572469
Energy: 0.42694530412720555
Energy: 0.440460236355065
Energy: 0.43538717271368993
Energy: 0.4267877357986182
Energy: 0.42649912592103434
Energy: 0.4918305760124054
Energy: 0.49053906060546015
Energy: 0.4336083974427419
Energy: 0.42745672884503505
Energy: 0.48974356631639565
Energy: 0.4277219888459106
Energy: 0.43328166038666677
Energy: 0.483652952608691
Energy: 0.482336711218002
Energy: 0.4693115352093748
Energy: 0.4797106929352282
Energy: 0.48160663920417746
Energy: 0.5224718554580364
Energy: 0.5121422540222736
Energy: 0.5025599246248302
Energy: 0.4563920646696905
Energy: 0.5123777982327508
Energy: 0.5051388091400173
Energy: 0.48856729659136816
Energy: 0.4724978090375862
Energy: 0.46740952200847163
Energy: 0.45873069032443475
Energy: 0.5042152555265227
Energy: 0.46716456561232794
Energy: 0.43312156508155536
Energy: 0.4533972716484657
Energy: 0.4814024586520749
Energy: 0.4781613146883227
Energy: 0.44056507222641283
Energy: 0.46615416061233506
Energy: 0.5239167117314472
Energy: 0.44082700275149667
Energy: 0.44064792632699906
Energy: 0.4647831886373354
Energy: 0.4399640747276408
Energy: 0.4422693974155955
Energy: 0.4675895805699767
Energy: 0.4569124258313236
Energy: 0.4553646862939454
Energy: 0.4637488335985814
Energy: 0.4567236329927657
Energy: 0.4830282257384074
Energy: 0.4644095171831271
Energy: 0.49316923442392535
Energy: 0.46874992071245375
Energy: 0.4659827121130338
Energy: 0.4932913695800453
Energy: 0.4645187085392383
Energy: 0.46757501112669514
Energy: 0.4658258938194007
Energy: 0.4608030009035896
Energy: 0.46368799787078124
Energy: 0.46539929648451805
Energy: 0.46720305566112696
Energy: 0.5395151429238696
Energy: 0.47105017547283246
Energy: 0.4713831776824884
Energy: 0.4764662173449519
Energy: 0.4712237288922758
Energy: 0.47289346518753533
Energy: 0.4751409617428063
Energy: 0.46853045001896626
Energy: 0.4691684988199828
Energy: 0.4750756127662137
Energy: 0.4749209074905865
Energy: 0.47581529910096676
Energy: 0.4746809016249742
Energy: 0.4758331655672018
Energy: 0.4757947288822539
Energy: 0.474871344269675
Energy: 0.4584204664325781
Energy: 0.4771660445790692
Energy: 0.529905177385648
Energy: 0.4566550926295787
Energy: 0.44998565699969706
Energy: 0.5104353294548828
Energy: 0.4567474502384781
Energy: 0.5148215780282128
Energy: 0.469388826701573
Energy: 0.4721684394192988
Energy: 0.47451119221879057
Energy: 0.4739955890266063
Energy: 0.4632732803444074
Energy: 0.47514216860568587
Energy: 0.5393006736986391
Energy: 0.4733656667127482
Energy: 0.46094936812660786
Energy: 0.45785265723395135
Energy: 0.4286130463306161
Energy: 0.4589271351934462

minimum gb energy = 0.4259446274819387 eV
minimum distance =  2.72249842711363 Angstroms
sigma value = 43


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

Energy: 0.6504452081368053
Energy: 0.4654384533319309
Energy: 0.4521401984091921
Energy: 0.4557018822909538
Energy: 0.538479060819094
Energy: 0.45318820055981324
Energy: 0.44067145797387824
Energy: 0.455358749207494
Energy: 0.4485089193676471
Energy: 0.47721819016887723
Energy: 0.44758723710950093
Energy: 0.45066783214299283
Energy: 0.44578890065686005
Energy: 0.4438357079946059
Energy: 0.44285829719926334
Energy: 0.4816395734978972
Energy: 0.444459412309239
Energy: 0.44762160567591786
Energy: 0.4479042427761898
Energy: 0.4435184039132217
Energy: 0.4521804549804676
Energy: 0.44804764058192026
Energy: 0.4522132689009512
Energy: 0.451185114976994
Energy: 0.4465318583163391
Energy: 0.45268233231061544
Energy: 0.4517159915091728
Energy: 0.4498515463363352
Energy: 0.4526570485907102
Energy: 0.45272159369121406
Energy: 0.4465165636384126
Energy: 0.45268704225481465
Energy: 0.4514704529632953
Energy: 0.4527078161253553
Energy: 0.45112276709901217
Energy: 0.45151299247394683
Energy: 0.4460314732118107
Energy: 0.44647726114506886
Energy: 0.4461749424632061
Energy: 0.4488163418236232
Energy: 0.4470607169291756
Energy: 0.45296094326057146
Energy: 0.5587642021962685
Energy: 0.4452576652863953
Energy: 0.4453716111443683
Energy: 0.4512640725331959
Energy: 0.44499753004565623
Energy: 0.4857780863816622
Energy: 0.4470108011321862
Energy: 0.4449484918368301
Energy: 0.44782087033357604
Energy: 0.4457511650454006
Energy: 0.44477333832305754
Energy: 0.45247667341956715
Energy: 0.5540483233242408
Energy: 0.452854697753547
Energy: 0.449666420442378
Energy: 0.4519206878608736
Energy: 0.45329186605528465
Energy: 0.4495097139055207
Energy: 0.45304305073731543
Energy: 0.4573422156425206
Energy: 0.46569488726624153
Energy: 0.445164105430047
Energy: 0.4466725704206152
Energy: 0.4609613359174474
Energy: 0.4523846107125823
Energy: 0.4455155921394328
Energy: 0.4454813849640906
Energy: 0.44720710236577765
Energy: 0.44528116244060373
Energy: 0.4510759258493859
Energy: 0.5221415053716348
Energy: 0.4468909836410213
Energy: 0.45331686997692694
Energy: 0.44597645735324776
Energy: 0.44795970115279804
Energy: 0.45330678273083674
Energy: 0.45305282821466825
Energy: 0.45309352520275703
Energy: 0.4505160584160649
Energy: 0.44656144504025863
Energy: 0.4478564331944765
Energy: 0.44848720056841435
Energy: 0.45290014853914545
Energy: 0.4541755803789423
Energy: 0.45005941599534727
Energy: 0.45808640064079653
Energy: 0.44836847154635584
Energy: 0.46301381081452564
Energy: 0.45230733078612095
Energy: 0.45277333875961356
Energy: 0.46276931550553213
Energy: 0.4521850684391257
Energy: 0.4549713646374876
Energy: 0.4558491205612377
Energy: 0.45246000284354015
Energy: 0.4633212716409474
Energy: 0.4643235879326244
Energy: 0.452512746541063
Energy: 0.45357376365511426
Energy: 0.46591179315670644
Energy: 0.4517940124497093
Energy: 0.4567724168759296
Energy: 0.462289253399142
Energy: 0.46249264026468734
Energy: 0.45726904102969534
Energy: 0.4581162752467515
Energy: 0.4481690185623703
Energy: 0.4521685179229656
Energy: 0.4574353641207231
Energy: 0.45347875286575784
Energy: 0.4523458353664962
Energy: 0.45268933192500005
Energy: 0.5189446254905167
Energy: 0.45219706580671326
Energy: 0.4574172349317113
Energy: 0.454497374969184
Energy: 0.4782082398811377
Energy: 0.4484383963900086
Energy: 0.4514651481922223
Energy: 0.4573141801296375
Energy: 0.4568502136906332
Energy: 0.4606867564664407
Energy: 0.4531275774199134
Energy: 0.4613638121223702
Energy: 0.504871351482453
Energy: 0.4533666587015172
Energy: 0.48824409599294105
Energy: 0.497298606871659
Energy: 0.44182196961602643
Energy: 0.48415345363753387
Energy: 0.4579224085386364
Energy: 0.45684793078526376
Energy: 0.45707304951549405
Energy: 0.4611961885709866
Energy: 0.46493338173776116
Energy: 0.46150814768997606
Energy: 0.4854929348581765
Energy: 0.47991259269056674
Energy: 0.4521891137760109
Energy: 0.4576153890509614
Energy: 0.4523110855605849
Energy: 0.4524369962254936
Energy: 0.4583604528324277
Energy: 0.45192394451695556
Energy: 0.4520751222923827
Energy: 0.4572925228849055
Energy: 0.45168573166801257
Energy: 0.45728175355138495
Energy: 0.47918875434241737
Energy: 0.4583586240903749
Energy: 0.45846536799113957
Energy: 0.44862079141265154
Energy: 0.4527915172164407
Energy: 0.46479112317713855
Energy: 0.47896355268287943
Energy: 0.4536722620711286
Energy: 0.45754403210113753
Energy: 0.4449692267752746
Energy: 0.45723250343431676
Energy: 0.4617355376866488
Energy: 0.48078132796097384
Energy: 0.45403874515767906
Energy: 0.45198207999937107
Energy: 0.4452318565295017
Energy: 0.44876082677908946
Energy: 0.45190531213277757
Energy: 0.4450329819196133
Energy: 0.4479925450585054
Energy: 0.4475567281519381
Energy: 0.44490673804756603
Energy: 0.4512511715326691
Energy: 0.4475035967788496
Energy: 0.4478197361526655
Energy: 0.4505462585971626
Energy: 0.4519997476626755
Energy: 0.4767883632547095
Energy: 0.4465751191807494
Energy: 0.4480924867333244
Energy: 0.6038347588969439
Energy: 0.4767236357754328
Energy: 0.46257949304100954
Energy: 0.45949380071027546
Energy: 0.47745445930792346
Energy: 0.44183112231177957

minimum gb energy = 0.44067145797387824 eV
minimum distance =  2.69354497026958 Angstroms
sigma value = 57


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

Energy: 0.553746766987569
Energy: 0.45627813519851185
Energy: 0.45662116397486463
Energy: 0.43608247526314803
Energy: 0.5069609617203482
Energy: 0.4567570012756792
Energy: 0.4318005815319359
Energy: 0.4494583860145966
Energy: 0.44063197769575707
Energy: 0.44137338887141897
Energy: 0.4407054833256484
Energy: 0.4491887693215784
Energy: 0.44131687591254215
Energy: 0.42547473713288814
Energy: 0.4257273770135449
Energy: 0.45330380989576186
Energy: 0.4256483710907249
Energy: 0.4266670214825227
Energy: 0.45418017234742425
Energy: 0.4252619046856263
Energy: 0.42562326918907334
Energy: 0.45459341240151185
Energy: 0.4252062359636528
Energy: 0.45050388573646694
Energy: 0.46019893996449235
Energy: 0.4414827757534534
Energy: 0.44222771250300963
Energy: 0.45123942250159543
Energy: 0.4465598738295118
Energy: 0.44067701496001627
Energy: 0.42574656673675837
Energy: 0.44157848059874427
Energy: 0.4414781852648792
Energy: 0.44276143301744286
Energy: 0.44589908414463564
Energy: 0.43889082407465907
Energy: 0.44094441580312327
Energy: 0.4589126447095996
Energy: 0.4498976548554706
Energy: 0.44281141957400705
Energy: 0.45671187705979166
Energy: 0.4488301096617581
Energy: 0.46325616900128846
Energy: 0.44865216135980573
Energy: 0.4401076369827559
Energy: 0.4427937949983016
Energy: 0.44845627124860116
Energy: 0.4503020952976743
Energy: 0.4419623624329266
Energy: 0.4644866173147174
Energy: 0.44565627766622035
Energy: 0.441107171364537
Energy: 0.46163751811994536
Energy: 0.4491072081410949
Energy: 0.44500139379726633
Energy: 0.44828567188443497
Energy: 0.4531795915767746
Energy: 0.44461159228658614
Energy: 0.443694482365497
Energy: 0.45433636553275913
Energy: 0.4685054110616724
Energy: 0.442573017674748
Energy: 0.44758867502099364
Energy: 0.4531892992517545
Energy: 0.45173639790030806
Energy: 0.4456699278334631
Energy: 0.43260987037714627
Energy: 0.4599588047002172
Energy: 0.4454691428784208
Energy: 0.43399014411770875
Energy: 0.4822521008084914
Energy: 0.42505225659407087
Energy: 0.4330036347154119
Energy: 0.453988285949113
Energy: 0.473138444464666
Energy: 0.42494410328739035
Energy: 0.45746075672573283
Energy: 0.47426830719513474
Energy: 0.4410260679918768
Energy: 0.44725390966783896
Energy: 0.45052047995388256
Energy: 0.4410226330411169
Energy: 0.4660903135719553
Energy: 0.4458415800470343
Energy: 0.441864779771234
Energy: 0.4329164151845063
Energy: 0.43626284424876816
Energy: 0.4425750064281324
Energy: 0.4329287609476872
Energy: 0.4362458118500714
Energy: 0.45870411386808274
Energy: 0.44703197592185573
Energy: 0.4467156505802948
Energy: 0.45715493307422694
Energy: 0.4449936897358663
Energy: 0.4488296288904403
Energy: 0.4620855404574915
Energy: 0.44059501510569216
Energy: 0.4404666889439108
Energy: 0.444446368514992
Energy: 0.44631954294895465
Energy: 0.439913417612877
Energy: 0.46166021639615235
Energy: 0.4462824635386909
Energy: 0.44510189250218624
Energy: 0.44725202685156873
Energy: 0.4483226642925678
Energy: 0.4398664912517135
Energy: 0.46687302523249136
Energy: 0.45575910560079697
Energy: 0.44857135387494673
Energy: 0.4445195146592081
Energy: 0.45450193037803305
Energy: 0.4459446694768516
Energy: 0.4671973347238197
Energy: 0.4544072372982887
Energy: 0.45522053411044894
Energy: 0.4448684726547099
Energy: 0.4543927437009173
Energy: 0.4469943948811714
Energy: 0.45310128591010856
Energy: 0.4646208782763235
Energy: 0.44050432401081574
Energy: 0.44070792501815714
Energy: 0.4638011021057883
Energy: 0.44106857565704455
Energy: 0.4874358760747024
Energy: 0.4480481017892866
Energy: 0.44386009801789617
Energy: 0.44189034594837706
Energy: 0.44858008169669694
Energy: 0.44360497764870616
Energy: 0.4408499349110038
Energy: 0.4637310845595457
Energy: 0.4426394612411715
Energy: 0.44037577879994216
Energy: 0.4653382153644204
Energy: 0.44567422087586467
Energy: 0.4330858158776276
Energy: 0.4543452197540743
Energy: 0.47285826399623626
Energy: 0.42519754775392016
Energy: 0.44300435659891957
Energy: 0.47408631684665964

