Model name: model_name=EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044527357816695
cohesive_energy=3.312098846316254
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.010233433174147256
Energy: 0.01070473927038146
Energy: 0.47213242228154534
Energy: 0.01070473927038146
Energy: 0.01070473926988039
Energy: 0.40089707161124305
Energy: 0.01070473927038146
Energy: 0.4008970716107419
Energy: 0.47213242228201857
Energy: 0.01070473927038146
Energy: 0.010233433174147256
Energy: 0.01070473927038146
Energy: 0.01070473927038146
Energy: 0.4008970716107419
Energy: 0.01070473927038146
Energy: 0.4008970716102687

minimum gb energy = 0.010233433174147256 eV
minimum distance =  2.81675251836829 Angstroms
sigma value = 1


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

Energy: 0.47045009465115084
Energy: 0.5186393630759365
Energy: 0.5801484716802467
Energy: 0.5186393630753289
Energy: 0.4908767110181161
Energy: 0.495015392021672
Energy: 0.4703016893735212
Energy: 0.49501539202288736
Energy: 0.46920021547986157
Energy: 0.5115054316930465
Energy: 0.46065565608337766
Energy: 0.5115054316924389
Energy: 0.4675684030146533
Energy: 0.47645329253608987
Energy: 0.46697246638532536
Energy: 0.47645329253487445
Energy: 0.4586418695535692
Energy: 0.5235259335153098
Energy: 0.4815301368460963
Energy: 0.5235259335147021
Energy: 0.4777516175985884
Energy: 0.4961776362986512
Energy: 0.44109970867065706
Energy: 0.49617763629682815
Energy: 0.48769298752241597
Energy: 0.5129642952347885
Energy: 0.4786885993895903
Energy: 0.5129642952353962
Energy: 0.4751561664113127
Energy: 0.5224502912462912
Energy: 0.44208692215956896
Energy: 0.522450291247479
Energy: 0.46844224312732685
Energy: 0.4787662412183715
Energy: 0.48217388191259
Energy: 0.4787662412208022
Energy: 0.4378476357288371
Energy: 0.5110266259615462
Energy: 0.4763941483486441
Energy: 0.5110266259603309
Energy: 0.48459269002925853
Energy: 0.49516609940620426
Energy: 0.466809917370644
Energy: 0.4951660994055965
Energy: 0.5068007932226359
Energy: 0.5223344161464196
Energy: 0.4446319704305976
Energy: 0.5223344161452045
Energy: 0.47191892506655
Energy: 0.5166507583607622
Energy: 0.4877067786658113
Energy: 0.5166507583607622
Energy: 0.4621537103358838
Energy: 0.4943554438375506
Energy: 0.45683766685687305
Energy: 0.4943554438357275
Energy: 0.4807393442250025
Energy: 0.5189711721430994
Energy: 0.4990705697646523
Energy: 0.5189711721430994
Energy: 0.48063405251637215
Energy: 0.5195960388072128
Energy: 0.49945649321566027
Energy: 0.5195960388072128
Energy: 0.4605065922449255
Energy: 0.5115505418233257
Energy: 0.4633932321998728
Energy: 0.5115505418239336
Energy: 0.470219513189157
Energy: 0.5065500730863001
Energy: 0.48841093680143377
Energy: 0.5065500730856924
Energy: 0.4745309925982423
Energy: 0.5207385490122778
Energy: 0.44405496476094386
Energy: 0.5207385490110623
Energy: 0.4889227863654273
Energy: 0.4779183857725087
Energy: 0.46352938969805135
Energy: 0.4779183857712933
Energy: 0.4394775232372949
Energy: 0.5115137796955084
Energy: 0.47584451443582604
Energy: 0.5115137796949006
Energy: 0.4670484162639329
Energy: 0.4759582674925538
Energy: 0.4951646033333696
Energy: 0.4759582674925538
Energy: 0.49335575469336307
Energy: 0.5233893090781065
Energy: 0.4738729803779841
Energy: 0.5233893090768911
Energy: 0.4963926987976065
Energy: 0.5111068993463027
Energy: 0.4779176365916319
Energy: 0.5111068993456951
Energy: 0.47840275311367936
Energy: 0.4954351927145611
Energy: 0.5001523665071251
Energy: 0.495435192718815
Energy: 0.4564679193629085
Energy: 0.5226073320295297
Energy: 0.46892636590324643
Energy: 0.5226073320277067
Energy: 0.4677699806937895
Energy: 0.5017841226613119
Energy: 0.46795752094415805
Energy: 0.5017841226625274
Energy: 0.4684374817722079
Energy: 0.5100676892168974
Energy: 0.45893108984191344
Energy: 0.5100676892150744
Energy: 0.49071397153536356
Energy: 0.5026890208098986
Energy: 0.47400451742298044
Energy: 0.5026890208117216
Energy: 0.4713369790542644
Energy: 0.5194890203159345
Energy: 0.5079694680600182
Energy: 0.5194890203153266
Energy: 0.4933642694213732
Energy: 0.5105335460023857
Energy: 0.4724991408912739
Energy: 0.5105335460005626
Energy: 0.4711565270255196
Energy: 0.5136934656802274
Energy: 0.46194634377054533
Energy: 0.5136934656808352
Energy: 0.458538502337967
Energy: 0.49156367761967085
Energy: 0.4628578828121012
Energy: 0.49156367762088626

minimum gb energy = 0.4378476357288371 eV
minimum distance =  2.49894588662558 Angstroms
sigma value = 1


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

Energy: 0.48699193324821943
Energy: 0.5511915891953374
Energy: 0.6088901411209968
Energy: 0.5511915892008804
Energy: 0.49343116161399025
Energy: 0.5171567425535428
Energy: 0.49686937559123556
Energy: 0.5171567425528498
Energy: 0.48784871913803607
Energy: 0.4902031357695072
Energy: 0.48123628210595293
Energy: 0.4902031357667357
Energy: 0.45142277761907573
Energy: 0.47025704486311026
Energy: 0.48705886477432914
Energy: 0.47025704486311026
Energy: 0.45216832781580224
Energy: 0.48192373940527083
Energy: 0.5240844238941769
Energy: 0.4819237394059637
Energy: 0.5183037481226707
Energy: 0.4809325364491347
Energy: 0.4805751434197763
Energy: 0.4809325364456703
Energy: 0.48632189410195714
Energy: 0.4724003178629241
Energy: 0.48746211551898355
Energy: 0.4724003178082186
Energy: 0.4863934724824167
Energy: 0.490194260730962
Energy: 0.45173798090964207
Energy: 0.49019426072749767
Energy: 0.45783874634024707
Energy: 0.49409891795407757
Energy: 0.5079748013756263
Energy: 0.49409891795061317
Energy: 0.4492366237720066
Energy: 0.49013893772576494
Energy: 0.4990961614143814
Energy: 0.49013893773061507
Energy: 0.48706889074011483
Energy: 0.4895199104859406
Energy: 0.4970238954026655
Energy: 0.4895199104873264
Energy: 0.4703761436760873
Energy: 0.5435760681751134
Energy: 0.47730302770223454
Energy: 0.5435760681771922
Energy: 0.49435585903264184
Energy: 0.48435388847158045
Energy: 0.4876886991474942
Energy: 0.4843538884674232
Energy: 0.49446154319676566
Energy: 0.484253843103835
Energy: 0.5021059111009442
Energy: 0.48425384310868513
Energy: 0.4704674241217917
Energy: 0.5435806255681006
Energy: 0.48109261343323306
Energy: 0.5435806255667148
Energy: 0.4873227593418862
Energy: 0.49030216584581476
Energy: 0.49696875234740984
Energy: 0.4903021658451219
Energy: 0.4492883340156513
Energy: 0.4900538174312793
Energy: 0.48720651227467554
Energy: 0.4900538174347437
Energy: 0.457740992690629
Energy: 0.49415393940663305
Energy: 0.5080217956433796
Energy: 0.49415393940455443
Energy: 0.48637067999084366
Energy: 0.4903227070467284
Energy: 0.4608395295714568
Energy: 0.4903227070411854
Energy: 0.48636102336706705
Energy: 0.4716608750425743
Energy: 0.4925979173431554
Energy: 0.47166087504811727
Energy: 0.5183275291944526
Energy: 0.48135244606006033
Energy: 0.46934402403995057
Energy: 0.48135244604831295
Energy: 0.4513094735796125
Energy: 0.481943445018844
Energy: 0.485198639206952
Energy: 0.481943445018844
Energy: 0.4513622054319328
Energy: 0.47042731935656007
Energy: 0.48715381559331095
Energy: 0.47042731935170995
Energy: 0.48744559871339993
Energy: 0.4902307614204023
Energy: 0.4811272485642792
Energy: 0.4902307614197094
Energy: 0.48637499693521447
Energy: 0.5173312995462864
Energy: 0.4968219979387337
Energy: 0.5173312995442079
Energy: 0.48699193324821943
Energy: 0.5511915891953374
Energy: 0.5408385184694637
Energy: 0.5511915892008804
Energy: 0.4934311616126046
Energy: 0.5171567425528498
Energy: 0.49686937559192845
Energy: 0.5171567425528498
Energy: 0.4878487191387289
Energy: 0.4902031357702001
Energy: 0.4697268046554186
Energy: 0.49020313576604285
Energy: 0.45142277761699706
Energy: 0.4702570448651574
Energy: 0.48616490109035887
Energy: 0.47025704486241743

minimum gb energy = 0.4492366237720066 eV
minimum distance =  2.51056904065099 Angstroms
sigma value = 25