minimum gb energy = 0.42494410328739035 eV
minimum distance =  2.67401408641965 Angstroms
sigma value = 17


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

Energy: 0.7278332115697032
Energy: 0.5005612642181277
Energy: 0.5388109283568953
Energy: 0.43481272157358714
Energy: 0.46957824637149664
Energy: 0.45221558977543036
Energy: 0.43655465836944846
Energy: 0.4824071303811271
Energy: 0.4443069363268591
Energy: 0.48902911149123224
Energy: 0.4877721041463615
Energy: 0.445732362582884
Energy: 0.46463455763916706
Energy: 0.41932800395662106
Energy: 0.42881943679197787
Energy: 0.4741052611696433
Energy: 0.4189827864591074
Energy: 0.42915774012954516
Energy: 0.47367186533078154
Energy: 0.4286629102066589
Energy: 0.4326051187485657
Energy: 0.47363975181601825
Energy: 0.4256928472008162
Energy: 0.4467501121573159
Energy: 0.4274872902620097
Energy: 0.418406280057197
Energy: 0.4175445459375036
Energy: 0.428009813225574
Energy: 0.4224297156148754
Energy: 0.4116456756790881
Energy: 0.43068078948533584
Energy: 0.4181724073805799
Energy: 0.4203908776228416
Energy: 0.4053884091112909
Energy: 0.4255183169554918
Energy: 0.40422532596347127
Energy: 0.42427088310618116
Energy: 0.4220466769910954
Energy: 0.422353957008246
Energy: 0.42342498701320297
Energy: 0.4245257800989333
Energy: 0.4125336005437688
Energy: 0.41386759734164197
Energy: 0.4029692460472316
Energy: 0.4031253090020395
Energy: 0.4027484600507294
Energy: 0.4024937783172936
Energy: 0.4023889225263017
Energy: 0.42343441376338115
Energy: 0.4010740806291298
Energy: 0.4007857905331769
Energy: 0.42441300936559306
Energy: 0.4023329394255532
Energy: 0.4129889880168694
Energy: 0.42577393670658664
Energy: 0.4143888182350081
Energy: 0.41466887016945364
Energy: 0.42556610562277747
Energy: 0.4134289262458017
Energy: 0.42034202424444894
Energy: 0.4026269532265015
Energy: 0.41134304456865367
Energy: 0.4114910198916507
Energy: 0.4224026944251926
Energy: 0.42853298297741055
Energy: 0.4175722481017981
Energy: 0.4281522507728064
Energy: 0.4744195043122587
Energy: 0.4748363255824334
Energy: 0.413417281371945
Energy: 0.48011126710114566
Energy: 0.44717352426803747
Energy: 0.429756810671174
Energy: 0.47176297003229134
Energy: 0.47209663258709994
Energy: 0.412285501507965
Energy: 0.4733299588775827
Energy: 0.46893513797316216
Energy: 0.48635865435616465
Energy: 0.4857936101934976
Energy: 0.44044768723427263
Energy: 0.48940310090853656
Energy: 0.4897211963101303
Energy: 0.44528978100419353
Energy: 0.45578595655974874
Energy: 0.47438111521228793
Energy: 0.47790239730145206
Energy: 0.47393973737607425
Energy: 0.47074995530263947
Energy: 0.46726651681246273
Energy: 0.458767666351674
Energy: 0.4857758921894024
Energy: 0.4392141950081456
Energy: 0.489388624266751
Energy: 0.4895562541218437
Energy: 0.4782550025789135
Energy: 0.40860468381949344
Energy: 0.47175059268588426
Energy: 0.50196615191871
Energy: 0.4354534331344743
Energy: 0.4701165663904275
Energy: 0.5015979390704076

minimum gb energy = 0.4007857905331769 eV
minimum distance =  2.66002786630812 Angstroms
sigma value = 17


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

Energy: 0.7684733511786109
Energy: 0.5131805554311231
Energy: 0.43065248176666626
Energy: 0.4300728218140262
Energy: 0.482823471051328
Energy: 0.4284735001459453
Energy: 0.43129540125181703
Energy: 0.39334564808625433
Energy: 0.3928588017419682
Energy: 0.46185879655994394
Energy: 0.4779976799818246
Energy: 0.43192819692470447
Energy: 0.5604192705362343
Energy: 0.37738040895445
Energy: 0.4066921223329033
Energy: 0.48068879295664296
Energy: 0.3773713804793624
Energy: 0.42090996218234084
Energy: 0.47765928805377617
Energy: 0.4179453678702428
Energy: 0.4199335108683407
Energy: 0.47793630743608667
Energy: 0.38281928263584913
Energy: 0.43136466340957336
Energy: 0.4167663061307592
Energy: 0.3937090575016526
Energy: 0.3946878837461817
Energy: 0.41709476410818747
Energy: 0.408053473999867
Energy: 0.3929196610196496
Energy: 0.4205441146845819
Energy: 0.40070072143468605
Energy: 0.37577514730955447
Energy: 0.3777989797772491
Energy: 0.41100573434666143
Energy: 0.376233736178041
Energy: 0.38407066569350096
Energy: 0.4156765389299155
Energy: 0.41090089987535205
Energy: 0.3721254840200876
Energy: 0.4130140289733863
Energy: 0.37161125308346993
Energy: 0.3982725821713546
Energy: 0.3655359266105756
Energy: 0.3693189395781804
Energy: 0.3710307209252177
Energy: 0.3649248767545338
Energy: 0.37150407761204013
Energy: 0.3845842016463436
Energy: 0.3709513490887044
Energy: 0.38240122910084096
Energy: 0.3853129501529013
Energy: 0.37874252003480857
Energy: 0.38403980900193274
Energy: 0.3840438948757401
Energy: 0.3666945221412803
Energy: 0.36686414568634473
Energy: 0.3841621395371178
Energy: 0.36638081867407546
Energy: 0.36700393776118057
Energy: 0.39320157810317136
Energy: 0.366991138133975
Energy: 0.36626028653338155
Energy: 0.3661438406845869
Energy: 0.3841539615084895
Energy: 0.36633683913820064
Energy: 0.38568222625885407
Energy: 0.3842048747311975
Energy: 0.3838631471293969
Energy: 0.3917631726460764
Energy: 0.38706519326001454
Energy: 0.3825993716058381
Energy: 0.39369914455835847
Energy: 0.37266498895274525
Energy: 0.370009570791552
Energy: 0.3720316650307443
Energy: 0.3731522488459147
Energy: 0.37002173976812835
Energy: 0.4105971760341179
Energy: 0.3715862904619036
Energy: 0.37132734382286137
Energy: 0.4114250428965773
Energy: 0.37133160838652984
Energy: 0.4109487251965462
Energy: 0.4112167850928749
Energy: 0.37679515396380203
Energy: 0.3714886846595391
Energy: 0.41108379786002874
Energy: 0.3749861297636986
Energy: 0.39286116255707976
Energy: 0.4750623977970749
Energy: 0.4009341829723812
Energy: 0.39917115861458063
Energy: 0.4081436068416369
Energy: 0.41733353240146115
Energy: 0.3973666514044396
Energy: 0.3845076370523111
Energy: 0.4766839952589027
Energy: 0.46822595077760315
Energy: 0.3818300251461921
Energy: 0.4805983071916142
Energy: 0.40167505422725774
Energy: 0.3846880130205846
Energy: 0.47192746784599127
Energy: 0.4651485632497166
Energy: 0.4118606180965756
Energy: 0.4803616731553933
Energy: 0.407941646620654
Energy: 0.4750089080693629
Energy: 0.4638453808469582
Energy: 0.4358785687407738
Energy: 0.4158478647169456
Energy: 0.4010629797995168
Energy: 0.3940075352820569
Energy: 0.5598648454819312
Energy: 0.4075784093190561
Energy: 0.40744610265513515
Energy: 0.47732090716133846
Energy: 0.40664835676755723
Energy: 0.44629983617444446
Energy: 0.5171691674268651
Energy: 0.4518213850315869
Energy: 0.43258103996870656
Energy: 0.47773725663744704
Energy: 0.45724073342438987
Energy: 0.4518610608245605
Energy: 0.3901321552428951
Energy: 0.4577238319376411
Energy: 0.4947338853919775
Energy: 0.4209547271310836
Energy: 0.47986096962550095
Energy: 0.42642546387433017
Energy: 0.39190387301891105
Energy: 0.4655393057664304
Energy: 0.4573340353397772
Energy: 0.39487681821190707
Energy: 0.47326064933733936
Energy: 0.4526894518118182
Energy: 0.5605786665590643
Energy: 0.4138697757625981
Energy: 0.3893593630605816
Energy: 0.4775086478504647
Energy: 0.38695454762970166
Energy: 0.44726816753292264
Energy: 0.47667695367336155
Energy: 0.37867953269566357
Energy: 0.40702670224269344
Energy: 0.4767998366837626
Energy: 0.378557747048418
Energy: 0.41423533301374416
Energy: 0.4175515959437902
Energy: 0.4072970164882818
Energy: 0.39420090924791906
Energy: 0.4178650831460388
Energy: 0.4085468025038313
Energy: 0.4084493713171827
Energy: 0.4000472570760352
Energy: 0.4021508899365522
Energy: 0.4059371973970459
Energy: 0.3771218820812868
Energy: 0.40217238256067905
Energy: 0.37758614696480214
Energy: 0.3816379764455715
Energy: 0.4149231912712525
Energy: 0.41102212804533916
Energy: 0.38213676758268805
Energy: 0.4122133593117674
Energy: 0.4109226404309682
Energy: 0.38446687157644127
Energy: 0.3718833799086971
Energy: 0.37182433778580587
Energy: 0.3710020537986959
Energy: 0.4113757688585152
Energy: 0.3715392415728541
Energy: 0.3838034934621715
Energy: 0.3652395182545144
Energy: 0.37081576146264117
Energy: 0.3838533037483971
Energy: 0.36476546142294064
Energy: 0.3692763441576952
Energy: 0.38716958409754204
Energy: 0.36617506570268826
Energy: 0.36591295598208207
Energy: 0.387895162240433
Energy: 0.3659428059169276
Energy: 0.36564337750395626
Energy: 0.3916565076129382
Energy: 0.3665023411965841
Energy: 0.36647135083039223
Energy: 0.3660004123516239
Energy: 0.36718038482062826
Energy: 0.3666172771201773
Energy: 0.3910832613958081
Energy: 0.3877374059703313
Energy: 0.38420343392864775
Energy: 0.393476206061126
Energy: 0.3848870616451582
Energy: 0.38403313795864974
Energy: 0.38103453169639895
Energy: 0.37392236269281987
Energy: 0.3712877181841466
Energy: 0.371458663557139
Energy: 0.3692977437839396
Energy: 0.37142318152744874
Energy: 0.4153761851978011
Energy: 0.370447635948803
Energy: 0.3706789666346494
Energy: 0.4159254866624966
Energy: 0.3703257249371294
Energy: 0.37120296213511794
Energy: 0.415711690263675
Energy: 0.3709147118384624
Energy: 0.39249367943436964
Energy: 0.4108683100791568
Energy: 0.3709883728956049
Energy: 0.4084457910033324
Energy: 0.5302290001845593
Energy: 0.38851446445471777
Energy: 0.3889402381445235
Energy: 0.40838743050501075
Energy: 0.4149072622714404
Energy: 0.3928816262720499
Energy: 0.3880959364053795
Energy: 0.4778790388211537
Energy: 0.4080883455069978
Energy: 0.4018354092290858
Energy: 0.4775816963035032
Energy: 0.4083182044523927
Energy: 0.40591029275804663
Energy: 0.4474106945571637
Energy: 0.4068497737348284
Energy: 0.3934684612624514
Energy: 0.45695233406351143
Energy: 0.406729912978339
Energy: 0.41108620544545754
Energy: 0.46300816713002424
Energy: 0.442465950648929
Energy: 0.4174646987974124
Energy: 0.4789828596601363
Energy: 0.4318249785634221
Energy: 0.5317477688823052
Energy: 0.40176674719733074
Energy: 0.44812256573358816
Energy: 0.48040498554245037
Energy: 0.40190649048885196
Energy: 0.45415994464453285
Energy: 0.5594498800968052
Energy: 0.43215618018767366
Energy: 0.3932340665877401
Energy: 0.4778499775959625
Energy: 0.40647273365478176
Energy: 0.4499637987376407
Energy: 0.3926421004634986
Energy: 0.47163208706365656
Energy: 0.47153049438890265
Energy: 0.38889189224544524
Energy: 0.47313955452067524
Energy: 0.4525075838947633

minimum gb energy = 0.36476546142294064 eV
minimum distance =  2.67762069371349 Angstroms
sigma value = 57


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

Energy: 0.6884596131575174
Energy: 0.46953080878100795
Energy: 0.4108543039817094
Energy: 0.3616830347730158
Energy: 0.5110017008504255
Energy: 0.41733010768945683
Energy: 0.42090744338041525
Energy: 0.37053999963669554
Energy: 0.3751852552984749
Energy: 0.4491913234119841
Energy: 0.39060953107835367
Energy: 0.3703678729529475
Energy: 0.5293513783468344
Energy: 0.355999442795811
Energy: 0.3563516944428271
Energy: 0.4643000669936054
Energy: 0.35587628031782204
Energy: 0.3922301735362401
Energy: 0.456007017144212
Energy: 0.35565663910549805
Energy: 0.4056166974483172
Energy: 0.39316730815678574
Energy: 0.3562520739532423
Energy: 0.4105308268258105
Energy: 0.3946431908645321
Energy: 0.37584058635362927
Energy: 0.3752596714068244
Energy: 0.3948684426791896
Energy: 0.39076918098620206
Energy: 0.37079724776183903
Energy: 0.36870074722112267
Energy: 0.3745606057309479
Energy: 0.3550942039159999
Energy: 0.3450388425567765
Energy: 0.39907522014764946
Energy: 0.3555121281204318
Energy: 0.36735240639465844
Energy: 0.40356565569904146
Energy: 0.39918901695445175
Energy: 0.34989027358871655
Energy: 0.40145633917345613
Energy: 0.3485935309893972
Energy: 0.43118287533282174
Energy: 0.3442721561111823
Energy: 0.3446955741216058
Energy: 0.3510153459822557
Energy: 0.3390749334628336
Energy: 0.35347865396843836
Energy: 0.3690000420787359
Energy: 0.3636526197249489
Energy: 0.36237518770564664
Energy: 0.3700951621189103
Energy: 0.3713594358111795
Energy: 0.36728815009141097
Energy: 0.3671637555058254
Energy: 0.33930874411379125
Energy: 0.337006151890829
Energy: 0.367127014712095
Energy: 0.33960835013710594
Energy: 0.33704225634796353
Energy: 0.35627452518223784
Energy: 0.35370846999501826
Energy: 0.3394792237888826
Energy: 0.33859699564628387
Energy: 0.352808027858379
Energy: 0.3359809938342059
Energy: 0.36951484461342304
Energy: 0.3581163145538084
Energy: 0.3527852970501139
Energy: 0.3545799139805301
Energy: 0.3555337267762853
Energy: 0.3362476707393269
Energy: 0.35296607612237935
Energy: 0.3698682283989463
Energy: 0.33797379842002456
Energy: 0.336735419510131
Energy: 0.37269532246079234
Energy: 0.33807440534025485
Energy: 0.35344662958159095
Energy: 0.33654823399458916
Energy: 0.34717271863754656
Energy: 0.354530567986859
Energy: 0.355587034990782
Energy: 0.35294804339129104
Energy: 0.3527654867376937
Energy: 0.33775266203089216
Energy: 0.3364695049990984
Energy: 0.3528982034974216
Energy: 0.3397333523574615
Energy: 0.33587217313648854
Energy: 0.37589322164600847
Energy: 0.3671073078535391
Energy: 0.3392889818849895
Energy: 0.33947579221541613
Energy: 0.3737817245503248
Energy: 0.33895109673743734
Energy: 0.35413146934896345
Energy: 0.37374004951723244
Energy: 0.36706761091429035
Energy: 0.3379159250287506
Energy: 0.3712924738608207
Energy: 0.3513129962787917
Energy: 0.3547486131571538
Energy: 0.3524323778663878
Energy: 0.3526491288749418
Energy: 0.3554870945530849
Energy: 0.35202433688494517
Energy: 0.3510719486598532
Energy: 0.39932233393835687
Energy: 0.3508173584349856
Energy: 0.38985783571865773
Energy: 0.40036724111993427
Energy: 0.35359143749025035
Energy: 0.39924934027740255
Energy: 0.45274344395441524
Energy: 0.3550165289885392
Energy: 0.3559960167260807
Energy: 0.3909782117497514
Energy: 0.3529655898636064
Energy: 0.3741715712149184
Energy: 0.5016869308252502
Energy: 0.3924598884988035
Energy: 0.3691605161626235
Energy: 0.39328755140846106
Energy: 0.3917019483709607
Energy: 0.37391779300170797
Energy: 0.3533974166132947
Energy: 0.44249385294301535
Energy: 0.38978410394425395
Energy: 0.3484331540787746
Energy: 0.4652960019162911
Energy: 0.37387327437076584
Energy: 0.3702003862459527
Energy: 0.4251121143872657
Energy: 0.4190812756885967
Energy: 0.3602611004467278
Energy: 0.4615707628879632
Energy: 0.41675808419555266
Energy: 0.49827138315787173
Energy: 0.3919749572482501
Energy: 0.37161474793378063
Energy: 0.41525798192472524
Energy: 0.3896117974483357
Energy: 0.3759290237295994
Energy: 0.5376924906502758
Energy: 0.37068856671089545
Energy: 0.3776104836440038
Energy: 0.4394849077587548
Energy: 0.37093594025237636
Energy: 0.42779801375081095
Energy: 0.5302796886328435
Energy: 0.4216886762120747
Energy: 0.42532024913212224
Energy: 0.4465852046322732
Energy: 0.43778018140241365
Energy: 0.39270757641290704
Energy: 0.3563756937019633
Energy: 0.430331505027488
Energy: 0.4146708508800326
Energy: 0.35811183073334624
Energy: 0.42594727602378774
Energy: 0.3927337622101495

minimum gb energy = 0.33587217313648854 eV
minimum distance =  2.72338918537522 Angstroms
sigma value = 43


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

Energy: 0.3067344233654353
Energy: 0.3689305691721439
Energy: 0.3591912351956066
Energy: 0.3060169370582396
Energy: 0.4146935092110373
Energy: 0.34085714776023873
Energy: 0.4392920013661241
Energy: 0.31113820997534125
Energy: 0.31042430845899704
Energy: 0.3743656493375664
Energy: 0.33904908985928733
Energy: 0.3097000131553317
Energy: 0.45697406227734866
Energy: 0.2960451303966512
Energy: 0.30444706850681463
Energy: 0.347334967227924
Energy: 0.2949706742294595
Energy: 0.3063332498383799
Energy: 0.4004734280648159
Energy: 0.3042340608979282
Energy: 0.3067358091870198
Energy: 0.3427131281511687
Energy: 0.30877026021776294
Energy: 0.3529110807184532
Energy: 0.35536462879513997
Energy: 0.31521719706416457
Energy: 0.3059621523462803
Energy: 0.3456153730908537
Energy: 0.31258958738298176
Energy: 0.31063960217212105
Energy: 0.29691722543418014
Energy: 0.3106855256972191
Energy: 0.3001908239464073
Energy: 0.2844878395129296
Energy: 0.355776819507727
Energy: 0.29209445617945257
Energy: 0.4212117480786307
Energy: 0.35574629072995206
Energy: 0.355959597396329
Energy: 0.2918312459276475
Energy: 0.35824169546081086
Energy: 0.29090749291661017
Energy: 0.41743761130130963
Energy: 0.28311256236012056
Energy: 0.28734225118678225
Energy: 0.2898891369269036
Energy: 0.28317649977112
Energy: 0.28718860333474006
Energy: 0.32877929027317065
Energy: 0.2867028267560525
Energy: 0.31575898549889586
Energy: 0.3296506469742278
Energy: 0.29498454973462523
Energy: 0.32768106754853055
Energy: 0.3282978553598889
Energy: 0.2826510916935987
Energy: 0.2824935361204804
Energy: 0.32812259965538637
Energy: 0.28215228526494834
Energy: 0.2820707378164562
Energy: 0.2943899456880207
Energy: 0.31069642865674507
Energy: 0.28162920968990396
Energy: 0.3010348598349725
Energy: 0.3107600038105651
Energy: 0.2789087733701154
Energy: 0.329981651300321
Energy: 0.310711834943442
Energy: 0.31068487947320644
Energy: 0.2907861648444545
Energy: 0.31457237697889573
Energy: 0.2788645527164962
Energy: 0.3299887531601005
Energy: 0.3008813833141611
Energy: 0.30451981754886875
Energy: 0.3040035274877849
Energy: 0.3009265030899743
Energy: 0.3050782671528996
Energy: 0.3004038440095053
Energy: 0.2776062278467583
Energy: 0.30033722157519255
Energy: 0.3012953870738521
Energy: 0.29595517084029915
Energy: 0.3004647757301289
Energy: 0.30048556803427684
Energy: 0.27555588125063923
Energy: 0.2751895318719214
Energy: 0.3004563439144865
Energy: 0.2754881667699463
Energy: 0.2775112504171389
Energy: 0.2973106863465202
Energy: 0.2957993527902196
Energy: 0.2740857112877925
Energy: 0.28819910440596136
Energy: 0.29571944959965146
Energy: 0.27464043563978086
Energy: 0.30223459795215524
Energy: 0.29574548941539475
Energy: 0.29634965057982066
Energy: 0.2900995339832435
Energy: 0.2958009806520469
Energy: 0.276289890272823
Energy: 0.2959183585771991
Energy: 0.29953905342806025
Energy: 0.2758316472254441
Energy: 0.29613456827897866
Energy: 0.2976319529526376
Energy: 0.2761284422638423
Energy: 0.295991040651067
Energy: 0.2906924159225771
Energy: 0.29601943973824063
Energy: 0.2962558217129179
Energy: 0.32639550722505645
Energy: 0.29586050630043137
Energy: 0.2957082679680708
Energy: 0.2987405788532934
Energy: 0.2787792563753807
Energy: 0.2988248050857574
Energy: 0.29833800346945044
Energy: 0.2791153788844103
Energy: 0.312295365626015
Energy: 0.3005111248212413
Energy: 0.3011286782715706
Energy: 0.2987366147596292
Energy: 0.300532518968173
Energy: 0.2793476397466755
Energy: 0.29653509941371664
Energy: 0.3005452289187403
Energy: 0.27737584245870744
Energy: 0.2769266610518751
Energy: 0.30044896312787567
Energy: 0.2760080611214688
Energy: 0.31064761614563374
Energy: 0.27747258589588597
Energy: 0.2770776653201788
Energy: 0.31061062749776464
Energy: 0.276670337068532
Energy: 0.2768570869586804
Energy: 0.31046446300677316
Energy: 0.2821032870703016
Energy: 0.3104569320213961
Energy: 0.31140912208466676
Energy: 0.29136947520822976
Energy: 0.31048521799502143
Energy: 0.4073908621523374
Energy: 0.2917898576586027
Energy: 0.29727904027041774
Energy: 0.2964405675656352
Energy: 0.29207811739587974
Energy: 0.31312461239654094
Energy: 0.40714911000311466
Energy: 0.3278228602055851
Energy: 0.32799703526119833
Energy: 0.28160595766833546
Energy: 0.32789869583432874
Energy: 0.2812024771634786
Energy: 0.2957294898632524
Energy: 0.3279072367516084
Energy: 0.2905654535541049
Energy: 0.29416402504151634
Energy: 0.3278119072358712
Energy: 0.2852360000385993
Energy: 0.32694370168950465
Energy: 0.2925008069832553
Energy: 0.2924991909024187
Energy: 0.3378070607564237
Energy: 0.2934011935657838
Energy: 0.29218763512058565
Energy: 0.35699366314928377
Energy: 0.29534854014183326
Energy: 0.34052962137531295
Energy: 0.35783014790452883
Energy: 0.28481979959309944
Energy: 0.35569588059591273
Energy: 0.4326987671248132
Energy: 0.2894244015814336
Energy: 0.29513143962733
Energy: 0.3147040944753392
Energy: 0.2897456368238216
Energy: 0.2951232376551992
Energy: 0.4321024108886383
Energy: 0.33948823094902386
Energy: 0.3380044674827889
Energy: 0.3396419491993251
Energy: 0.3395576847662254
Energy: 0.3096098627696162
Energy: 0.30145375635349125
Energy: 0.3484516415677722
Energy: 0.3181196871005738
Energy: 0.29387733529421833
Energy: 0.37583560446216546
Energy: 0.30057622150221697
Energy: 0.3664031306027339
Energy: 0.3438694604679021
Energy: 0.33763741821733023
Energy: 0.344210971252257
Energy: 0.34152461559303016
Energy: 0.33813792434245415
Energy: 0.43283786712761013
Energy: 0.31869220664291964
Energy: 0.3197104865414573
Energy: 0.3404697327599922
Energy: 0.3483767195184121
Energy: 0.3744970295709723
Energy: 0.4573781734782753
Energy: 0.30664157374069706
Energy: 0.3449771905405946
Energy: 0.35223010580456093
Energy: 0.30622410878716017
Energy: 0.3449070001890966
Energy: 0.42617769383593795
Energy: 0.34413529580713575
Energy: 0.337859351505902
Energy: 0.3741448524977039
Energy: 0.3750423110536485
Energy: 0.30660226165509874