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

Energy: 0.48216756527812804
Energy: 0.5653116148628174
Energy: 0.6409494157337207
Energy: 0.5653116148628174
Energy: 0.5009846462096975
Energy: 0.5249398752466141
Energy: 0.46311634103716603
Energy: 0.5249398752466141
Energy: 0.5119290146094041
Energy: 0.5907567609789802
Energy: 0.4664712426047036
Energy: 0.590756760980591
Energy: 0.45981476117115877
Energy: 0.5029204551443184
Energy: 0.4867004479614941
Energy: 0.502920455141902
Energy: 0.48665481590049914
Energy: 0.5521389493936403
Energy: 0.5395858754497876
Energy: 0.5521389493944457
Energy: 0.5373664700388455
Energy: 0.540336274513934
Energy: 0.5383240157210445
Energy: 0.5403362745099249
Energy: 0.5018171500832691
Energy: 0.4669094008978165
Energy: 0.5135123768546703
Energy: 0.4669094008978165
Energy: 0.6058604335562534
Energy: 0.5671893169545043
Energy: 0.49660082526934274
Energy: 0.5671893169528933
Energy: 0.5127494765675611
Energy: 0.5182365822323617
Energy: 0.5017920556106285
Energy: 0.5182365822315745
Energy: 0.46407676684172716
Energy: 0.5724300377599063
Energy: 0.4794726735786352
Energy: 0.5724300377599063
Energy: 0.4979521521130078
Energy: 0.5521997403927968
Energy: 0.5198385039294097
Energy: 0.5521997403927968
Energy: 0.5140558540520019
Energy: 0.5654970666967591
Energy: 0.5375795817593823
Energy: 0.5654970666975647
Energy: 0.46603127165436653
Energy: 0.5314876364164527
Energy: 0.4809307418930486
Energy: 0.5314876364156473
Energy: 0.5135837573724528
Energy: 0.4661312211906736
Energy: 0.5006993175004913
Energy: 0.4661312211906736
Energy: 0.5026729898389184
Energy: 0.5679459397759313
Energy: 0.4953487972686439
Energy: 0.5679459397759313
Energy: 0.500592929390945
Energy: 0.46699879226816443
Energy: 0.48618950240811104
Energy: 0.46699879226816443
Energy: 0.4922003097842926
Energy: 0.590979698730368
Energy: 0.4937249089866525
Energy: 0.5909796987287572
Energy: 0.49855396240249955
Energy: 0.5567647980020202
Energy: 0.49800996444907836
Energy: 0.5567647980020202
Energy: 0.46392113344882535
Energy: 0.5022074542289985
Energy: 0.4862206156103599
Energy: 0.5022074542289985
Energy: 0.5009579461137676
Energy: 0.545264188068259
Energy: 0.46542140922494046
Energy: 0.5452641880690646
Energy: 0.4834876527591874
Energy: 0.5191746499038806
Energy: 0.4646770422331687
Energy: 0.5191746499030753
Energy: 0.4833235225068291
Energy: 0.5662481343711725
Energy: 0.5387211851645174
Energy: 0.5662481343711725
Energy: 0.5013980143424346
Energy: 0.5373307549573968
Energy: 0.4631343999303203
Energy: 0.5373307549573968
Energy: 0.5140738100508919
Energy: 0.590263765439053
Energy: 0.46403082262206297
Energy: 0.5902637654374422
Energy: 0.500334558851957
Energy: 0.4890602757931561
Energy: 0.49341606966690954
Energy: 0.4890602757955724

minimum gb energy = 0.45981476117115877 eV
minimum distance =  2.5307156673143 Angstroms
sigma value = 9


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

Energy: 0.4856588716636227
Energy: 0.4858868855727788
Energy: 0.677297006344202
Energy: 0.4858868855727788
Energy: 0.5112386349257372
Energy: 0.5374564940876809
Energy: 0.5022478957856489
Energy: 0.5374564940886418
Energy: 0.5175267271206205
Energy: 0.491245345849874
Energy: 0.4774888004101249
Energy: 0.491245345849874
Energy: 0.5761113452443332
Energy: 0.5352469280002043
Energy: 0.5060193384406153
Energy: 0.5352469279973219
Energy: 0.5757124814950704
Energy: 0.5205922158413302
Energy: 0.5031244870850653
Energy: 0.5205922158413302
Energy: 0.4915588979989774
Energy: 0.49087183120475575
Energy: 0.5294700797408532
Energy: 0.49087183120475575
Energy: 0.5038802947481941
Energy: 0.505922052698618
Energy: 0.5057598624682638
Energy: 0.5059220526966964
Energy: 0.5649447176318568
Energy: 0.4907762821798911
Energy: 0.5019321653339166
Energy: 0.49077628217796937
Energy: 0.5058473748702356
Energy: 0.5376942724568488
Energy: 0.4994886192238341
Energy: 0.5376942724568488
Energy: 0.48628433422210776
Energy: 0.4867130166995847
Energy: 0.5297652972410761
Energy: 0.48671301670246725
Energy: 0.5019884993239485
Energy: 0.5198804021017625
Energy: 0.4774980023001434
Energy: 0.5198804021027233
Energy: 0.5060849689770243
Energy: 0.49092129020164393
Energy: 0.5059573662030147
Energy: 0.4909212902035656
Energy: 0.48828800239794384
Energy: 0.49191382010834594
Energy: 0.49892255833586635
Energy: 0.49191382010834594
Energy: 0.5367989096320981
Energy: 0.4917721425437815
Energy: 0.4969166164666321
Energy: 0.4917721425437815
Energy: 0.4942391118928559
Energy: 0.49173605369610285
Energy: 0.5358976711118733
Energy: 0.4917360536980246
Energy: 0.5062381455952505
Energy: 0.49104540700801347
Energy: 0.5059576372062933
Energy: 0.4910454070070526
Energy: 0.5019874086004238
Energy: 0.5198682950591098
Energy: 0.48505102933060307
Energy: 0.519868295058149
Energy: 0.48588788169635067
Energy: 0.48668165649133177
Energy: 0.5296623339404974
Energy: 0.486681656490371
Energy: 0.5060166580798953
Energy: 0.5377127082389048
Energy: 0.5071521668248709
Energy: 0.5377127082379439
Energy: 0.564930495261945
Energy: 0.49085412939708595
Energy: 0.5018800431091898
Energy: 0.49085412939612505
Energy: 0.5037313723011789
Energy: 0.5058832505633462
Energy: 0.5056781743388826
Energy: 0.5058832505633462

minimum gb energy = 0.4774888004101249 eV
minimum distance =  2.65857720496913 Angstroms
sigma value = 25


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

Energy: 0.497752942791869
Energy: 0.5301779194740851
Energy: 0.706972066143795
Energy: 0.5301779194740851
Energy: 0.4842607540052423
Energy: 0.5351634158461657
Energy: 0.47676233673115603
Energy: 0.5351634158473539
Energy: 0.5108948981787392
Energy: 0.5438063713813744
Energy: 0.47762540702153866
Energy: 0.5438063713837509
Energy: 0.52769454340683
Energy: 0.5633564835013757
Energy: 0.5626377617753571
Energy: 0.563356483502564
Energy: 0.5617443151320798
Energy: 0.5097091678315004
Energy: 0.5138462063636773
Energy: 0.5097091678303121
Energy: 0.47805512768340847
Energy: 0.5423762143695073
Energy: 0.5109759682053089
Energy: 0.5423762143695073
Energy: 0.5137820348368605
Energy: 0.5422266155256802
Energy: 0.5105837714160902
Energy: 0.5422266155268686
Energy: 0.5901114257884231
Energy: 0.5781896525625568
Energy: 0.5032377138094464
Energy: 0.5781896525613686
Energy: 0.47730431766644255
Energy: 0.5072248890149034
Energy: 0.4906551167254838
Energy: 0.5072248890149034
Energy: 0.58522320643255
Energy: 0.5723447618148274
Energy: 0.5114038935153796
Energy: 0.5723447618160158
Energy: 0.5583330533439012
Energy: 0.5632576837888409
Energy: 0.6378697650344872
Energy: 0.5632576837888409
Energy: 0.5115590926323577
Energy: 0.5076701140072697
Energy: 0.5823675076590752
Energy: 0.5076701140060815
Energy: 0.5593672244379995
Energy: 0.5429118480745712
Energy: 0.4762376696387199
Energy: 0.5429118480745712
Energy: 0.5181285807151349
Energy: 0.5277628027627325
Energy: 0.5278070413707091
Energy: 0.5277628027627325
Energy: 0.5299754708520109
Energy: 0.5279781230547985
Energy: 0.5888391241808443
Energy: 0.5279781230559869
Energy: 0.4843341702949992
Energy: 0.5450910314698653
Energy: 0.47764197045037754
Energy: 0.5450910314710536
Energy: 0.5103930271367656
Energy: 0.5275531961815954
Energy: 0.5842800149225321
Energy: 0.527553196180407

minimum gb energy = 0.4762376696387199 eV
minimum distance =  2.6390327389056 Angstroms
sigma value = 17