minimum gb energy = 0.2740857112877925 eV
minimum distance =  2.72289835285302 Angstroms
sigma value = 81


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

Energy: 0.01259459662577145
Energy: 0.6097931602672964
Energy: 0.01282901407931251
Energy: 0.013835688559731624
Energy: 0.014460829382159495
Energy: 0.013053438002193189
Energy: 0.430824642023842
Energy: 0.013093491328176858
Energy: 0.012982119494907674
Energy: 0.03359848827746262
Energy: 0.014377219119459942
Energy: 0.013095632826234709
Energy: 0.032887010985739686
Energy: 0.012836336803055005
Energy: 0.012944310648727796
Energy: 0.032875999501946265
Energy: 0.012886326197459285
Energy: 0.03330378263489633
Energy: 0.014794867668705849
Energy: 0.012868837432532773
Energy: 0.012889876075726793
Energy: 0.012814779847392124
Energy: 0.012948675492562196
Energy: 0.0335268934446804
Energy: 0.03326849745110557
Energy: 0.03295526788939395
Energy: 0.03292916413754693
Energy: 0.033842903200814616
Energy: 0.03285080760064543
Energy: 0.03299158633182635
Energy: 0.013170246154780229
Energy: 0.01295975888743953
Energy: 0.012784662517599393
Energy: 0.014250345557337236
Energy: 0.013321413131626077
Energy: 0.012812136599830642
Energy: 0.033077852307075356
Energy: 0.013127502333325318
Energy: 0.013015879266851762
Energy: 0.032988186913296316
Energy: 0.012948822807942843
Energy: 0.013099873651629165
Energy: 0.03291265086034453
Energy: 0.01283865159435787
Energy: 0.012853030683680518
Energy: 0.032876309186913456
Energy: 0.012786980528176757
Energy: 0.03453542177677825
Energy: 0.013420883143714044
Energy: 0.012963231708726042
Energy: 0.0346874757139953
Energy: 0.014447625437120613
Energy: 0.012915944387134018
Energy: 0.034358593188689425
Energy: 0.013245192954524872
Energy: 0.032861690807905984
Energy: 0.03284515304921185
Energy: 0.013140818769764542
Energy: 0.032819060470203915
Energy: 0.03298826431100649

minimum gb energy = 0.01259459662577145 eV
minimum distance =  2.86667702630798 Angstroms
sigma value = 3


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

Energy: 0.34694874092349764
Energy: 0.35772064701591055
Energy: 0.34624554145808245
Energy: 0.31776671354067954
Energy: 0.3390313542562298
Energy: 0.3192887025928426
Energy: 0.33528687704344273
Energy: 0.34077007033154505
Energy: 0.34547192813188315
Energy: 0.3414597793333722
Energy: 0.3411854848882562
Energy: 0.34575520637514895
Energy: 0.3507929905140941
Energy: 0.326444260620201
Energy: 0.3268255713025977
Energy: 0.34012549712566087
Energy: 0.319223097810738
Energy: 0.3366569014055036
Energy: 0.33238072851680983
Energy: 0.3268286168954633
Energy: 0.3269256093293124
Energy: 0.32939525070367814
Energy: 0.3008400869825402
Energy: 0.3397688138389584
Energy: 0.300651245917961
Energy: 0.34596151407694836
Energy: 0.34528790708269785
Energy: 0.300852334769684
Energy: 0.34073580656064456
Energy: 0.345402929513802
Energy: 0.3302097263499124
Energy: 0.34492892715530243
Energy: 0.33409107372164437
Energy: 0.2758760999367114
Energy: 0.34529522096938137
Energy: 0.3167563984123707
Energy: 0.33251068137198075
Energy: 0.3074180775625139
Energy: 0.3411794675177463
Energy: 0.3323747903412926
Energy: 0.3104021939200623
Energy: 0.3397784857569251
Energy: 0.3293097322285934
Energy: 0.32482639511042766
Energy: 0.32398981776060326
Energy: 0.3293878797424857
Energy: 0.26495139878186413
Energy: 0.3117254491920212
Energy: 0.35147626820069056
Energy: 0.32454210491707675
Energy: 0.33796400799888243
Energy: 0.3418738080523085
Energy: 0.2814308307057993
Energy: 0.3394804396996785
Energy: 0.31691294690783395
Energy: 0.30682279041912197
Energy: 0.3070152490658292
Energy: 0.3166633219437568
Energy: 0.31014311640608977
Energy: 0.317339493743819
Energy: 0.33233709417070123
Energy: 0.3285833836015147
Energy: 0.32972531881028183
Energy: 0.271480290937446
Energy: 0.2751763987517448
Energy: 0.31311289261238684
Energy: 0.2862144632939084
Energy: 0.3329009832230175
Energy: 0.33320739937751237
Energy: 0.2860016460438937
Energy: 0.2838502504146211
Energy: 0.28559107332725325
Energy: 0.28760803099159915
Energy: 0.3059208490826401
Energy: 0.31759007132511385
Energy: 0.2876685210892269
Energy: 0.2618773094091919
Energy: 0.30258299255642773
Energy: 0.33146615180274575
Energy: 0.29952755496571887
Energy: 0.31850804852896025
Energy: 0.2888290379647235
Energy: 0.272571916198523
Energy: 0.3184784022793501
Energy: 0.32864700325282314
Energy: 0.27176232704007325
Energy: 0.27153153290422
Energy: 0.32820786030053767
Energy: 0.2750603764265614
Energy: 0.27161821613272125
Energy: 0.32774853974583507
Energy: 0.31047192739192225
Energy: 0.31026081215607165
Energy: 0.2662770366341208
Energy: 0.3249014400592107
Energy: 0.31042618990267007
Energy: 0.26425326647791286
Energy: 0.31060363606783264
Energy: 0.3094068167273743
Energy: 0.26428387046596075
Energy: 0.27388625786213405
Energy: 0.26387967734422363
Energy: 0.2647807273790774
Energy: 0.30669231404695246
Energy: 0.3070873290272655
Energy: 0.26493382173040464
Energy: 0.26608084462772014
Energy: 0.3074789816346484
Energy: 0.32250188743393166
Energy: 0.2884865300452367
Energy: 0.3061353872242628
Energy: 0.26599620603169993
Energy: 0.26471083001404627
Energy: 0.3064552093904318
Energy: 0.3255125388024982
Energy: 0.2639543636054844
Energy: 0.2638063935600316
Energy: 0.32584213195413825
Energy: 0.26824534600209216
Energy: 0.2639456114883261
Energy: 0.3255041221115051
Energy: 0.30859159577009826
Energy: 0.3103762596875172
Energy: 0.3249282298407682
Energy: 0.30987090956755653
Energy: 0.3098602499679156
Energy: 0.27436089546111103
Energy: 0.3086426444445119
Energy: 0.3091354548639877
Energy: 0.27258709669397174
Energy: 0.30919181490891967
Energy: 0.2716935136251081
Energy: 0.27173815610341284
Energy: 0.2875755530901575
Energy: 0.3060355943740484
Energy: 0.2717413099076855
Energy: 0.2885291302445716
Energy: 0.31708451577949065
Energy: 0.33029593912778604
Energy: 0.2872171708243382
Energy: 0.28666146933458964
Energy: 0.2660739963460241
Energy: 0.2867926870215547
Energy: 0.3102698944581852
Energy: 0.3401384599010713
Energy: 0.2860274118959416
Energy: 0.28578754036151194
Energy: 0.3393632385885034
Energy: 0.2903848366615667
Energy: 0.28611286189427515
Energy: 0.3405830016467112
Energy: 0.3203203527364123
Energy: 0.3205098629920908
Energy: 0.3402432116843516
Energy: 0.30576128512134293
Energy: 0.329845223825744
Energy: 0.30918320444193736
Energy: 0.3197801418642316
Energy: 0.32014283135338606
Energy: 0.3092686265849382
Energy: 0.3430264293030394
Energy: 0.31769677474995683
Energy: 0.2920996069523081
Energy: 0.3539899056786947
Energy: 0.3023646101202886
Energy: 0.292230985044777
Energy: 0.35598518762694964
Energy: 0.34420041194098183
Energy: 0.3340961090435341
Energy: 0.32996063521361385
Energy: 0.3266618924007507
Energy: 0.2741560159244054
Energy: 0.3301944335149288
Energy: 0.31542636127447
Energy: 0.30841298074363727
Energy: 0.3398469539306916
Energy: 0.33850957342999805
Energy: 0.308288994864371
Energy: 0.3306305045702109
Energy: 0.33797341415448307
Energy: 0.33447254236421137
Energy: 0.28706194331289075
Energy: 0.3268993988710421
Energy: 0.33418591765619293
Energy: 0.26629810751878086
Energy: 0.3270263479191029
Energy: 0.3501600035357986
Energy: 0.3281275661703419
Energy: 0.3464151663772601
Energy: 0.33908383749430343
Energy: 0.2878187266347536
Energy: 0.3651788455918109
Energy: 0.30656034632662577
Energy: 0.3293423606112782
Energy: 0.33367147879171116
Energy: 0.30673608838104627
Energy: 0.3330118096751523
Energy: 0.3249673791101808

minimum gb energy = 0.2618773094091919 eV
minimum distance =  2.67666002880296 Angstroms
sigma value = 67


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

Energy: 0.416637604059779
Energy: 0.41496020059952665
Energy: 0.4132985830041722
Energy: 0.34902272938829365
Energy: 0.41064243200619244
Energy: 0.4136306727424842
Energy: 0.39820518041034014
Energy: 0.41440229995097944
Energy: 0.4182403182433865
Energy: 0.41242658773872887
Energy: 0.41438505185642127
Energy: 0.4138133712784399
Energy: 0.4221875221886668
Energy: 0.3797034769968298
Energy: 0.40599562805743267
Energy: 0.4103964640210189
Energy: 0.3592556113962076
Energy: 0.4072656440565177
Energy: 0.39403633249243175
Energy: 0.3957645737703916
Energy: 0.4013699455128152
Energy: 0.39432951708367175
Energy: 0.3969898051390628
Energy: 0.40853453041742616
Energy: 0.38864100060302514
Energy: 0.4171348962574231
Energy: 0.41489623275277393
Energy: 0.38869661511272674
Energy: 0.4113802223365841
Energy: 0.4131913390010662
Energy: 0.3991680750047054
Energy: 0.4109472599739478
Energy: 0.39941123893733016
Energy: 0.3623340509485994
Energy: 0.4106617077233159
Energy: 0.39899048110635493
Energy: 0.39911298282916113
Energy: 0.4031441924688189
Energy: 0.4036974409046149
Energy: 0.39885365269352197
Energy: 0.403640605285431
Energy: 0.4001344222173161
Energy: 0.3942775957744092
Energy: 0.348969653079743
Energy: 0.3933183353173309
Energy: 0.3946933083067867
Energy: 0.34610500849434284
Energy: 0.3966412382173457
Energy: 0.41353591293801206
Energy: 0.41015933959759826
Energy: 0.4101579375559882
Energy: 0.4006212465825896
Energy: 0.36500989922252985
Energy: 0.4120400039698866
Energy: 0.3833259017471148
Energy: 0.3674659056529408
Energy: 0.3652542343589083
Energy: 0.41878464736359927
Energy: 0.36592042739843766
Energy: 0.37746706114221656
Energy: 0.4115607423825274
Energy: 0.39529294561148637
Energy: 0.3952005123395867
Energy: 0.3484927530251995
Energy: 0.4047699040622194
Energy: 0.3957633759320698
Energy: 0.35206195296006537
Energy: 0.36840997380839396
Energy: 0.39310420285618974
Energy: 0.3521061885421526
Energy: 0.3665801708355762
Energy: 0.34798623695382647
Energy: 0.34769460624910953
Energy: 0.3524546698554028
Energy: 0.3881240516234358
Energy: 0.3476882437008744
Energy: 0.3490955622704335
Energy: 0.3479839246204639
Energy: 0.40431419841159555
Energy: 0.3896061703870445
Energy: 0.38850246022102236
Energy: 0.34826219412571896
Energy: 0.379115527742526
Energy: 0.3876984786324683
Energy: 0.404456164686843
Energy: 0.3503848603156929
Energy: 0.34828169052701524
Energy: 0.40451941237260225
Energy: 0.34881491935544556
Energy: 0.34882408054099584
Energy: 0.40420699970008955
Energy: 0.396479841143898
Energy: 0.39458869739254965
Energy: 0.36565713647636044
Energy: 0.38286640998798543
Energy: 0.39304725359477183
Energy: 0.36699450187243365
Energy: 0.34621694751467486
Energy: 0.3870336648869487
Energy: 0.3675842691302983
Energy: 0.34283440311706237
Energy: 0.3654137597227512
Energy: 0.36448066362188314
Energy: 0.411577305512456
Energy: 0.41251481804115436
Energy: 0.3643134501271748
Energy: 0.366382477192527
Energy: 0.365032988107838
Energy: 0.3999273453419146
Energy: 0.4129548157413346
Energy: 0.39817087932733264
Energy: 0.3521984715792583
Energy: 0.41312424881461596
Energy: 0.3978727738718834
Energy: 0.4000930071263278
Energy: 0.40106238626841884
Energy: 0.40194307415760216
Energy: 0.39895736692991113
Energy: 0.3954149905142732
Energy: 0.3952595015262148
Energy: 0.40001306574232903
Energy: 0.38036504767259627
Energy: 0.40764357589418576
Energy: 0.4000997873090214
Energy: 0.3926752796284313
Energy: 0.41626617347255324
Energy: 0.4215050570449276
Energy: 0.3488942558236187
Energy: 0.40686065692499807
Energy: 0.4099808000324379
Energy: 0.35029665667081217
Energy: 0.41458521498857864
Energy: 0.3980897502857209
Energy: 0.39823773340632884
Energy: 0.40262295504799644
Energy: 0.39870960443398173
Energy: 0.3961886960274209
Energy: 0.4004585767311515

minimum gb energy = 0.34283440311706237 eV
minimum distance =  2.66645939619594 Angstroms
sigma value = 33


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

Energy: 0.4851327901453169
Energy: 0.4885570745466481
Energy: 0.48940003668952553
Energy: 0.4222065435765141
Energy: 0.4817836846248902
Energy: 0.46952659193809004
Energy: 0.4587450486497013
Energy: 0.444708265852859
Energy: 0.4447751655408592
Energy: 0.441026277959456
Energy: 0.4447533900188593
Energy: 0.4439745490789624
Energy: 0.48875399781729556
Energy: 0.44093811855943155
Energy: 0.45096276602999275
Energy: 0.47344212495062155
Energy: 0.43955100987858725
Energy: 0.4658214329832919
Energy: 0.4417955484054512
Energy: 0.4415622008918211
Energy: 0.4544110100499825
Energy: 0.44177042048369863
Energy: 0.45174254344961656
Energy: 0.4648512862715047
Energy: 0.44118159914905125
Energy: 0.4466798591292193
Energy: 0.4461777222648605
Energy: 0.441505104748964
Energy: 0.48091408592553864
Energy: 0.4465342950455229
Energy: 0.4635802123552612
Energy: 0.40964609141841046
Energy: 0.47865431880198595
Energy: 0.40893861923538066
Energy: 0.40932710524028537
Energy: 0.4367249787188135
Energy: 0.4411203187408238
Energy: 0.4461153767210483
Energy: 0.4469337770138206
Energy: 0.44129828976119956
Energy: 0.44518420899751215
Energy: 0.4447519100445025
Energy: 0.44209308624816285
Energy: 0.40911308180629835
Energy: 0.40984007450285853
Energy: 0.44197609328253507
Energy: 0.4122597003082966
Energy: 0.44415286110876023
Energy: 0.46266145907860223
Energy: 0.4415196206546946
Energy: 0.44306069678973303
Energy: 0.41406714275735634
Energy: 0.40905945032812796
Energy: 0.45620407365782945
Energy: 0.46372936573146245
Energy: 0.4104119535502145
Energy: 0.4102648829131774
Energy: 0.46385621816259087
Energy: 0.410379954444036
Energy: 0.4095631156593371
Energy: 0.4636937028728665
Energy: 0.41065460747335725
Energy: 0.4455670017207966
Energy: 0.4113550338926675
Energy: 0.43779199658559814
Energy: 0.4098124598182206
Energy: 0.4092238445840143
Energy: 0.40906109097396987
Energy: 0.4097646911370388
Energy: 0.4093065270504654
Energy: 0.41980068116858477
Energy: 0.41016937829432476
Energy: 0.4101361915537815
Energy: 0.44568584325117533
Energy: 0.4278869634656705
Energy: 0.4102432064815102
Energy: 0.41530570364428654
Energy: 0.4097644297852925
Energy: 0.4007795125345066
Energy: 0.444980687526107
Energy: 0.4421982558280414
Energy: 0.40094312961548956
Energy: 0.46426203191017495
Energy: 0.398513790515831
Energy: 0.39863516247904385
Energy: 0.44455478029606954
Energy: 0.44571667967350354
Energy: 0.40194985651044896
Energy: 0.44236893209306305
Energy: 0.44532897375228203
Energy: 0.44179787388982805
Energy: 0.4476625825439736
Energy: 0.4653899671697815
Energy: 0.44291839768321467
Energy: 0.4160083671566618
Energy: 0.44696831547270915
Energy: 0.48880515823746085
Energy: 0.41578578092166274
Energy: 0.4157521081703107
Energy: 0.4734765732700935
Energy: 0.41841970352995794
Energy: 0.46628272449981534
Energy: 0.49267983521528014
Energy: 0.4425558350643473
Energy: 0.44493554855137246
Energy: 0.4401029019300342
Energy: 0.44173316824210423
Energy: 0.4748066773013856
Energy: 0.4587000793350752
Energy: 0.4745627262548045
Energy: 0.47218958510918824
Energy: 0.4117039690645734
Energy: 0.47458653853193233
Energy: 0.4588442562636296
Energy: 0.4585075106333613
Energy: 0.4442703408107845
Energy: 0.44673370618908015
Energy: 0.4591394582536003
Energy: 0.4445592206216056
Energy: 0.41041595311845797
Energy: 0.49201175710659006
Energy: 0.4628625135761863
Energy: 0.4645859964455108
Energy: 0.4741232680452496
Energy: 0.447992894066819
Energy: 0.47948446625398483
Energy: 0.47716558756628286
Energy: 0.4407584838426875
Energy: 0.45100349991512073
Energy: 0.47783639573105874
Energy: 0.4390499010041497
Energy: 0.4645575775514546
Energy: 0.4415726134361517
Energy: 0.4104931509067105
Energy: 0.443274640126977
Energy: 0.4419093806254615
Energy: 0.44483880578860546
Energy: 0.44391050135715654
Energy: 0.46331870730910085
Energy: 0.4100550062256007
Energy: 0.476222751909119
Energy: 0.4062474432203232
Energy: 0.4101257701543422
Energy: 0.4387556717135911
Energy: 0.44098887571850737
Energy: 0.44599767237719085
Energy: 0.4464692890340602
Energy: 0.4411515060020497
Energy: 0.4459573703904199
Energy: 0.44458321319175176
Energy: 0.4415898625269703
Energy: 0.4089263712199584
Energy: 0.4099289910222884
Energy: 0.4415795682614934
Energy: 0.4116394841522008
Energy: 0.444181039194568
Energy: 0.4622135806525369
Energy: 0.4093978145277215
Energy: 0.4429050481266737
Energy: 0.4146955562650463
Energy: 0.4179840671924094
Energy: 0.4567518559857644
Energy: 0.46304576873002046
Energy: 0.41036579379619376
Energy: 0.41029232900619744
Energy: 0.46465093710846633
Energy: 0.4106730489709624
Energy: 0.4096461909527087
Energy: 0.46301866244395834
Energy: 0.4384862713174501
Energy: 0.4108895784280962
Energy: 0.4122591660088377
Energy: 0.4375852985084611
Energy: 0.4097350668777012
Energy: 0.40951490088295184
Energy: 0.40934922388190015
Energy: 0.40936941900059565
Energy: 0.40946869381607676
Energy: 0.41612119805547
Energy: 0.40985976041212824
Energy: 0.4116840280579223
Energy: 0.44550817154691713
Energy: 0.40999397279048927
Energy: 0.41015194868941496
Energy: 0.41404806679764244
Energy: 0.40978164781828486
Energy: 0.40017341182769045
Energy: 0.4451846251102169
Energy: 0.44746789532599834
Energy: 0.400612996582519
Energy: 0.46528542081963
Energy: 0.3986636955164219
Energy: 0.3986522573852786
Energy: 0.4450537218326431
Energy: 0.4457468102923014
Energy: 0.4650901326115531
Energy: 0.4428606887011051
Energy: 0.43010929270129034
Energy: 0.4423810991983412
Energy: 0.4520011812429005
Energy: 0.4439123964317528
Energy: 0.44398208120911564
Energy: 0.41642285645009597
Energy: 0.4466774377657977
Energy: 0.48930057430159307
Energy: 0.41558135000616797
Energy: 0.4158554599376951
Energy: 0.4751326334696537
Energy: 0.39893673324044837
Energy: 0.4666093169565008
Energy: 0.49220283624204225
Energy: 0.4446134328122184
Energy: 0.47564637303909185
Energy: 0.4436886765117828
Energy: 0.4431179117990097
Energy: 0.4436394063234632
Energy: 0.4615221178234217
Energy: 0.47492167058798546
Energy: 0.4741878177785345
Energy: 0.41455847679708774
Energy: 0.4752493105761187
Energy: 0.45849940515129406

minimum gb energy = 0.398513790515831 eV
minimum distance =  2.69865465660258 Angstroms
sigma value = 41