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

Energy: 0.5137969819896996
Energy: 0.514466076928887
Energy: 0.6914078121278352
Energy: 0.514466076928887
Energy: 0.539216112442396
Energy: 0.5320236941184316
Energy: 0.48429177740798934
Energy: 0.5320236941191047
Energy: 0.5746462940643158
Energy: 0.5181110966291763
Energy: 0.484522472673945
Energy: 0.5181110966278304
Energy: 0.5222640259491123
Energy: 0.5869266728797748
Energy: 0.5333496723788987
Energy: 0.5869266728791019
Energy: 0.5725390670546643
Energy: 0.5051622461841593
Energy: 0.5083093069259355
Energy: 0.5051622461848323
Energy: 0.4940776900458041
Energy: 0.5218371314367533
Energy: 0.5596484884101384
Energy: 0.5218371314347344
Energy: 0.5093008393415974
Energy: 0.5341416798109768
Energy: 0.5071357977328714
Energy: 0.5341416798116498
Energy: 0.5816327731042595
Energy: 0.5217410343203946
Energy: 0.4989750184072557
Energy: 0.5217410343203946
Energy: 0.528595980031803
Energy: 0.542481144848809
Energy: 0.5808437944688991
Energy: 0.5424811448474632
Energy: 0.6207651993740371
Energy: 0.5221293277580752
Energy: 0.5231979336328398
Energy: 0.5221293277580752
Energy: 0.4856929481610719
Energy: 0.5153304348009273
Energy: 0.576238027159347
Energy: 0.5153304348022733
Energy: 0.5139793737151236
Energy: 0.530967992030895
Energy: 0.5136605577919917
Energy: 0.530967992031568
Energy: 0.574316323372977
Energy: 0.5153423152168014
Energy: 0.5162355502109266
Energy: 0.5153423152168014
Energy: 0.48492335241088214
Energy: 0.5521947831530684
Energy: 0.5382575733821354
Energy: 0.5521947831530684
Energy: 0.5366100697278451
Energy: 0.5445262454039307
Energy: 0.5156910823755549
Energy: 0.5445262454039307
Energy: 0.5599125297577726
Energy: 0.5215239457803745
Energy: 0.5594008660737287
Energy: 0.5215239457810474
Energy: 0.5072686491780931
Energy: 0.5421756855619001
Energy: 0.6018400566290436
Energy: 0.5421756855619001
Energy: 0.5356476607812457
Energy: 0.5103194706949986
Energy: 0.49406008325752443
Energy: 0.5103194706949986
Energy: 0.5158262445088904
Energy: 0.5408786095466933
Energy: 0.5116342225768937
Energy: 0.5408786095466933
Energy: 0.5105259702402121
Energy: 0.5154481894549695
Energy: 0.5109703551717475
Energy: 0.5154481894549695
Energy: 0.5216198102882895
Energy: 0.5102966793415398
Energy: 0.5568401055177684
Energy: 0.5102966793401937
Energy: 0.507032005328335
Energy: 0.5757675312236741
Energy: 0.6212403995427696
Energy: 0.575767531224347
Energy: 0.5282088697251843
Energy: 0.5155053630803708
Energy: 0.4830320932869005
Energy: 0.5155053630810438
Energy: 0.5151935611507737
Energy: 0.5417497035756849
Energy: 0.5751437027936537
Energy: 0.5417497035763578
Energy: 0.521232652553108
Energy: 0.5170827589003192
Energy: 0.5771490370644007
Energy: 0.5170827588989731
Energy: 0.5891095784418137
Energy: 0.5160049443453487
Energy: 0.4836313950586866
Energy: 0.5160049443440029
Energy: 0.5077419153404259
Energy: 0.6175833242418208
Energy: 0.636974478697465
Energy: 0.6175833242398019
Energy: 0.5623440261979701
Energy: 0.5214721625457963
Energy: 0.5573591870889149
Energy: 0.5214721625457963
Energy: 0.6049284181207056
Energy: 0.5157582530335881
Energy: 0.5094284300797792
Energy: 0.5157582530356071
Energy: 0.49890980490856374
Energy: 0.5404182677824791
Energy: 0.6149862798086422
Energy: 0.5404182677811332

minimum gb energy = 0.4830320932869005 eV
minimum distance =  2.50419860390013 Angstroms
sigma value = 53


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

Energy: 0.5008095091939325
Energy: 0.5019577279809765
Energy: 0.737683604492299
Energy: 0.5019577279794273
Energy: 0.5324745548653197
Energy: 0.5347561689995229
Energy: 0.5510960182895681
Energy: 0.5347561690010723
Energy: 0.44168877686573377
Energy: 0.4304185323404098
Energy: 0.5142808204675646
Energy: 0.4304185323404098
Energy: 0.43078584406724807
Energy: 0.45906418243664904
Energy: 0.5145056005592281
Energy: 0.45906418243664904
Energy: 0.6203814016647108
Energy: 0.5073597402758762
Energy: 0.5687799726099475
Energy: 0.5073597402743268
Energy: 0.4302475995461515
Energy: 0.43069676153354913
Energy: 0.6260913765111175
Energy: 0.4306967615350984
Energy: 0.5070497596361458
Energy: 0.5347561690010723
Energy: 0.5510960182911174
Energy: 0.5347561690010723
Energy: 0.44168877686418445
Energy: 0.4304185323404098
Energy: 0.5221215704818412
Energy: 0.4304185323419591
Energy: 0.43078584406569875
Energy: 0.45906418243664904
Energy: 0.5144724406839752
Energy: 0.4590641824350998
Energy: 0.6203814016631615
Energy: 0.5320388304926424
Energy: 0.5444774275561807
Energy: 0.5320388304910931
Energy: 0.5008095091908339
Energy: 0.5019577279809765
Energy: 0.6353065902461357
Energy: 0.5019577279809765
Energy: 0.5324745548637704
Energy: 0.5347561690010723
Energy: 0.5510960182911174
Energy: 0.5347561690010723
Energy: 0.4416887768672831
Energy: 0.4304185323419591
Energy: 0.5101306646700869
Energy: 0.4304185323435084

minimum gb energy = 0.4302475995461515 eV
minimum distance =  2.60848277695182 Angstroms
sigma value = 9


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

Energy: 0.4977322809241783
Energy: 0.6262372738140294
Energy: 0.701251960646275
Energy: 0.6262372738123092
Energy: 0.6168223831737761
Energy: 0.5224456639212328
Energy: 0.5028227291356049
Energy: 0.522445663920086
Energy: 0.49472528910377817
Energy: 0.5207539612362393
Energy: 0.49374057196923365
Energy: 0.5207539612385331
Energy: 0.5728728394588196
Energy: 0.5496554806194336
Energy: 0.500487129309076
Energy: 0.5496554806188602
Energy: 0.5745823765211848
Energy: 0.5205466128918996
Energy: 0.5031002925532708
Energy: 0.5205466128953403
Energy: 0.4921567513105342
Energy: 0.49236738523798784
Energy: 0.5836814302860094
Energy: 0.4923673852402816
Energy: 0.6701848852369275
Energy: 0.5190797639783798
Energy: 0.5020368218599753
Energy: 0.5190797639783798
Energy: 0.49849101826650044
Energy: 0.6374657667602465
Energy: 0.5862534889136138
Energy: 0.6374657667585262
Energy: 0.4958686514464814
Energy: 0.5849445574065022
Energy: 0.496984967490585
Energy: 0.5849445574065022
Energy: 0.5040480422183325
Energy: 0.5304248467970609
Energy: 0.5024497912197033
Energy: 0.5304248467976342
Energy: 0.4993934601351014
Energy: 0.5793293119153037
Energy: 0.678004574524211
Energy: 0.5793293119135835
Energy: 0.5852574778820638
Energy: 0.6074953395319364
Energy: 0.5015074747443767
Energy: 0.6074953395290692
Energy: 0.4967361588370045
Energy: 0.5966712847910624
Energy: 0.6252124880203539
Energy: 0.5966712847893421
Energy: 0.566777385095315
Energy: 0.6282180882580215
Energy: 0.5022463488429125
Energy: 0.6282180882603152
Energy: 0.5035640253195941
Energy: 0.5850587621878398
Energy: 0.5778154515843724
Energy: 0.5850587621884134
Energy: 0.4983988764246782
Energy: 0.6135614318750342
Energy: 0.5789390445025433
Energy: 0.6135614318756076
Energy: 0.5378395568845524
Energy: 0.5279743451035932
Energy: 0.5037428221870668
Energy: 0.5279743451053135
Energy: 0.5013675218101323
Energy: 0.5191020785940881
Energy: 0.5739219432238974
Energy: 0.5191020785940881
Energy: 0.6006262408685966
Energy: 0.5687274194792685
Energy: 0.49360664292236106
Energy: 0.5687274194815621
Energy: 0.5016822817422102
Energy: 0.5273962354321352
Energy: 0.5520246760119738
Energy: 0.5273962354309883
Energy: 0.5831127683424147
Energy: 0.6385910849637314
Energy: 0.5702450772643818
Energy: 0.6385910849614377
Energy: 0.5437500918812138
Energy: 0.5607785339629436
Energy: 0.5037962822397388
Energy: 0.5607785339635171
Energy: 0.4970059212970527
Energy: 0.5690146149322235
Energy: 0.49610892007764784
Energy: 0.5690146149339437
Energy: 0.6809081064996952
Energy: 0.5800465090195093
Energy: 0.49771701206162444
Energy: 0.580046509017789
Energy: 0.5018397210668968
Energy: 0.5924789630378972
Energy: 0.6416807704164389
Energy: 0.5924789630361769
Energy: 0.5435534485350274
Energy: 0.5188898136290018
Energy: 0.4951688849963355
Energy: 0.5188898136290018
Energy: 0.5806980509270563
Energy: 0.5678846905196098
Energy: 0.5634017238150115
Energy: 0.5678846905207566
Energy: 0.5064143303334798
Energy: 0.6062800893171372
Energy: 0.5631047797358127
Energy: 0.6062800893159904
Energy: 0.5326427774071021
Energy: 0.5192953671570544
Energy: 0.49453771616631303
Energy: 0.5192953671559075
Energy: 0.5016841308803683
Energy: 0.5923750721632659
Energy: 0.642944307368948
Energy: 0.5923750721615456
Energy: 0.6475982628569183
Energy: 0.57989319142736
Energy: 0.4970492195275927
Energy: 0.5798931914285068
Energy: 0.49337029992205944
Energy: 0.5199557210999346
Energy: 0.5028022348808405
Energy: 0.5199557211010813
Energy: 0.501730770206352
Energy: 0.5599655043062223
Energy: 0.5046191607261934
Energy: 0.5599655043062223
Energy: 0.5869573613178363
Energy: 0.5969192170027301
Energy: 0.5685231357228903
Energy: 0.5969192170033034
Energy: 0.5031473298981531
Energy: 0.5887175610111846
Energy: 0.671860811651272
Energy: 0.5887175610088908

minimum gb energy = 0.4921567513105342 eV
minimum distance =  2.54154322759954 Angstroms
sigma value = 73