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

Energy: 0.672540811764453
Energy: 0.5779134464500875
Energy: 0.48666909345054765
Energy: 0.48761850704721205
Energy: 0.5285743705302676
Energy: 0.48586069840457363
Energy: 0.5203230517647973
Energy: 0.5113986154723166
Energy: 0.4974529223728132
Energy: 0.5088335439967937
Energy: 0.5102318219782155
Energy: 0.49776998752911844
Energy: 0.5706859444769632
Energy: 0.48631419257566716
Energy: 0.4851371998814939
Energy: 0.5095541250013101
Energy: 0.48753324733497355
Energy: 0.48468076287697814
Energy: 0.5122600962172188
Energy: 0.4864561774694985
Energy: 0.48524431676083246
Energy: 0.51212496401431
Energy: 0.48748399681522886
Energy: 0.48811488367247263
Energy: 0.5010025440117242
Energy: 0.49636805631189657
Energy: 0.4871374026335231
Energy: 0.5011740687309639
Energy: 0.5112430045346417
Energy: 0.48686485799566476
Energy: 0.5122568917714975
Energy: 0.49673174089924144
Energy: 0.48666830814822953
Energy: 0.4885378156320719
Energy: 0.5162504267446438
Energy: 0.48658399198028374
Energy: 0.5002231693562602
Energy: 0.49733142893657306
Energy: 0.4870119152757601
Energy: 0.5002806933666215
Energy: 0.48796545010163006
Energy: 0.4884971056346697
Energy: 0.503267049956329
Energy: 0.48815947769288015
Energy: 0.48664445968385883
Energy: 0.5039877991245312
Energy: 0.4892386099344277
Energy: 0.4883717879948113
Energy: 0.5344146690908097
Energy: 0.4879450523662624
Energy: 0.4865861818518325
Energy: 0.477380785335569
Energy: 0.4971025464110155
Energy: 0.48690626984120405
Energy: 0.5147271941196901
Energy: 0.5043694404529222
Energy: 0.4882627272557085
Energy: 0.4889313398980424
Energy: 0.5014955304531645
Energy: 0.4860146663231267
Energy: 0.5089479633498063
Energy: 0.49672780327395694
Energy: 0.48874143402911835
Energy: 0.4874004430050086
Energy: 0.4766559012361768
Energy: 0.4887918566265833
Energy: 0.5850840287256821
Energy: 0.4764544396012981
Energy: 0.47678933229882176
Energy: 0.5857247091709866
Energy: 0.47688446580729305
Energy: 0.4775167840343034
Energy: 0.5756416558145638
Energy: 0.48945360634278345
Energy: 0.49549957303121656
Energy: 0.5094545862674055
Energy: 0.502698632979649
Energy: 0.4972253674792371
Energy: 0.5473128612066498
Energy: 0.50165969600422
Energy: 0.47707546707611176
Energy: 0.4783504074534646
Energy: 0.5103893526729324
Energy: 0.47709871364793005

minimum gb energy = 0.4764544396012981 eV
minimum distance =  2.68172478717247 Angstroms
sigma value = 11


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

Energy: 0.5877751752555459
Energy: 0.6650844688502188
Energy: 0.6383893211386996
Energy: 0.587074673791587
Energy: 0.6289249011390864
Energy: 0.5749896730739957
Energy: 0.6318703896970828
Energy: 0.566692493679584
Energy: 0.5774130199311861
Energy: 0.5820959944748338
Energy: 0.5666937033004628
Energy: 0.5754961189437995
Energy: 0.6287326767012529
Energy: 0.5728969682076825
Energy: 0.5703443918143087
Energy: 0.5736900134932709
Energy: 0.5675720580767857
Energy: 0.572299451639796
Energy: 0.5821783149207787
Energy: 0.5714066381683067
Energy: 0.5725959540258281
Energy: 0.5664075176251138
Energy: 0.5689977037647131
Energy: 0.5739540580660258
Energy: 0.5851620736841755
Energy: 0.5672059117808027
Energy: 0.5762834276773569
Energy: 0.5811353313952281
Energy: 0.5666784794055915
Energy: 0.5758672933128494
Energy: 0.5808808787341986
Energy: 0.5671619803552814
Energy: 0.5732660242538005
Energy: 0.575171152799762
Energy: 0.5755196178385694
Energy: 0.5716960315172763
Energy: 0.5803716922132998
Energy: 0.5717667811019079
Energy: 0.5725755059820834
Energy: 0.5805329142590703
Energy: 0.5714990618134225
Energy: 0.5738334854057536
Energy: 0.577881521547886
Energy: 0.5769775779545826
Energy: 0.5770120027968182
Energy: 0.566650460807992
Energy: 0.5740949565461527
Energy: 0.5764489520008433
Energy: 0.5630468658773842
Energy: 0.5752545059822242
Energy: 0.5739986779024413
Energy: 0.5679287100976904
Energy: 0.5754574869694
Energy: 0.5744548530638719
Energy: 0.5740537368281429
Energy: 0.5750230991171971
Energy: 0.5725489006023935
Energy: 0.5733018665459899
Energy: 0.5757347844231891
Energy: 0.5743927374367644
Energy: 0.5781934596037994
Energy: 0.5762067927987707
Energy: 0.5758170788570999
Energy: 0.5666423392351634
Energy: 0.5836273803100458
Energy: 0.5765057230912818
Energy: 0.5685258514544413
Energy: 0.5753360372735778
Energy: 0.5767420729220099
Energy: 0.568747468207326
Energy: 0.5679551994467821
Energy: 0.5730290131554489
Energy: 0.5662435819585036
Energy: 0.5724708558407942
Energy: 0.5718432224948241
Energy: 0.5661311049039056
Energy: 0.5738085475533582
Energy: 0.5730662667456917
Energy: 0.569080583949453
Energy: 0.5753058011557444
Energy: 0.5742205744792113
Energy: 0.5729896157152888
Energy: 0.5906937634191906
Energy: 0.5744810581345733
Energy: 0.5664662564102212
Energy: 0.5730229460538987
Energy: 0.5717870379034631
Energy: 0.5666445744562609
Energy: 0.5741693183768534
Energy: 0.57168449515324
Energy: 0.562393181003634
Energy: 0.5733174882848869
Energy: 0.5719885916921369
Energy: 0.5631673844797574
Energy: 0.5753303129486645
Energy: 0.5729680656372693
Energy: 0.5623544543991066
Energy: 0.5733795503394093
Energy: 0.5733914569904295
Energy: 0.5625070539799919
Energy: 0.5711224773849298
Energy: 0.5671426856036388
Energy: 0.5951382716900301
Energy: 0.5935068885524489
Energy: 0.593410941255975
Energy: 0.5814003426038987
Energy: 0.5989631787268569
Energy: 0.5708442632448872
Energy: 0.5723146584300317
Energy: 0.5695995788010262
Energy: 0.572581392630776
Energy: 0.5724053023097421
Energy: 0.5689560968386832
Energy: 0.5722788964414769
Energy: 0.5817330630196554
Energy: 0.5749482861408373
Energy: 0.572699941384188
Energy: 0.5723493028134232
Energy: 0.5632171856170639
Energy: 0.56852242889211
Energy: 0.6124767347294909
Energy: 0.5750975073930787
Energy: 0.5682513055025437
Energy: 0.5704838178090188
Energy: 0.5727510280525189
Energy: 0.5739313119269105
Energy: 0.5862195213076876
Energy: 0.5728890917286993
Energy: 0.5753262521593535
Energy: 0.5708269852632557
Energy: 0.5705345861834263
Energy: 0.571769215738217
Energy: 0.5721141483191453
Energy: 0.5740016209242058
Energy: 0.5730729888662285
Energy: 0.5667576741508144
Energy: 0.5729461625226793
Energy: 0.5745606603327735
Energy: 0.6123270769124909
Energy: 0.5670108167493091
Energy: 0.5672737863808964
Energy: 0.5684915823778407
Energy: 0.5692143026439583
Energy: 0.5723310572138853
Energy: 0.6148344278838438
Energy: 0.5739026066962285
Energy: 0.5755460069473933
Energy: 0.5993535980849137
Energy: 0.5752280928450539
Energy: 0.5678215630510435
Energy: 0.6084951573949916
Energy: 0.5687475724545454
Energy: 0.5727493714468903
Energy: 0.5814988597690877
Energy: 0.5673516840684488
Energy: 0.5722681717081077
Energy: 0.6064478458468585
Energy: 0.562263417930776
Energy: 0.5755812773949476
Energy: 0.5759619792492812
Energy: 0.5637246358014883
Energy: 0.571876198370746
Energy: 0.605941937598241
Energy: 0.574815460721214
Energy: 0.572363803255099
Energy: 0.5739770051312522
Energy: 0.5691076955465565
Energy: 0.5717755694258981
Energy: 0.6102121342583685
Energy: 0.5658225429919272
Energy: 0.5717541434603314
Energy: 0.5735996711464849
Energy: 0.5726222032313997
Energy: 0.5702752313190113
Energy: 0.6621490347264561
Energy: 0.5696619814152246
Energy: 0.5831433516793549
Energy: 0.5734962876667472
Energy: 0.5662627718851605
Energy: 0.5720459370761795
Energy: 0.5821908003221318
Energy: 0.569666328815738
Energy: 0.5768898615611423
Energy: 0.5631582314456922
Energy: 0.5688257853097136
Energy: 0.5734862864650113

minimum gb energy = 0.562263417930776 eV
minimum distance =  2.67275210599745 Angstroms
sigma value = 57


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

Energy: 0.7832055681612133
Energy: 0.5797226720926631
Energy: 0.5595464394375211
Energy: 0.5791824841085812
Energy: 0.5830467496548989
Energy: 0.5827628297951759
Energy: 0.5592267821858125
Energy: 0.5764473334461431
Energy: 0.5724831850980737
Energy: 0.5760601030113084
Energy: 0.5763218570820124
Energy: 0.572056977631082
Energy: 0.5717515218552791
Energy: 0.5832072719549984
Energy: 0.5821979541446117
Energy: 0.6212209166019553
Energy: 0.5704175359412063
Energy: 0.5763596729506264
Energy: 0.5720594020359963
Energy: 0.5761813965010718
Energy: 0.5722801854830655
Energy: 0.5728048539298578
Energy: 0.5706534573896016
Energy: 0.5757837544964627
Energy: 0.5719265292517977
Energy: 0.5753291641019048
Energy: 0.5756416319334932
Energy: 0.5736901696775297
Energy: 0.5745936477892613
Energy: 0.5717632846153479
Energy: 0.5723566790874846
Energy: 0.5762473055555825
Energy: 0.5762566385813616
Energy: 0.5739507743738107
Energy: 0.5734876725422374
Energy: 0.5725095717487095
Energy: 0.5718009303345605
Energy: 0.5840495913158379
Energy: 0.5856731990595483
Energy: 0.5733083684762638
Energy: 0.5821649922205144
Energy: 0.5928400513671348
Energy: 0.6273487874915762
Energy: 0.576030707352996
Energy: 0.5756141519993043
Energy: 0.5757925705943272
Energy: 0.5751275024631666
Energy: 0.5717804901215926
Energy: 0.5592034807785093
Energy: 0.5754243168383376
Energy: 0.5835762572402355
Energy: 0.5623353615760889
Energy: 0.5737875317338753
Energy: 0.5599660567876156
Energy: 0.5587050706727968
Energy: 0.5753383111442583
Energy: 0.5833441379668574
Energy: 0.5620782172847784
Energy: 0.5740169276532151
Energy: 0.5601319201441489
Energy: 0.6269705930772551
Energy: 0.5765175252048709
Energy: 0.5774514184950992
Energy: 0.575887888562722
Energy: 0.5750840478065067
Energy: 0.5714406947680644
Energy: 0.5728241935988346
Energy: 0.5852174483092194
Energy: 0.5846144574690223
Energy: 0.5732449047761217
Energy: 0.5705468577635091
Energy: 0.576429831949235
Energy: 0.5710334638186464
Energy: 0.5763128444441434
Energy: 0.5717582078225563
Energy: 0.572243888313437
Energy: 0.5767202453370037
Energy: 0.5718740754730891
Energy: 0.5725093214137131
Energy: 0.5751246103048399
Energy: 0.5769944694369984
Energy: 0.5759767466404624
Energy: 0.5754478540103007
Energy: 0.5764803244104295
Energy: 0.5837332304537963
Energy: 0.5815510961582913
Energy: 0.5720765569627458
Energy: 0.5747415708605548
Energy: 0.5782630650363765
Energy: 0.5720039035629768
Energy: 0.6195400274498608
Energy: 0.5821250444259655
Energy: 0.5810330133012932
Energy: 0.573562770458999
Energy: 0.5791861358463186
Energy: 0.5724919748556495
Energy: 0.5592862734649184
Energy: 0.5767282878104096
Energy: 0.572714837583979
Energy: 0.5594219319278629
Energy: 0.5749954517770477
Energy: 0.5729355738203162

minimum gb energy = 0.5587050706727968 eV
minimum distance =  2.67409194475717 Angstroms
sigma value = 9