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

Energy: 0.5338324602912329
Energy: 0.570185310313042
Energy: 0.7135766926661439
Energy: 0.5701853103139519
Energy: 0.5541922215258582
Energy: 0.5405825294507377
Energy: 0.5093615595914953
Energy: 0.5405825294480084
Energy: 0.5092095016807012
Energy: 0.5162952434501619
Energy: 0.4964783623746979
Energy: 0.5162952434492519
Energy: 0.5019614367427478
Energy: 0.5334972179181364
Energy: 0.5101570519313444
Energy: 0.533497217915407
Energy: 0.545126511411177
Energy: 0.5414380431728331
Energy: 0.5415938822801251
Energy: 0.5414380431719232
Energy: 0.5105358871606479
Energy: 0.5086612847610215
Energy: 0.6432730190329302
Energy: 0.5086612847619313
Energy: 0.6489065485895358
Energy: 0.5850201717605578
Energy: 0.5094007683666746
Energy: 0.5850201717623773
Energy: 0.5013049191652543
Energy: 0.531073278862102
Energy: 0.6153194245992191
Energy: 0.5310732788602824
Energy: 0.6502871786000785
Energy: 0.4931410332534835
Energy: 0.49244854195082416
Energy: 0.4931410332543933
Energy: 0.51072649532036
Energy: 0.5434153554157289
Energy: 0.5108006719029122
Energy: 0.5434153554157289
Energy: 0.5011945177254353
Energy: 0.5160868625291548
Energy: 0.6166733743260602
Energy: 0.5160868625255157
Energy: 0.567983957304565
Energy: 0.5090736438999751
Energy: 0.501798481484536
Energy: 0.5090736438999751
Energy: 0.510694561299062
Energy: 0.5348326495571677
Energy: 0.5723074034242612
Energy: 0.5348326495571677
Energy: 0.6553450384620644
Energy: 0.5766663819246983
Energy: 0.5108090110421365
Energy: 0.5766663819246983
Energy: 0.5085992623652685
Energy: 0.6004633911501848
Energy: 0.6180717723172787
Energy: 0.6004633911538241
Energy: 0.6166938506349152
Energy: 0.5318096242857782
Energy: 0.5015477994223246
Energy: 0.5318096242830488
Energy: 0.5446008578044436
Energy: 0.5352632485768033
Energy: 0.508995628392866
Energy: 0.535263248574074
Energy: 0.5354812810607483
Energy: 0.5701302171794806
Energy: 0.5089072013637488
Energy: 0.5701302171794806
Energy: 0.5713451658597508
Energy: 0.515909726292139
Energy: 0.5001327126173271
Energy: 0.5159097262939586
Energy: 0.5090700386695329
Energy: 0.5532666624992933
Energy: 0.6501909291266871
Energy: 0.5532666624956543
Energy: 0.6751607864919636
Energy: 0.5196463178679163
Energy: 0.509527790794429
Energy: 0.5196463178660966
Energy: 0.5240449523329035
Energy: 0.5418891534706324
Energy: 0.5639942336572346
Energy: 0.5418891534679029

minimum gb energy = 0.49244854195082416 eV
minimum distance =  2.55641806084095 Angstroms
sigma value = 7


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

Energy: 0.5167015248049192
Energy: 0.5178454521306087
Energy: 0.7037468955828328
Energy: 0.5178454521318954
Energy: 0.6556246400899821
Energy: 0.5364723685505213
Energy: 0.5129361865608515
Energy: 0.5364723685556678
Energy: 0.5124188787777378
Energy: 0.5171422692808731
Energy: 0.5291407433218535
Energy: 0.5171422692776566
Energy: 0.5406965983399655
Energy: 0.5493536035407457
Energy: 0.5187251440757555
Energy: 0.5493536035446056
Energy: 0.511026498415726
Energy: 0.5399437960230327
Energy: 0.5318920045796438
Energy: 0.5399437960172428
Energy: 0.5050050409172286
Energy: 0.5438742788526381
Energy: 0.661438266293413
Energy: 0.543874278856498
Energy: 0.5807367113992651
Energy: 0.6131845352497207
Energy: 0.5328206633914294
Energy: 0.6131845352458608
Energy: 0.5049916517882949
Energy: 0.5434279559567559
Energy: 0.6970451863819298
Energy: 0.543427955954826
Energy: 0.5799231047487029
Energy: 0.5460705083524043
Energy: 0.5085594684180658
Energy: 0.5460705083575508
Energy: 0.5108075047778745
Energy: 0.5605580153122418
Energy: 0.5608606272994838
Energy: 0.5605580153128852
Energy: 0.5430232206788803
Energy: 0.5509973161005679
Energy: 0.5392023668637246
Energy: 0.5509973160967081
Energy: 0.5346688052135836
Energy: 0.5399361806892737
Energy: 0.5345452499208095
Energy: 0.5399361806867006
Energy: 0.5221971499864054
Energy: 0.5187205177593212
Energy: 0.5356754577090383
Energy: 0.5187205177657541
Energy: 0.5425712979735894
Energy: 0.5431179306315169
Energy: 0.5354762512122961
Energy: 0.5431179306283004
Energy: 0.5091104964836002
Energy: 0.6030478841330666
Energy: 0.6078671696694514
Energy: 0.6030478841420732
Energy: 0.7114772239258522
Energy: 0.5180129436116007
Energy: 0.5064313738337637
Energy: 0.5180129436090275
Energy: 0.5167444270913208
Energy: 0.5479932959759775
Energy: 0.5835084408515839
Energy: 0.5479932959772641
Energy: 0.528272871204108
Energy: 0.5970249875467952
Energy: 0.5342624717409064
Energy: 0.5970249875435787
Energy: 0.51697725198487
Energy: 0.5437782244965869
Energy: 0.5375918047204339
Energy: 0.5437782244991601
Energy: 0.5105530595859334
Energy: 0.5389852656702879
Energy: 0.5344848880720959
Energy: 0.5389852656696446
Energy: 0.5388080635902193
Energy: 0.5287243822380516
Energy: 0.5087312589800356
Energy: 0.5287243822367942
Energy: 0.511057652191963
Energy: 0.5173721064791716
Energy: 0.5769495318969243
Energy: 0.5173721064720952
Energy: 0.6472392745218627
Energy: 0.5723682076263809
Energy: 0.539135048605874
Energy: 0.5723682076257376
Energy: 0.518638480700629
Energy: 0.5182538477518456
Energy: 0.6414386025635842
Energy: 0.5182538477499156
Energy: 0.5377463652793587
Energy: 0.5389823418530797
Energy: 0.5320495777559842
Energy: 0.5389823418492199
Energy: 0.5432700083188979
Energy: 0.5448883948021621
Energy: 0.5317122123244363
Energy: 0.5448883948028054
Energy: 0.5132138626796253
Energy: 0.5511140205326576
Energy: 0.5692104394207648
Energy: 0.5511140205371609
Energy: 0.539333442072196
Energy: 0.5480018161286272
Energy: 0.5186282401332979
Energy: 0.5480018161228374
Energy: 0.5025292524073174
Energy: 0.5440419340579735
Energy: 0.6327704384837226
Energy: 0.5440419340579735
Energy: 0.5872265336123824
Energy: 0.5831132423755397
Energy: 0.5131139143622921
Energy: 0.5831132423755397
Energy: 0.5025300505178271
Energy: 0.5440473641139945
Energy: 0.6342322326663195
Energy: 0.544047364117211

minimum gb energy = 0.5025292524073174 eV
minimum distance =  2.55419654711206 Angstroms
sigma value = 29


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

Energy: 0.47321322470662225
Energy: 0.5940908125006599
Energy: 0.7463674052390146
Energy: 0.5940908125004356
Energy: 0.48916743976396543
Energy: 0.47472318076918657
Energy: 0.47591800293923187
Energy: 0.47472341441630006
Energy: 0.5044140174871221
Energy: 0.47424579820680657
Energy: 0.526630575825903
Energy: 0.47424580010451056
Energy: 0.47419169464800937
Energy: 0.4650940501854139
Energy: 0.4739259660434026
Energy: 0.4650940501847665
Energy: 0.47353651614173203
Energy: 0.5514829720834321
Energy: 0.5002503800927633
Energy: 0.5514829720836562
Energy: 0.5054513686833733
Energy: 0.5030390530193336
Energy: 0.5054248099622645
Energy: 0.503039053036638
Energy: 0.5002756615365597
Energy: 0.5514564056243328
Energy: 0.47349751186697425
Energy: 0.5514564056243328
Energy: 0.4739131852334324
Energy: 0.46484148725969304
Energy: 0.47412369119323383
Energy: 0.46484148725180024
Energy: 0.5267326436297981
Energy: 0.4739050346964466
Energy: 0.5511801181103626
Energy: 0.4739050346957992

minimum gb energy = 0.46484148725180024 eV
minimum distance =  2.60966862205599 Angstroms
sigma value = 5


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

Energy: 0.4681528102814707
Energy: 0.5014561810145853
Energy: 0.720792437584433
Energy: 0.5014561810115745
Energy: 0.5901410724298404
Energy: 0.45981745879492786
Energy: 0.47621526258300334
Energy: 0.4598174587912817
Energy: 0.4606939158425054
Energy: 0.5352461566224358
Energy: 0.5679050946990315
Energy: 0.5352461566236512
Energy: 0.5271293059885369
Energy: 0.5063407940831453
Energy: 0.46230751864134156
Energy: 0.5063407940849685
Energy: 0.4702527196340503
Energy: 0.5133095440396686
Energy: 0.5459943311737572
Energy: 0.5133095440378455
Energy: 0.5226896137943868
Energy: 0.5327312424050018
Energy: 0.4623662778513145
Energy: 0.5327312424056094
Energy: 0.4610283860056928
Energy: 0.5076627010114376
Energy: 0.45705319428787466
Energy: 0.5076627010114376
Energy: 0.46138345651760926
Energy: 0.5331537560827506
Energy: 0.47004227127634157
Energy: 0.5331537560833584
Energy: 0.46061436607811596
Energy: 0.509230835015158
Energy: 0.4797387035395437
Energy: 0.5092308350145504
Energy: 0.460561962854071
Energy: 0.5072622431068828
Energy: 0.46515855807105827
Energy: 0.5072622431080983
Energy: 0.4925428054775943
Energy: 0.5501913115689769
Energy: 0.46148200774252707
Energy: 0.5501913115726231
Energy: 0.47803789457687185
Energy: 0.4799663330717285
Energy: 0.5013353849284657
Energy: 0.47996633306869
Energy: 0.5432417807329614
Energy: 0.501656730683392
Energy: 0.5009794761064748
Energy: 0.5016567306828119
Energy: 0.46926568002670355
Energy: 0.5022794982340442
Energy: 0.5212129940046138
Energy: 0.502279498236475
Energy: 0.5673113330517704
Energy: 0.456870748581918
Energy: 0.4617604430925181
Energy: 0.45687074858070265
Energy: 0.46146077201518054
Energy: 0.5033144920259354
Energy: 0.5229541833115435
Energy: 0.5033144920228969
Energy: 0.5371727601908055
Energy: 0.47958278105881263
Energy: 0.4688917142002897
Energy: 0.4795827810594203
Energy: 0.4618295567844759
Energy: 0.5328324559462403
Energy: 0.5759550670396131
Energy: 0.5328324559444173
Energy: 0.46315737436508736
Energy: 0.507621471866004
Energy: 0.4610913535522258
Energy: 0.5076214718635733
Energy: 0.47242674132504914
Energy: 0.5652042821908795
Energy: 0.4802292722274638
Energy: 0.5652042821902717
Energy: 0.47161144549136613
Energy: 0.5059154261188507
Energy: 0.4641393491556264
Energy: 0.5059154261152046
Energy: 0.4801745040470012
Energy: 0.5084661560109899
Energy: 0.460259118372062
Energy: 0.5084661560122052
Energy: 0.4622327867980183
Energy: 0.5507687996473105
Energy: 0.4717356110898656
Energy: 0.5507687996497413
Energy: 0.5012522466637492
Energy: 0.48657884937855816
Energy: 0.4694881025469248
Energy: 0.4865788493803812
Energy: 0.5039039634014638
Energy: 0.4823220204136858
Energy: 0.4634764103236804
Energy: 0.4823220204136858
Energy: 0.481625098040027
Energy: 0.5019699749178161
Energy: 0.47189445437249083
Energy: 0.5019699749184239
Energy: 0.46191728024609163
Energy: 0.45583809120107305
Energy: 0.47900723351980456
Energy: 0.4558380912004653
Energy: 0.5430076106604
Energy: 0.5157154929166071
Energy: 0.46147664619303486
Energy: 0.5157154929190378
Energy: 0.4688284890584764
Energy: 0.46183200630504273
Energy: 0.5340938685113437
Energy: 0.46183200630321963
Energy: 0.5496018834898817
Energy: 0.5337143800392788
Energy: 0.4608237710872115
Energy: 0.5337143800404942
Energy: 0.4612499016718569
Energy: 0.47965432649212963
Energy: 0.5498797490063994
Energy: 0.47965432648969886
Energy: 0.5350498807567202
Energy: 0.532245006483981
Energy: 0.4695858470118063
Energy: 0.5322450064858042
Energy: 0.4608998399302651
Energy: 0.5153100204691444
Energy: 0.4687374541769448
Energy: 0.5153100204685367

minimum gb energy = 0.4558380912004653 eV
minimum distance =  2.55917340648296 Angstroms
sigma value = 1


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

Energy: 0.4727928718097581
Energy: 0.4732461819847712
Energy: 0.7496972381042871
Energy: 0.4732461819872919
Energy: 0.5699905989732835
Energy: 0.541604555508729
Energy: 0.4386903379402093
Energy: 0.54160455551209
Energy: 0.43357134032668637
Energy: 0.5251737477469349
Energy: 0.5249007070220636
Energy: 0.5251737477444143
Energy: 0.48741145475906833
Energy: 0.48867596416679265
Energy: 0.42993078130129736
Energy: 0.4886759641651313
Energy: 0.44684103238443346
Energy: 0.4543517017122963
Energy: 0.5432567003121379
Energy: 0.45435170170641465
Energy: 0.4443915085298722
Energy: 0.4956895579545251
Energy: 0.4299345615630387
Energy: 0.49568955795116426
Energy: 0.4336859173624454
Energy: 0.5112869220643055
Energy: 0.48230022865900624
Energy: 0.5112869220685066
Energy: 0.4337893440753303
Energy: 0.5254122571219557
Energy: 0.49225128162640425
Energy: 0.5254122571253167
Energy: 0.47333724798701493
Energy: 0.4541168663451073
Energy: 0.4986238719761149
Energy: 0.4541168663451073
Energy: 0.4732817680308012
Energy: 0.45402794719759093
Energy: 0.5071214086899103
Energy: 0.4540279471992714
Energy: 0.4338065324297881
Energy: 0.5253418990933083
Energy: 0.46808573488409955
Energy: 0.5253418990941486
Energy: 0.4338970293999431
Energy: 0.5112186054536587
Energy: 0.4824691779115912
Energy: 0.5112186054570005
Energy: 0.4446230298938735
Energy: 0.49565302898217567
Energy: 0.43099221546320426
Energy: 0.49565302898217567
Energy: 0.4468775202708953
Energy: 0.45430743341470003
Energy: 0.5470629732557344
Energy: 0.45430743341385976
Energy: 0.4873836403048126
Energy: 0.48869340319308896
Energy: 0.4299340836447211
Energy: 0.4886934031947694
Energy: 0.43356792240356223
Energy: 0.5252170732760989
Energy: 0.5871433189411283
Energy: 0.5252170732744185
Energy: 0.5701182743299199
Energy: 0.5415015303827619
Energy: 0.4384844260482656
Energy: 0.541501530386963
Energy: 0.4727928718097581
Energy: 0.4732461819847712
Energy: 0.5876164668533103
Energy: 0.4732461819872919
Energy: 0.5699905989724624
Energy: 0.541604555508729
Energy: 0.4386903379402093
Energy: 0.5416045555146106
Energy: 0.43357134032668637
Energy: 0.5251737477460948
Energy: 0.6366981013182719
Energy: 0.5251737477435741
Energy: 0.48741145475906833
Energy: 0.48867596416679265
Energy: 0.42993078130129736
Energy: 0.4886759641659716
Energy: 0.44684103238443346
Energy: 0.4543517017122963
Energy: 0.529889793094111
Energy: 0.45435170170641465
Energy: 0.444391508529032
Energy: 0.49568955795368486
Energy: 0.4299345615630387
Energy: 0.49568955795116426
Energy: 0.4336859173624454
Energy: 0.5112869220651457
Energy: 0.4527299535613332
Energy: 0.5112869220685066

minimum gb energy = 0.42993078130129736 eV
minimum distance =  2.57434914170399 Angstroms
sigma value = 17


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

Energy: 0.47050981428721433
Energy: 0.47121841713454576
Energy: 0.7321331106105766
Energy: 0.47121841713553725
Energy: 0.5201508179893957
Energy: 0.45758578669993727
Energy: 0.4457056910118256
Energy: 0.45758578669993727
Energy: 0.4423827938093467
Energy: 0.5025047558945009
Energy: 0.563187715549557
Energy: 0.502504755896059
Energy: 0.5484570329992032
Energy: 0.540172270911847
Energy: 0.44291777170936353
Energy: 0.5401722709128858
Energy: 0.44830251227621215
Energy: 0.5951741217656511
Energy: 0.559012410206385
Energy: 0.5951741217635738
Energy: 0.4561651745126292
Energy: 0.6086812617478922
Energy: 0.44620574771628985
Energy: 0.6086812617489309
Energy: 0.45537993277999783
Energy: 0.5529786742903314
Energy: 0.4688087399876491
Energy: 0.5529786742903314
Energy: 0.4439138994344301
Energy: 0.5583232402026664
Energy: 0.44555220215331276
Energy: 0.5583232402016278
Energy: 0.47642555507342743
Energy: 0.5467221723242227
Energy: 0.48577204609701574
Energy: 0.5467221723262999
Energy: 0.47814790928593764
Energy: 0.5472808438304607
Energy: 0.44989221954985087
Energy: 0.5472808438268254
Energy: 0.4471013357153525
Energy: 0.5414796661601858
Energy: 0.45077115965657566
Energy: 0.5414796661581086
Energy: 0.43997890036428905
Energy: 0.4796162383051575
Energy: 0.44170985100874605
Energy: 0.47961623830308014
Energy: 0.45127161479653416
Energy: 0.5442709900486902
Energy: 0.44581505268770516
Energy: 0.5442709900481708
Energy: 0.4585457760912693
Energy: 0.5577509510839015
Energy: 0.4710763245612943
Energy: 0.5577509510844209
Energy: 0.45522940194187544
Energy: 0.540976943525023
Energy: 0.47496435778801604
Energy: 0.5409769435260616
Energy: 0.44766522473756415
Energy: 0.5435157874462415
Energy: 0.5513362728850094
Energy: 0.5435157874467608
Energy: 0.45622450374705115
Energy: 0.540687616096313
Energy: 0.4459585562158749
Energy: 0.5406876160968324
Energy: 0.4399023561274918
Energy: 0.5046666448397916
Energy: 0.5534489665700554
Energy: 0.5046666448413496
Energy: 0.5105809050527909
Energy: 0.6656982242924756
Energy: 0.4460813649215773
Energy: 0.6656982242919564
Energy: 0.4432138790420275
Energy: 0.4684723539848566
Energy: 0.5676036792606615
Energy: 0.4684723539848566
Energy: 0.5071653955603758
Energy: 0.4549831779616273
Energy: 0.45260426040552193
Energy: 0.4549831779616273
Energy: 0.45396751469695107
Energy: 0.4727996997706807
Energy: 0.5596276443775112
Energy: 0.4727996997696421
Energy: 0.49446070535784586
Energy: 0.542902998131322
Energy: 0.44435035264229933
Energy: 0.5429029981308027
Energy: 0.4459042631952269
Energy: 0.456204389026517
Energy: 0.5209655999291468
Energy: 0.45620438902859434
Energy: 0.49171830617548073
Energy: 0.5047211876828347
Energy: 0.4412503808470203
Energy: 0.5047211876838733
Energy: 0.44759418560209213
Energy: 0.49744379652415377
Energy: 0.45626490187994206
Energy: 0.49744379652363446
Energy: 0.5120073396541358
Energy: 0.5399656915130081
Energy: 0.4492195612114917
Energy: 0.5399656915135275
Energy: 0.47732441275778154
Energy: 0.5408378639075284
Energy: 0.4552665722829483
Energy: 0.540837863908567
Energy: 0.47109474061616385
Energy: 0.5581019040881054
Energy: 0.4556590551766984
Energy: 0.5581019040865475
Energy: 0.44768695511245943
Energy: 0.5444488520006239
Energy: 0.481231778247682
Energy: 0.5444488520001046
Energy: 0.44167025151332195
Energy: 0.49601468911216473
Energy: 0.4399167613768907
Energy: 0.49601468911268404
Energy: 0.4502189404413728
Energy: 0.5411384049897204
Energy: 0.4446844265842711
Energy: 0.5411384049912784
Energy: 0.44835035994690964
Energy: 0.5445449960870161
Energy: 0.5250247873776739
Energy: 0.5445449960865442
Energy: 0.49170523959301626
Energy: 0.5461049081222576
Energy: 0.4478366292274442
Energy: 0.5461049081227769
Energy: 0.4445436094864643
Energy: 0.5449454002378903
Energy: 0.46976346037623007
Energy: 0.5449454002368516
Energy: 0.46881330383459535
Energy: 0.5533144134825134
Energy: 0.45406792709035654
Energy: 0.5533144134835049
Energy: 0.4443006742957314
Energy: 0.6327477141364234
Energy: 0.44985737146664795
Energy: 0.6327477141348653
Energy: 0.5516289494306181
Energy: 0.4618432697279405
Energy: 0.44638248144277787
Energy: 0.46184327033579287

minimum gb energy = 0.4399023561274918 eV
minimum distance =  2.57052507143716 Angstroms
sigma value = 89