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

Energy: 0.6695258759774321
Energy: 0.6468614482361671
Energy: 0.6083782849141142
Energy: 0.6163227684104599
Energy: 0.6244420068940986
Energy: 0.6075353348301696
Energy: 0.6652847098200407
Energy: 0.6094978806129685
Energy: 0.6075244478624048
Energy: 0.6104827347875535
Energy: 0.6197689934483022
Energy: 0.6095849258826306
Energy: 0.6149391714258977
Energy: 0.6133109777532747
Energy: 0.6119380647663493
Energy: 0.6028664134428808
Energy: 0.6151092854329206
Energy: 0.6092666021601186
Energy: 0.6064983847300872
Energy: 0.6126056162525525
Energy: 0.6098557952261063
Energy: 0.6084085894299455
Energy: 0.606963332052166
Energy: 0.6107830608732584
Energy: 0.6011282650220472
Energy: 0.5951100516731367
Energy: 0.5938368272679951
Energy: 0.5984420549281179
Energy: 0.5942038743675582
Energy: 0.5921058045863563
Energy: 0.6020307979886899
Energy: 0.6046990108381619
Energy: 0.6033701886732686
Energy: 0.6031861520692936
Energy: 0.6073192904514112
Energy: 0.6032858082867062
Energy: 0.6044054614565574
Energy: 0.602645355279477
Energy: 0.6107740748368876
Energy: 0.594139828717049
Energy: 0.6059722249454613
Energy: 0.6160683500596504
Energy: 0.6247353932607612
Energy: 0.6027206589619686
Energy: 0.6049219467654975
Energy: 0.6079453742736682
Energy: 0.602177327839942
Energy: 0.6050234600268755
Energy: 0.6335693688525474
Energy: 0.5963136269529017
Energy: 0.5923366255851081
Energy: 0.6097114466809505
Energy: 0.6041563541795618
Energy: 0.6092519215508319
Energy: 0.621468775929838
Energy: 0.5935998463671928
Energy: 0.5925143699020838
Energy: 0.6108912364309516
Energy: 0.6027185606213392
Energy: 0.6016883804302088
Energy: 0.6249020439647915
Energy: 0.6073071898056256
Energy: 0.6006760856511152
Energy: 0.603950994283268
Energy: 0.6026000566373139
Energy: 0.5999866298660864
Energy: 0.6256503029759111
Energy: 0.6056944867179626
Energy: 0.6110058504768966
Energy: 0.6186013515532249
Energy: 0.6062869301560133
Energy: 0.6094368851115843
Energy: 0.6158671218844107
Energy: 0.606980187309458
Energy: 0.6077979078972762
Energy: 0.6103093709226688
Energy: 0.6032376740721005
Energy: 0.6020083999513645
Energy: 0.6287435116385441
Energy: 0.6104461098056044
Energy: 0.610919452959275
Energy: 0.6064660362083144
Energy: 0.6094610658453812
Energy: 0.6102322251844381
Energy: 0.6272392069783115
Energy: 0.6012768001396365
Energy: 0.6053513825086971
Energy: 0.6175925204474214
Energy: 0.6019555199825417
Energy: 0.5930046207203088
Energy: 0.6156470030170195
Energy: 0.6105028160062397
Energy: 0.5940436189790402
Energy: 0.6158734550170527
Energy: 0.6160470409138893
Energy: 0.5990426380823538
Energy: 0.6089257194809151
Energy: 0.6108661712013027
Energy: 0.6109389127300177
Energy: 0.6120791011482098
Energy: 0.614438569727619
Energy: 0.611045809834738
Energy: 0.6831009347949265
Energy: 0.5949219513288159
Energy: 0.5939193594874443
Energy: 0.611684699024036
Energy: 0.6177838697278767
Energy: 0.5932864385543282
Energy: 0.6167396973107837
Energy: 0.613622587805325
Energy: 0.611209189685907
Energy: 0.617165185460365
Energy: 0.6206220081584272
Energy: 0.6088431185957384
Energy: 0.6167089812986345
Energy: 0.6130052309820231
Energy: 0.6112840812657568
Energy: 0.5933471903122044
Energy: 0.6156089069584809
Energy: 0.6088776695602585
Energy: 0.619478345194257
Energy: 0.6202812598743533
Energy: 0.5932549397438979
Energy: 0.6016601150703804
Energy: 0.6180035813785778
Energy: 0.6113102302378414

minimum gb energy = 0.5921058045863563 eV
minimum distance =  2.64183356851936 Angstroms
sigma value = 27


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

Energy: 0.8076302573870516
Energy: 0.6158186144128186
Energy: 0.6110131094469387
Energy: 0.5870255321047917
Energy: 0.6573421333483627
Energy: 0.5920027707862111
Energy: 0.6125710731337171
Energy: 0.5933675679704109
Energy: 0.6060683037287533
Energy: 0.6112344578846496
Energy: 0.5989939916263815
Energy: 0.5842933587425777
Energy: 0.6026199447659847
Energy: 0.5658527546357404
Energy: 0.5659318407535862
Energy: 0.5944860803867215
Energy: 0.6037077161025869
Energy: 0.5884950521629865
Energy: 0.6254835269641869
Energy: 0.5657446017015331
Energy: 0.5650077796072468
Energy: 0.5872569088556872
Energy: 0.6052250197124942
Energy: 0.5833105633609817
Energy: 0.6054403449780287
Energy: 0.5845216252484585
Energy: 0.5846359455816491
Energy: 0.6060822120912398
Energy: 0.6371033176829006
Energy: 0.5846942142204036
Energy: 0.6289741362554976
Energy: 0.5839510595673035
Energy: 0.5843603455132704
Energy: 0.6102510614840755
Energy: 0.6070136958177323
Energy: 0.5845162779784538
Energy: 0.5982532590729254
Energy: 0.5825336592412497
Energy: 0.5824355340944489
Energy: 0.5850038612312743
Energy: 0.588656896018136
Energy: 0.5832258472425615
Energy: 0.6318836331012763
Energy: 0.5966285550216549
Energy: 0.6212777739783163
Energy: 0.5880648971254766
Energy: 0.6019736296935072
Energy: 0.6209340896156272
Energy: 0.6912487493386763
Energy: 0.567485398237539
Energy: 0.5670356270759878
Energy: 0.5884249361379764
Energy: 0.606186769387385
Energy: 0.5836991321243304
Energy: 0.615898760589137
Energy: 0.5695860644017273
Energy: 0.5663727905907259
Energy: 0.5880264759997654
Energy: 0.5711905335499347
Energy: 0.5659151997217678
Energy: 0.6347563202507639
Energy: 0.5928563474110697
Energy: 0.5871931425791588
Energy: 0.6164419335627467
Energy: 0.6019846837404202
Energy: 0.586435047422969
Energy: 0.5708847460231417
Energy: 0.5650022861851403
Energy: 0.5683163842163336
Energy: 0.5712550731009994
Energy: 0.5647543719998769
Energy: 0.5671826883471148
Energy: 0.579092365163096
Energy: 0.5600307089206212
Energy: 0.5680320510360951
Energy: 0.5804027582620376
Energy: 0.568185366236438
Energy: 0.5691544675476496
Energy: 0.5795310436656171
Energy: 0.5646755659973783
Energy: 0.5645946992009869
Energy: 0.5798939291655867
Energy: 0.5645786797781812
Energy: 0.5648390012534446
Energy: 0.5706556723276293
Energy: 0.5680546532160423
Energy: 0.5657726493870706
Energy: 0.5711452299946178
Energy: 0.5657752175437499
Energy: 0.5653240142672615
Energy: 0.6106152057006491
Energy: 0.5655502839519783
Energy: 0.5644426866059573
Energy: 0.5922982331481521
Energy: 0.5665282656935622
Energy: 0.5648488925761136
Energy: 0.6050469838690457
Energy: 0.5806051795797014
Energy: 0.5809190824805699
Energy: 0.6110756086611765
Energy: 0.5831452349162803
Energy: 0.5812110117513011
Energy: 0.6327744944496244
Energy: 0.6034977714782854
Energy: 0.5841590353305095
Energy: 0.5938759191798402
Energy: 0.6060582011533197
Energy: 0.5844809167533285
Energy: 0.6253817012588841
Energy: 0.5931005215263149
Energy: 0.5917689766036365
Energy: 0.6260709772868744
Energy: 0.588383989360268
Energy: 0.5910256119740648
Energy: 0.6010780603288058
Energy: 0.593177720785397
Energy: 0.5917864003534051
Energy: 0.5964838591825674
Energy: 0.6012203908386657
Energy: 0.5909138211200765
Energy: 0.6826135922738958
Energy: 0.5671622236638143
Energy: 0.5836061612508592
Energy: 0.586384740586259
Energy: 0.6061182799453356
Energy: 0.5841927081509277
Energy: 0.603293337851747
Energy: 0.6261160748226455
Energy: 0.615178443162445
Energy: 0.604702751837016
Energy: 0.628514053163985
Energy: 0.6049013798191977
Energy: 0.6201417401002556
Energy: 0.565151886678325
Energy: 0.5845673776946381
Energy: 0.6217387464629938
Energy: 0.5901921003872712
Energy: 0.5846494662668921
Energy: 0.599654736528865
Energy: 0.6048002361749432
Energy: 0.564988119615908
Energy: 0.5907614059656466
Energy: 0.6065364279309677
Energy: 0.5830378252083449
Energy: 0.6356640190306453
Energy: 0.6323698483766623
Energy: 0.6276287972917625
Energy: 0.6017307473555595
Energy: 0.644414925975077
Energy: 0.5966918911600807

minimum gb energy = 0.5600307089206212 eV
minimum distance =  2.64260949798432 Angstroms
sigma value = 19