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

Energy: 0.49385481994421
Energy: 0.4937877100993304
Energy: 0.7862473143326769
Energy: 0.49378771010204814
Energy: 0.49061506636867236
Energy: 0.4198796320110216
Energy: 0.4239187552155725
Energy: 0.41987963201238043
Energy: 0.4245424143769952
Energy: 0.5727977622723655
Energy: 0.6057934443121438
Energy: 0.5727977622737241
Energy: 0.46760564337766203
Energy: 0.43253803061741636
Energy: 0.4253207126854646
Energy: 0.43253803061741636
Energy: 0.4118289136403738
Energy: 0.551841607553009
Energy: 0.5705740819398235
Energy: 0.551841607553009
Energy: 0.4119532314751793
Energy: 0.40379409751875067
Energy: 0.4065861526494695
Energy: 0.40379409751875067
Energy: 0.42519376226303457
Energy: 0.4689015565501474
Energy: 0.4037467397655177
Energy: 0.4689015565501474
Energy: 0.443311449637877
Energy: 0.5889029586922708
Energy: 0.4252080513489869
Energy: 0.5889029586977063
Energy: 0.4244410831800566
Energy: 0.4459573106578814
Energy: 0.467106907152226
Energy: 0.4459573106592402
Energy: 0.43235620884879183
Energy: 0.5596309251469359
Energy: 0.4118313644973469
Energy: 0.5596309251496535
Energy: 0.4914826620574452
Energy: 0.4121219298881165
Energy: 0.4120116103931485
Energy: 0.4121219298894753
Energy: 0.4909299111917412
Energy: 0.46709750104291065
Energy: 0.4246939640533558
Energy: 0.46709750104291065
Energy: 0.424541111537401
Energy: 0.4626701571855625
Energy: 0.4392664728116969
Energy: 0.4626701571869212
Energy: 0.4242838907987479
Energy: 0.44501239636035084
Energy: 0.42428828148728875
Energy: 0.4450123963617097
Energy: 0.4385875176169153
Energy: 0.5145391885901403
Energy: 0.42531256114247334
Energy: 0.5145391885887814

minimum gb energy = 0.4037467397655177 eV
minimum distance =  2.51863326323168 Angstroms
sigma value = 13


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

Energy: 0.4192214595684705
Energy: 0.5232326551895594
Energy: 0.7518994542376953
Energy: 0.5232326551878509
Energy: 0.5761909268153725
Energy: 0.5256744859986103
Energy: 0.4077215238134668
Energy: 0.5256744860054446
Energy: 0.4053123794929743
Energy: 0.5267633426327295
Energy: 0.5045844649355601
Energy: 0.5267633426276036
Energy: 0.40839497705582944
Energy: 0.5625587042008259
Energy: 0.40602741147682553
Energy: 0.5625587041979782
Energy: 0.41125685251279687
Energy: 0.5704371067100101
Energy: 0.45445566157496275
Energy: 0.5704371066980757
Energy: 0.41310853551995985
Energy: 0.5056225127809144
Energy: 0.4141010559573275
Energy: 0.5056225127837621
Energy: 0.4113956125116821
Energy: 0.6096963519564094
Energy: 0.5683045864250069
Energy: 0.6096963519490053
Energy: 0.41392835590959015
Energy: 0.5281473116154045
Energy: 0.41399810667735437
Energy: 0.528147311614835
Energy: 0.41085598213642516
Energy: 0.5715234099794585
Energy: 0.4968226309428781
Energy: 0.5715234099817367
Energy: 0.484217729486597
Energy: 0.5730838616750771
Energy: 0.4061328345503489
Energy: 0.5730838616722295
Energy: 0.4110791745048824
Energy: 0.5210165392893049
Energy: 0.4176986617005566
Energy: 0.5210165392847486
Energy: 0.5172150020233243
Energy: 0.5413294576800763
Energy: 0.40996606798456925
Energy: 0.5413294576869108
Energy: 0.42621922326740186
Energy: 0.5061958583910049
Energy: 0.43072210991521986
Energy: 0.5061958583887267
Energy: 0.526650352078891
Energy: 0.522643407583174
Energy: 0.41277158399193803
Energy: 0.5226434075956778
Energy: 0.4111861498312803
Energy: 0.4656566512646245
Energy: 0.4175095199974885
Energy: 0.4656566512578159
Energy: 0.41183133089702423
Energy: 0.5223428898659214
Energy: 0.4048471849931212
Energy: 0.5223428898602259
Energy: 0.41936113580625334
Energy: 0.511768183409841
Energy: 0.40478447246056254
Energy: 0.5117681834024369
Energy: 0.42712410178136256
Energy: 0.5935501337923843
Energy: 0.41257492353750663
Energy: 0.5935501337844107
Energy: 0.42028073853245224
Energy: 0.6308669279236192
Energy: 0.41256982247509427
Energy: 0.6308669279190628
Energy: 0.42023165750732744
Energy: 0.6308049239780629
Energy: 0.4125031781327332
Energy: 0.6308049239712284
Energy: 0.42722259871419466
Energy: 0.593287830949217
Energy: 0.41262669758393805
Energy: 0.5932878309441172
Energy: 0.4194213889481804
Energy: 0.511823350698352
Energy: 0.40483089232729114
Energy: 0.511823350697213
Energy: 0.41178632585316943
Energy: 0.5223081512454086
Energy: 0.40485596034805327
Energy: 0.5223081512442695
Energy: 0.41139881391889627
Energy: 0.465735933640025
Energy: 0.42468834946497247
Energy: 0.4657359336360384
Energy: 0.5251694265344518
Energy: 0.5225309842514502
Energy: 0.4125565869348571
Energy: 0.5225309842497415
Energy: 0.4259984070253635
Energy: 0.5063467581993155
Energy: 0.4326966185725444
Energy: 0.5063467582004546
Energy: 0.5170708670043547
Energy: 0.5413083571291634
Energy: 0.41038998433018625
Energy: 0.5413083571354284
Energy: 0.4112398271302159
Energy: 0.5210028258383913
Energy: 0.4177446027784846
Energy: 0.5210028258497562
Energy: 0.4840454085879339
Energy: 0.5731068406582583
Energy: 0.40631003710949276
Energy: 0.5731068406582583
Energy: 0.4116032149342411
Energy: 0.5710056127101942
Energy: 0.5209915395223986
Energy: 0.5710056127039292
Energy: 0.4142066379724338
Energy: 0.528089975337171
Energy: 0.41412405873094216
Energy: 0.528089975344549
Energy: 0.4107618737554553
Energy: 0.6098751551303383
Energy: 0.5684598152715329
Energy: 0.6098751551263516
Energy: 0.41320964282584133
Energy: 0.505406070570003
Energy: 0.41401117716846375
Energy: 0.505406070570003
Energy: 0.41118747580525833
Energy: 0.5703834426572097
Energy: 0.453191889637658
Energy: 0.5703834426606269
Energy: 0.4081475315778775
Energy: 0.5625325507763232
Energy: 0.4060639560692719
Energy: 0.5625325507643888

minimum gb energy = 0.40478447246056254 eV
minimum distance =  2.511700212194 Angstroms
sigma value = 37


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

Energy: 0.3832077547910189
Energy: 0.38350912766183687
Energy: 0.7946030780704914
Energy: 0.38350912766281675
Energy: 0.5637661354454624
Energy: 0.5123564670552281
Energy: 0.38254257968534133
Energy: 0.5123564670542482
Energy: 0.3763329821881343
Energy: 0.6115972471054189
Energy: 0.5787270878184028
Energy: 0.6115972471054189
Energy: 0.3767786843104186
Energy: 0.47504300876432154
Energy: 0.38226962377119733
Energy: 0.47504300876432154
Energy: 0.38131815586271356
Energy: 0.46852558167870634
Energy: 0.4599699506313715
Energy: 0.4685255816796862
Energy: 0.3877103199154568
Energy: 0.5124413896097395
Energy: 0.3780387363946327
Energy: 0.5124413896097395
Energy: 0.38206741565470825
Energy: 0.6406566023149324
Energy: 0.46537735019578996
Energy: 0.6406566023149324
Energy: 0.3814099330872161
Energy: 0.3836588524264655
Energy: 0.3851005379002199
Energy: 0.3836588524264655
Energy: 0.3812937258864388
Energy: 0.5122941014715034
Energy: 0.5204695653055829
Energy: 0.5122941014715034
Energy: 0.5470203926774906
Energy: 0.5634776484208851
Energy: 0.3780199015551366
Energy: 0.563477648421865
Energy: 0.38255408625772486
Energy: 0.6360874072343652
Energy: 0.37646361842775455
Energy: 0.6360874072343652
Energy: 0.48293462159327516
Energy: 0.38336160339351205
Energy: 0.3822686587228262
Energy: 0.3833616033925322
Energy: 0.376302594132623
Energy: 0.5122648823808361
Energy: 0.40157140895987137
Energy: 0.5122648823808361
Energy: 0.46552745025258313
Energy: 0.5646811501957782
Energy: 0.381345409926065
Energy: 0.5646811501957782
Energy: 0.38337884366729647
Energy: 0.39943289043012153
Energy: 0.3813956712027168
Energy: 0.39943289042914165
Energy: 0.38366395378876655
Energy: 0.5122112298603854
Energy: 0.38229028653274805
Energy: 0.5122112298594055
Energy: 0.376339179960669
Energy: 0.47598726557161714
Energy: 0.3974740262866387
Energy: 0.475987265572597
Energy: 0.3765244469915035
Energy: 0.6366929838976068
Energy: 0.38134563486220413
Energy: 0.6366929838976068
Energy: 0.38245703268302667
Energy: 0.4681425334290896
Energy: 0.38139414593793375
Energy: 0.4681425334290896
Energy: 0.38148100963526566
Energy: 0.5122942341046809
Energy: 0.3764860814570139
Energy: 0.5122942341046809

minimum gb energy = 0.376302594132623 eV
minimum distance =  2.55935228363123 Angstroms
sigma value = 25


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

Energy: 0.37066593956948946
Energy: 0.481841656262427
Energy: 0.7773720384130707
Energy: 0.48184165626089664
Energy: 0.48536180225160963
Energy: 0.4844472288335502
Energy: 0.35970272515843954
Energy: 0.4844472288335502
Energy: 0.35508209332982243
Energy: 0.35543488302454657
Energy: 0.5221922213033948
Energy: 0.35543488302531173
Energy: 0.4210177407669757
Energy: 0.48397066827502705
Energy: 0.3588280384499944
Energy: 0.4839706682734968
Energy: 0.35885346162970827
Energy: 0.4841121429472375
Energy: 0.41862284494323093
Energy: 0.4841121429472375
Energy: 0.3553810552568433
Energy: 0.4847968723144053
Energy: 0.35988936495223656
Energy: 0.4847968723151705
Energy: 0.3596731814276927
Energy: 0.4187938064503163
Energy: 0.4203262990360866
Energy: 0.41879380645184655
Energy: 0.36263100575797386
Energy: 0.430439267996377
Energy: 0.3561009214600274
Energy: 0.43043926799714216
Energy: 0.3589737602371468
Energy: 0.4840258388231485
Energy: 0.5110476079274562
Energy: 0.4840258388231485
Energy: 0.3580517333530543
Energy: 0.48417682265564116
Energy: 0.37171657614059184
Energy: 0.4841768226541109
Energy: 0.3601081552759436
Energy: 0.46195962570627197
Energy: 0.48558790810449187
Energy: 0.4619596257055416
Energy: 0.4865906326238142
Energy: 0.4914362644045057
Energy: 0.356083116086346
Energy: 0.4914362644045057
Energy: 0.3587072815375603
Energy: 0.484680290650704
Energy: 0.45886297914432583
Energy: 0.48468029065146917
Energy: 0.4480612549505612
Energy: 0.48554656159976384
Energy: 0.3587334089409817
Energy: 0.48554656160129417
Energy: 0.360343007799701
Energy: 0.4615728486103589
Energy: 0.35503628193154263
Energy: 0.461572848611124
Energy: 0.4378324199262866
Energy: 0.5467555154356484
Energy: 0.35950884028444446
Energy: 0.5467555154333528
Energy: 0.35892955338175314
Energy: 0.4307421432769436
Energy: 0.3694595392022088
Energy: 0.4307421432769436
Energy: 0.42602202266565575
Energy: 0.4856303940466643
Energy: 0.3597156470666051
Energy: 0.4856303940466643
Energy: 0.37439943930280434
Energy: 0.5253518250270323
Energy: 0.3577867927385743
Energy: 0.5253518250285626
Energy: 0.485186784904016
Energy: 0.5484747567576811
Energy: 0.3592539269241819
Energy: 0.5484747567576811
Energy: 0.35894544428571945
Energy: 0.49166771422450634
Energy: 0.3667751982987026
Energy: 0.49166771422374117
Energy: 0.35561138797361147
Energy: 0.4877122389102624
Energy: 0.35977966767189445
Energy: 0.48771223891102744
Energy: 0.3603645137654776
Energy: 0.48696430113529815
Energy: 0.4481845151159841
Energy: 0.48696430113529815
Energy: 0.3549926696092134
Energy: 0.5236367063948706
Energy: 0.358800225545024
Energy: 0.5236367063948706
Energy: 0.3585408140720057
Energy: 0.5461973167768516
Energy: 0.4377169732023032
Energy: 0.5461973167768516
Energy: 0.3584175957543504
Energy: 0.4318241997254395
Energy: 0.35530185792492536
Energy: 0.4318241997223789

minimum gb energy = 0.3549926696092134 eV
minimum distance =  2.52589153796698 Angstroms
sigma value = 41


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

Energy: 0.46924233357032646
Energy: 0.43673379261934026
Energy: 0.7612822796512395
Energy: 0.4367337926162038
Energy: 0.5584008671262704
Energy: 0.4307384881723825
Energy: 0.3350235129776292
Energy: 0.4307384881717552
Energy: 0.3653055242314496
Energy: 0.43234177968419574
Energy: 0.4360750051615748
Energy: 0.43234177968419574
Energy: 0.4619658785337711
Energy: 0.4088561946490597
Energy: 0.33590866657658675
Energy: 0.4088561946509416
Energy: 0.357023076977795
Energy: 0.4372881938330345
Energy: 0.4041180379254544
Energy: 0.4372881938349164
Energy: 0.4061206550185849
Energy: 0.43149885871439914
Energy: 0.33783037413753175
Energy: 0.43149885871439914
Energy: 0.3366489196049888
Energy: 0.4305475734140251
Energy: 0.4006842279379056
Energy: 0.4305475734165343
Energy: 0.3586139703799649
Energy: 0.4094024092241871
Energy: 0.357664105054336
Energy: 0.40940240922481436
Energy: 0.336800633843296
Energy: 0.4974068302760732
Energy: 0.537265808740111
Energy: 0.4974068302785824
Energy: 0.34315049384227997
Energy: 0.4328674853991653
Energy: 0.36587566010356254
Energy: 0.4328674854023018
Energy: 0.3344634695244014
Energy: 0.4307743440833666
Energy: 0.5110859674619792
Energy: 0.4307743440915215
Energy: 0.33603835641877056
Energy: 0.43192031424936256
Energy: 0.43194625149414295
Energy: 0.4319203142562628
Energy: 0.3365918565281832
Energy: 0.49870183801918666
Energy: 0.5289859540903812
Energy: 0.4987018380185594
Energy: 0.4384306612748453
Energy: 0.532730729623603
Energy: 0.3658274291905579
Energy: 0.5327307296223484
Energy: 0.3364545921213324
Energy: 0.40942589087535797
Energy: 0.4613707005288125
Energy: 0.4094258908791218
Energy: 0.4132193205463706
Energy: 0.43365430369463304
Energy: 0.3576072292000612
Energy: 0.4336543036990241
Energy: 0.33943871212203863
Energy: 0.4973741016070043
Energy: 0.46577463225114907
Energy: 0.49737410160763157
Energy: 0.4301767419581491
Energy: 0.4970146377998626
Energy: 0.3377659113540675
Energy: 0.4970146377973533
Energy: 0.35939045547896004
Energy: 0.40948132238611124
Energy: 0.35868773282626026
Energy: 0.40948132238611124
Energy: 0.4174112111437514
Energy: 0.4339644555117513
Energy: 0.337544961603395
Energy: 0.4339644555086148
Energy: 0.36751094844792254
Energy: 0.49867500605878107
Energy: 0.3682095046571174
Energy: 0.4986750060650255
Energy: 0.516202230990256
Energy: 0.5532762822030777
Energy: 0.33499131739527205
Energy: 0.5532762821993139
Energy: 0.4705317713702517
Energy: 0.43699933807501173
Energy: 0.3361221763382511
Energy: 0.4369993380624658
Energy: 0.4660934055395931
Energy: 0.4979487898491707
Energy: 0.33759454421991214
Energy: 0.49794878984854335
Energy: 0.36752652479425063
Energy: 0.5323826138011519
Energy: 0.34354527168103327
Energy: 0.5323826137980154
Energy: 0.4614278270716363
Energy: 0.543502020137102
Energy: 0.3381147067133495
Energy: 0.5435020201471388
Energy: 0.3592978727260177
Energy: 0.43422528807479555
Energy: 0.41332183183855525
Energy: 0.43422528807605015
Energy: 0.3579939622489386
Energy: 0.4978837394653417
Energy: 0.3408594935313493
Energy: 0.49788373946283254
Energy: 0.3394281956651331
Energy: 0.48729094224238545
Energy: 0.42996950261638556
Energy: 0.4872909422492857
Energy: 0.3581091410572802
Energy: 0.5102470600012206
Energy: 0.36207022298854674
Energy: 0.5102470599974568
Energy: 0.33650134372549817
Energy: 0.4341731155692696
Energy: 0.417374032286834
Energy: 0.4341731155655058
Energy: 0.3357324291280487
Energy: 0.49867558466580675
Energy: 0.3701246645036645
Energy: 0.49867558466392486

minimum gb energy = 0.3344634695244014 eV
minimum distance =  2.51454242177003 Angstroms
sigma value = 15