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

Energy: 0.6110900401130029
Energy: 0.6070985963006006
Energy: 0.5942057208571982
Energy: 0.5858656922603701
Energy: 0.6010375092642016
Energy: 0.5941312686163355
Energy: 0.5962696985242909
Energy: 0.5840678871660255
Energy: 0.5826668852115856
Energy: 0.5823331410995549
Energy: 0.5821411003123516
Energy: 0.5830915719840964
Energy: 0.5966235916697193
Energy: 0.5824511085127948
Energy: 0.5785689882808633
Energy: 0.590215141661949
Energy: 0.579685426619139
Energy: 0.57872055117434
Energy: 0.5949937969371287
Energy: 0.5827158046679183
Energy: 0.58414873557349
Energy: 0.5813577820140515
Energy: 0.5827040116143001
Energy: 0.5843523248840168
Energy: 0.5974848944502191
Energy: 0.5841045380191199
Energy: 0.5817966710948134
Energy: 0.5971062526794254
Energy: 0.5789750056628572
Energy: 0.58020261128765
Energy: 0.5976750665791349
Energy: 0.5841351545866097
Energy: 0.5839014006873313
Energy: 0.5933525922575874
Energy: 0.5929575662862381
Energy: 0.584315473283703
Energy: 0.603106724383266
Energy: 0.5793239116126578
Energy: 0.5781537377431085
Energy: 0.5855102328004469
Energy: 0.5820845131095181
Energy: 0.576465920454456
Energy: 0.5929044050289893
Energy: 0.5803419458419927
Energy: 0.5825999831070543
Energy: 0.592031118142787
Energy: 0.5799677177102779
Energy: 0.58346696858152
Energy: 0.5874248820430107
Energy: 0.5790935064960212
Energy: 0.5824672467991729
Energy: 0.5858678179139019
Energy: 0.579501602245524
Energy: 0.582314049594043
Energy: 0.5922933201500203
Energy: 0.5809924678090108
Energy: 0.5798310577701188
Energy: 0.5859135420788534
Energy: 0.5826158533700242
Energy: 0.5800552761225695
Energy: 0.5971255124989318
Energy: 0.5726509541073787
Energy: 0.5725044060679203
Energy: 0.5963430611611418
Energy: 0.5737571796373369
Energy: 0.5721344557505236
Energy: 0.5947989919459362
Energy: 0.5801618546196539
Energy: 0.5814001592303809
Energy: 0.5745588638399376
Energy: 0.5776001078683413
Energy: 0.5729828129527419
Energy: 0.6034797551439033
Energy: 0.5723095539572851
Energy: 0.576063324586595
Energy: 0.5830972617685622
Energy: 0.5739348164935971
Energy: 0.5774494691872146
Energy: 0.6113414480816458
Energy: 0.5852269388889053
Energy: 0.5849121451089484
Energy: 0.5721158580799186
Energy: 0.5867415021685383
Energy: 0.5816822124625786
Energy: 0.5946343180697488
Energy: 0.5724829224686256
Energy: 0.5751163480131725
Energy: 0.5695401550208633
Energy: 0.5749499540295571
Energy: 0.574254965288227
Energy: 0.6073334824264703
Energy: 0.5749692716017434
Energy: 0.5747661616903369
Energy: 0.5731799014113753
Energy: 0.5742169254287467
Energy: 0.5746928475525626
Energy: 0.5913906146985295
Energy: 0.5793537042354616
Energy: 0.5832745456138246
Energy: 0.5744297371468906
Energy: 0.583266425969741
Energy: 0.5829356235273305
Energy: 0.6047488868456729
Energy: 0.5719516011147822
Energy: 0.5721678678307691
Energy: 0.5707926112625431
Energy: 0.5714864652793793
Energy: 0.5735079423487858
Energy: 0.6004492476225535
Energy: 0.5730738030669681
Energy: 0.5736499828445827
Energy: 0.5890322807221268
Energy: 0.5859343051168242
Energy: 0.5825887951344816
Energy: 0.5849279870471428
Energy: 0.570899016695018
Energy: 0.5723352057727671
Energy: 0.5716600471682822
Energy: 0.5738423352367306
Energy: 0.5822225252166406
Energy: 0.5720062731065033
Energy: 0.5719838289878928
Energy: 0.5726078909175354
Energy: 0.5750433583354307
Energy: 0.5717042974577449
Energy: 0.5721065115241027
Energy: 0.5714697378682058
Energy: 0.5732624907578312
Energy: 0.573067359418131
Energy: 0.5739781473867148
Energy: 0.5733664332103743
Energy: 0.5730427481038504
Energy: 0.5866490508480077
Energy: 0.5878650679793678
Energy: 0.5876309607512868
Energy: 0.5853897700802224
Energy: 0.5864996027347037
Energy: 0.5713871405068428
Energy: 0.6020188301650757
Energy: 0.5713117591829755
Energy: 0.572602136083433
Energy: 0.5918456268426602
Energy: 0.5687924167643721
Energy: 0.5732747413176301
Energy: 0.6030154263219983
Energy: 0.5740267268706475
Energy: 0.5742198274412961
Energy: 0.5769596468280646
Energy: 0.5688769863259419
Energy: 0.5738886913700926
Energy: 0.5950677897984756
Energy: 0.5778671157298461
Energy: 0.5783510037542646
Energy: 0.5850625488135466
Energy: 0.5814983278445275
Energy: 0.5830254211781635
Energy: 0.5968404334318351
Energy: 0.5825543947649658
Energy: 0.5808761515846742
Energy: 0.5864191047579287
Energy: 0.5854104004007411
Energy: 0.5804694930143536
Energy: 0.5969130525805436
Energy: 0.5803280652834409
Energy: 0.5829476121294216
Energy: 0.5778174302872738
Energy: 0.5847743865036554
Energy: 0.5828225917454956
Energy: 0.6017696805237015
Energy: 0.6031938590903528
Energy: 0.6043629147251933
Energy: 0.5681703112678248
Energy: 0.6015333059965156
Energy: 0.577465545086002

minimum gb energy = 0.5681703112678248 eV
minimum distance =  2.64706750071726 Angstroms
sigma value = 101


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

Energy: 0.8759144528648164
Energy: 0.5701494909141622
Energy: 0.5582235078069833
Energy: 0.5498983331595775
Energy: 0.5542303532657558
Energy: 0.5473921242101693
Energy: 0.6077028925262332
Energy: 0.5544487351222591
Energy: 0.5566925698597719
Energy: 0.5533643460039066
Energy: 0.5544850033465752
Energy: 0.5566912980137335
Energy: 0.5814400076638884
Energy: 0.5534859533564541
Energy: 0.5535512739730006
Energy: 0.5746502072042005
Energy: 0.5534788803074114
Energy: 0.5588419957595618
Energy: 0.574604667951107
Energy: 0.5563769077358487
Energy: 0.5578277144508198
Energy: 0.5570113479606125
Energy: 0.5562090808740753
Energy: 0.5575131209267898
Energy: 0.565540542813915
Energy: 0.5572617970290663
Energy: 0.558220147489223
Energy: 0.5648168173876713
Energy: 0.576985250604896
Energy: 0.5636142811798539
Energy: 0.5677365155186955
Energy: 0.5560294298834744
Energy: 0.5563831544505972
Energy: 0.5677940634232918
Energy: 0.5563292651425704
Energy: 0.5566129228338836
Energy: 0.5738768185341547
Energy: 0.5512369198640893
Energy: 0.5519733489514121
Energy: 0.568337554648167
Energy: 0.55146912542395
Energy: 0.5570005645836001
Energy: 0.5703390053439135
Energy: 0.55423827202417
Energy: 0.5565844571305602
Energy: 0.5662080638612372
Energy: 0.5597460556921681
Energy: 0.5559819060610588
Energy: 0.5530586865155965
Energy: 0.5592252849050277
Energy: 0.5549009062599428
Energy: 0.5510988538331009
Energy: 0.5552642030611885
Energy: 0.5531771763024468
Energy: 0.5593570747391758
Energy: 0.5611672268096397
Energy: 0.5597411789812061
Energy: 0.5549472722858872
Energy: 0.5631152430970764
Energy: 0.5593643689190344
Energy: 0.5810371235457336
Energy: 0.5458411298574726
Energy: 0.5563817825937744
Energy: 0.5730197086794667
Energy: 0.5452480423600274
Energy: 0.5542711624578809
Energy: 0.5816581790374065
Energy: 0.5599324274806086
Energy: 0.5586786196384977
Energy: 0.5585241591849002
Energy: 0.5538827834644916
Energy: 0.5589101331883444
Energy: 0.5661678617422526
Energy: 0.5547343145751926
Energy: 0.5558088312629297
Energy: 0.5487590132905322
Energy: 0.5554340816411156
Energy: 0.5539950807238202
Energy: 0.5683300249129517
Energy: 0.5611150204165869
Energy: 0.5594853927719131
Energy: 0.5498332933832524
Energy: 0.5620291249038005
Energy: 0.5578076719415712
Energy: 0.5822078236361454
Energy: 0.5550505642247178
Energy: 0.5551623783732235
Energy: 0.5593043132255471
Energy: 0.5531600882573653
Energy: 0.5565876546474082
Energy: 0.5810921897492988
Energy: 0.5539007311185371
Energy: 0.5572347695121249
Energy: 0.5584117285138566
Energy: 0.5516233599938327
Energy: 0.5571270792279913
Energy: 0.5641548809441388
Energy: 0.5742119597209975
Energy: 0.5593545097930697
Energy: 0.536701993558102
Energy: 0.553774295274334
Energy: 0.5454847212006275
Energy: 0.6094359188566043
Energy: 0.5596080381473966
Energy: 0.5550598415472857
Energy: 0.5608198513821878
Energy: 0.5547862619802939
Energy: 0.5583578084904217
Energy: 0.581235748033409
Energy: 0.5543680161934532
Energy: 0.5541891475375244
Energy: 0.5555334031030527
Energy: 0.5529491813805827
Energy: 0.5544776959949997
Energy: 0.5731332123494313
Energy: 0.5548912989360109
Energy: 0.5554422637323269
Energy: 0.5545400505202511
Energy: 0.5530596465884616
Energy: 0.5559461849175669
Energy: 0.5663025611142195
Energy: 0.5549203169362972
Energy: 0.5584781476093508
Energy: 0.5643190870678054
Energy: 0.5594897859340073
Energy: 0.5592142546116446
Energy: 0.5642391508272395
Energy: 0.5570751815547651
Energy: 0.557483875415562
Energy: 0.5513786761268432
Energy: 0.554667992757717
Energy: 0.557171216538849
Energy: 0.5677561513409738
Energy: 0.5522115134228848
Energy: 0.552245575910379
Energy: 0.5647897790815858
Energy: 0.5489655972298638
Energy: 0.5529306960978401
Energy: 0.5525438303693836
Energy: 0.5547768106368667
Energy: 0.5553612362653696
Energy: 0.5674771226221546
Energy: 0.5530699503042782
Energy: 0.5604080704284763
Energy: 0.5581112016945643
Energy: 0.557817981441434
Energy: 0.5565813515826028
Energy: 0.551936798537099
Energy: 0.5554272419724099
Energy: 0.5552852203400243
Energy: 0.5536876621906093
Energy: 0.5603143444945871
Energy: 0.5582144753263955
Energy: 0.5512057436665082
Energy: 0.5625384399426231
Energy: 0.5575343048127848
Energy: 0.5759864240426817
Energy: 0.5460566080935357
Energy: 0.5466401107708883
Energy: 0.5544049136221479
Energy: 0.5431184655419841
Energy: 0.5479051213116547
Energy: 0.5814876615983124
Energy: 0.5448145156856542
Energy: 0.552219797883661
Energy: 0.5595789200246246
Energy: 0.5389937055012574
Energy: 0.5580495892768269
Energy: 0.5682760680467132
Energy: 0.5597879252957089
Energy: 0.558948711631809
Energy: 0.5496639415719186
Energy: 0.5593416868100359
Energy: 0.5566373780216174
Energy: 0.5669394658611139
Energy: 0.5583422401708567
Energy: 0.5568638545679114
Energy: 0.5490939511966314
Energy: 0.5535942134386811
Energy: 0.5562120870774723
Energy: 0.5807647390553602
Energy: 0.5558393102569559
Energy: 0.5565817578960616
Energy: 0.5591743118221602
Energy: 0.5508151629025502
Energy: 0.5570928022220052
Energy: 0.5815910475437972
Energy: 0.5539495952377292
Energy: 0.5553238098890808
Energy: 0.5551757200342721
Energy: 0.5514403927988608
Energy: 0.5563966976877186
Energy: 0.5630946267378479
Energy: 0.5567675558841542
Energy: 0.5546961443795152
Energy: 0.5373347179275852
Energy: 0.5511991728310901
Energy: 0.5586675391675737

minimum gb energy = 0.536701993558102 eV
minimum distance =  2.6602686994636 Angstroms
sigma value = 33


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

Energy: 0.009717989284980837
Energy: 0.011674558379073226
Energy: 0.010114294749016909
Energy: 0.010919155100407406
Energy: 0.593517643655255
Energy: 0.010224792950368107
Energy: 0.010191420572914807
Energy: 0.07089388435624899
Energy: 0.07028433907531227
Energy: 0.07167201934554718
Energy: 0.07172585505370653
Energy: 0.07009188340420021
Energy: 0.8042753847788118
Energy: 0.5933791824626055
Energy: 0.5927448427164254
Energy: 0.591859313516477
Energy: 0.5934647406824675
Energy: 0.5925078379925138
Energy: 0.27613275694859335
Energy: 0.07089388435557517
Energy: 0.07028433907600534
Energy: 0.07167201934587446
Energy: 0.07172585505303271
Energy: 0.07009188340385367

minimum gb energy = 0.009717989284980837 eV
minimum distance =  2.85683979154933 Angstroms
sigma value = 1