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

Energy: 0.39816103777449136
Energy: 0.5081231628300343
Energy: 0.7599807336615926
Energy: 0.5081231628300343
Energy: 0.5259253943767503
Energy: 0.45359879982031576
Energy: 0.3184659206423021
Energy: 0.4535987998181901
Energy: 0.3254958108335117
Energy: 0.3927052851764231
Energy: 0.37117612381986825
Energy: 0.3927052851764231
Energy: 0.5157381497584014
Energy: 0.45463318320346224
Energy: 0.3184312178883469
Energy: 0.4546331832018681
Energy: 0.31664594241236965
Energy: 0.5299025239259532
Energy: 0.3574394917390866
Energy: 0.5299025239238276
Energy: 0.3922706035016304
Energy: 0.45517969946980597
Energy: 0.318384367152698
Energy: 0.45517969947033743
Energy: 0.3179921013883926
Energy: 0.39658342777683897
Energy: 0.3505306260608132
Energy: 0.39658342777577615
Energy: 0.3556271253855953
Energy: 0.3965331667567838
Energy: 0.31841718652363515
Energy: 0.39653316675572103
Energy: 0.3196194535120196
Energy: 0.5116050190375279
Energy: 0.43948328220364086
Energy: 0.5116050190375279
Energy: 0.31476294884248257
Energy: 0.4559534422962068
Energy: 0.31695898541251605
Energy: 0.4559534422967383
Energy: 0.3180198124762623
Energy: 0.3956026627530723
Energy: 0.4485453807820935
Energy: 0.3956026627520095
Energy: 0.36566112351929614
Energy: 0.3928270742370997
Energy: 0.32583800421811193
Energy: 0.3928270742376311
Energy: 0.3196030631564436
Energy: 0.5106382507935827
Energy: 0.5001216261624252
Energy: 0.5106382507946455
Energy: 0.31664170845489964
Energy: 0.5068100622056532
Energy: 0.39853795640397927
Energy: 0.5068100622061845
Energy: 0.3179678558062784
Energy: 0.4537707408421389
Energy: 0.49333632193977717
Energy: 0.4537707408400133
Energy: 0.4042366814796985
Energy: 0.39307170818080983
Energy: 0.32595563001682337
Energy: 0.39307170818080983
Energy: 0.3194482297962296
Energy: 0.5108845415743424
Energy: 0.46646906942988353
Energy: 0.5108845415754051
Energy: 0.38341275212784065
Energy: 0.5291207656084232
Energy: 0.3168890119942007
Energy: 0.5291207656089547
Energy: 0.3180130736773313
Energy: 0.45509304131487244
Energy: 0.3923931555684289
Energy: 0.45509304131593525
Energy: 0.37811125255885525
Energy: 0.39382381685397805
Energy: 0.31831701073151586
Energy: 0.3938238168529153
Energy: 0.3195399571548254
Energy: 0.4625939238171018
Energy: 0.3769530895951646
Energy: 0.4625939238165703
Energy: 0.36730238953381167
Energy: 0.4600507329955292
Energy: 0.3214484665430781
Energy: 0.4600507329918094
Energy: 0.31811489094070333
Energy: 0.4551187540297079
Energy: 0.3147922682122922
Energy: 0.4551187540270509
Energy: 0.4483806241063345
Energy: 0.39581501045444883
Energy: 0.3183782467675728
Energy: 0.3958150104459462
Energy: 0.32700564678729643
Energy: 0.4629603789245041
Energy: 0.3211181631741932
Energy: 0.4629603789250355
Energy: 0.44476937573789943
Energy: 0.5097611966475261
Energy: 0.32148123387184635
Energy: 0.5097611966464634
Energy: 0.39970298174868407
Energy: 0.5056428451546885
Energy: 0.3166498051443554
Energy: 0.5056428451546885
Energy: 0.4913610321501981
Energy: 0.45466830273095915
Energy: 0.3184917923399693
Energy: 0.45466830273202197
Energy: 0.3269719172374943
Energy: 0.5363599418809122
Energy: 0.3211057188128751
Energy: 0.5363599418809122
Energy: 0.39343240151528164
Energy: 0.5104403135697241
Energy: 0.32133800329216616
Energy: 0.5104403135707869
Energy: 0.3179503625223408
Energy: 0.46029957352594203
Energy: 0.3845011036123259
Energy: 0.46029957352700485
Energy: 0.3926833667070403
Energy: 0.45451373352112
Energy: 0.31840242276540714
Energy: 0.45451373352112
Energy: 0.31953834229379674
Energy: 0.5157538601037948
Energy: 0.3784319492605432
Energy: 0.5157538601022005
Energy: 0.3131757174473056
Energy: 0.4630570227213226
Energy: 0.32143242262786337
Energy: 0.4630570227223854
Energy: 0.31580349894370324
Energy: 0.459772926960084
Energy: 0.3671829994438051
Energy: 0.4597729269568956
Energy: 0.3147835096404261
Energy: 0.4548832443999288
Energy: 0.31986221161857886
Energy: 0.4548832443999288
Energy: 0.31956147690553915
Energy: 0.5161053914625371
Energy: 0.44844348612460905
Energy: 0.5161053914620056

minimum gb energy = 0.3131757174473056 eV
minimum distance =  2.61086409322864 Angstroms
sigma value = 85


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

Energy: 0.3709106603711942
Energy: 0.4751194412079566
Energy: 0.7575076659290184
Energy: 0.47511944120749566
Energy: 0.5081098390968605
Energy: 0.3595832198807103
Energy: 0.29047919330938166
Energy: 0.3595832198793276
Energy: 0.3578543579109958
Energy: 0.35819951706605574
Energy: 0.3333916627456639
Energy: 0.3581995170669776
Energy: 0.501413623867184
Energy: 0.3597663931140571
Energy: 0.2904918440759079
Energy: 0.35976639311359626
Energy: 0.29936438532452725
Energy: 0.3517246709953071
Energy: 0.35763567066496904
Energy: 0.3517246709971506
Energy: 0.39600874121348895
Energy: 0.42246369636987763
Energy: 0.2905359978540311
Energy: 0.42246369637079934
Energy: 0.28868284580845993
Energy: 0.36452401073232665
Energy: 0.3472316142059446
Energy: 0.36452401073186574
Energy: 0.3529107972357887
Energy: 0.35961579579322556
Energy: 0.29053358347457636
Energy: 0.3596157958088959
Energy: 0.2900505302743702
Energy: 0.35459335079195714
Energy: 0.39490318175908945
Energy: 0.3545933507914962
Energy: 0.3198898068780961
Energy: 0.36453776672067717
Energy: 0.2890922889655085
Energy: 0.3645377667188545
Energy: 0.2914663066382831
Energy: 0.3600045872464733
Energy: 0.4005469801581945
Energy: 0.3600045872455515
Energy: 0.28826248598905413
Energy: 0.35984286228403933
Energy: 0.2997584314677517
Energy: 0.3598428622794304
Energy: 0.29025519684448436
Energy: 0.3548320083001064
Energy: 0.46295988635729823
Energy: 0.3548320082996455
Energy: 0.3341204066169828
Energy: 0.3582894122085153
Energy: 0.3582988147661963
Energy: 0.358289412209437
Energy: 0.2915440952507479
Energy: 0.35978579852657794
Energy: 0.46713803792838005
Energy: 0.3597857985261171
Energy: 0.2891436147357586
Energy: 0.479535793471627
Energy: 0.3713120144384145
Energy: 0.47953579347254877
Energy: 0.2901778348720646
Energy: 0.35473366265558925
Energy: 0.48096114964363895
Energy: 0.35473366265558925
Energy: 0.36938134942921497
Energy: 0.3583069478885584
Energy: 0.3582753263489278
Energy: 0.3583069478890193
Energy: 0.2915430408473625
Energy: 0.35987311162507357
Energy: 0.43619746488874167
Energy: 0.35987311162599533
Energy: 0.348343905578716
Energy: 0.4961953692631218
Energy: 0.2998097441480129
Energy: 0.49619536926358265
Energy: 0.2902050826163136
Energy: 0.3546186575321701
Energy: 0.4185192794794692
Energy: 0.35461865753263094
Energy: 0.34384010670285675
Energy: 0.3586336900557272
Energy: 0.28917891592740513
Energy: 0.3586336900538836
Energy: 0.2914893468470277
Energy: 0.3595447560529487
Energy: 0.35269881037128925
Energy: 0.35954475607829783
Energy: 0.33339213595245887
Energy: 0.4364825857500257
Energy: 0.2904262051455626
Energy: 0.43648258575186927
Energy: 0.29018816150644483
Energy: 0.3292315457684179
Energy: 0.340233050624634
Energy: 0.3292315457688788
Energy: 0.40009080628758836
Energy: 0.36654614026816046
Energy: 0.29053369393226114
Energy: 0.3665461402690822
Energy: 0.3009079745365145
Energy: 0.3596975344661144
Energy: 0.28822716068549514
Energy: 0.3596975344674971
Energy: 0.3978980762434133
Energy: 0.4295882860460117
Energy: 0.2905822983903842
Energy: 0.429588286027136
Energy: 0.35942301518876885
Energy: 0.35831347433247723
Energy: 0.2964806844863084
Energy: 0.3583134743320163
Energy: 0.46693098787757137
Energy: 0.3595689838627674
Energy: 0.29066879072415025
Energy: 0.359568983860463
Energy: 0.37251172618723083
Energy: 0.3587993554106163
Energy: 0.289107969093073
Energy: 0.3587993554106163
Energy: 0.4425347860467492
Energy: 0.47692821775232136
Energy: 0.29065151723753
Energy: 0.47692821775232136
Energy: 0.3594956638510286
Energy: 0.3582837925604346
Energy: 0.2947348844217987
Energy: 0.3582837925604346
Energy: 0.4361194575920238
Energy: 0.3594823885105154
Energy: 0.29054053098788246
Energy: 0.35948238851233794
Energy: 0.3008721574581321
Energy: 0.4345162961792257
Energy: 0.34783701294908714
Energy: 0.4345162961806084
Energy: 0.35233304532203713
Energy: 0.3645448468830217
Energy: 0.2905877556700267
Energy: 0.3645448468853262
Energy: 0.2902570871848994
Energy: 0.35870527241000644
Energy: 0.3432961877598878
Energy: 0.35870527240770206
Energy: 0.35258816904262325
Energy: 0.3596124051936722
Energy: 0.29155397134231076
Energy: 0.35961240519505494
Energy: 0.2915407843377235
Energy: 0.35902790300196935
Energy: 0.3334986250562501
Energy: 0.3590279030116481
Energy: 0.2849029812019749
Energy: 0.372743758932882
Energy: 0.29197637845837526
Energy: 0.3727437589361082
Energy: 0.2906010193740584
Energy: 0.3669045364580371
Energy: 0.40022992393514867
Energy: 0.366904536458498
Energy: 0.28790996679840064
Energy: 0.3596343928837245
Energy: 0.3025269864836112
Energy: 0.35963439288003735
Energy: 0.29163067836392287
Energy: 0.35903526096537053
Energy: 0.3973740219789013
Energy: 0.35903526094601307

minimum gb energy = 0.2849029812019749 eV
minimum distance =  2.53223005511721 Angstroms
sigma value = 113


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

Energy: 0.011570404827456918
Energy: 0.011951291876145265
Energy: 0.8091364192806394
Energy: 0.011951291875456328
Energy: 0.5685230232290578
Energy: 0.16561492497445113
Energy: 0.1654946421967951
Energy: 0.16561492497514005
Energy: 0.011570404827122294
Energy: 0.011951291875790956
Energy: 0.9853313914358812
Energy: 0.011951291875456328
Energy: 0.5685230232280343
Energy: 0.1656149249740968
Energy: 0.16549464470700295
Energy: 0.16561492497480546
Energy: 0.011570404827122294
Energy: 0.011951291875790956
Energy: 1.1008303728536561
Energy: 0.011951291875456328
Energy: 0.5685230232287233
Energy: 0.16561492497480546
Energy: 0.1654946401177038
Energy: 0.16561492497514005

minimum gb energy = 0.011570404827122294 eV
minimum distance =  2.83848480241203 Angstroms
sigma value = 1