Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Ni__SM_078420412697_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917642831802
cohesive_energy=4.4503499778548585
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.022216976291309594
Energy: 0.5952306030793352
Energy: 1.6565870199617605
Energy: 0.5952307124578475
Energy: 0.022216976291309594
Energy: 0.5952306030793352
Energy: 0.5521482673489528
Energy: 0.5515318977473531
Energy: 0.022360467590012
Energy: 0.3641613912064615
Energy: 0.02237824480913567
Energy: 0.5515318977473531
Energy: 0.022360467590012
Energy: 0.3641613912064615
Energy: 0.022216976291309594
Energy: 0.5952306030793352
Energy: 1.656587019959122
Energy: 0.5952307124578475
Energy: 0.022216976291309594
Energy: 0.5952306030819737
Energy: 0.5521482673463143
Energy: 0.5515318977473531
Energy: 0.022360467590012
Energy: 0.3641613912064615
Energy: 0.02237824480913567
Energy: 0.5515318977473531
Energy: 0.022360467590012
Energy: 0.3641613912064615
Energy: 0.022216976291309594
Energy: 0.5952306030793352
Energy: 0.5521482673489528
Energy: 0.5952307124578475
Energy: 0.022216976291309594
Energy: 0.5952306030793352
Energy: 0.5521482673489528
Energy: 0.5515318977473531
Energy: 0.022360467590012
Energy: 0.3641613912064615
Energy: 0.02237824480913567
Energy: 0.5515318977473531
Energy: 0.022360467590012
Energy: 0.3641613912064615

minimum gb energy = 0.022216976291309594 eV
minimum distance =  2.47083139443238 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.5535485346819973
Energy: 1.5281960158643306
Energy: 1.724279069320363
Energy: 1.5282208177995618
Energy: 1.5535485346884441
Energy: 1.5281960158643306
Energy: 1.7242790693171395
Energy: 1.5296230854473152
Energy: 1.475393492143565
Energy: 1.597507684762144
Energy: 1.5012204813991965
Energy: 1.5296230854537622
Energy: 1.4753934921500118
Energy: 1.597507684755697
Energy: 1.4689223459784033
Energy: 1.478896019579456
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Energy: 1.4822990143089907
Energy: 1.4689223459784033
Energy: 1.478896019579456
Energy: 1.6200421016959596
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Energy: 1.5570449631513155
Energy: 1.6220902215609834
Energy: 1.4710342373633032
Energy: 1.5828973343050912
Energy: 1.557044963141645
Energy: 1.6220902215545365
Energy: 1.4818910600883521
Energy: 1.4498495593189702
Energy: 1.7110567904680463
Energy: 1.5841982897369238
Energy: 1.4818910600819046
Energy: 1.4498495593221936
Energy: 1.7071413678854697
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Energy: 1.7064516557079947
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Energy: 1.4953274891486914
Energy: 1.5258648412872349
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Energy: 1.4742462766335966
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Energy: 1.641917595945026
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Energy: 1.5945266170813208
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Energy: 1.7577968539582989
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Energy: 1.477995174860686
Energy: 1.703400517266625
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Energy: 1.4779951748542393
Energy: 1.7034005172698485
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Energy: 1.4733428308675534
Energy: 1.568365170152957
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Energy: 1.7340095126776482
Energy: 1.4941902232973576
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Energy: 1.6379746042661214
Energy: 1.5117164740902105
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Energy: 1.5785967935576084
Energy: 1.5128816127554578
Energy: 1.6137009372684448
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Energy: 1.4835095100881461
Energy: 1.5938928972051067
Energy: 1.5144181601657511
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Energy: 1.4835095100849223
Energy: 1.5938928972083302
Energy: 1.5148356083893175
Energy: 1.4789227650009884
Energy: 1.5937335187048198
Energy: 1.492107814356613
Energy: 1.5148356083925412
Energy: 1.4789227650009884
Energy: 1.5937335187048198
Energy: 1.595308843635536
Energy: 1.5110672409674513
Energy: 1.6409982523231008
Energy: 1.5238304094622945
Energy: 1.5953088436323124
Energy: 1.5110672409706745
Energy: 1.6409982523231008
Energy: 1.51100259574726
Energy: 1.513484877569792
Energy: 1.5902255475475402
Energy: 1.5514514026297885
Energy: 1.5110025957504833
Energy: 1.5134848775601213
Energy: 1.5902255475507636
Energy: 1.454026181150755
Energy: 1.4915441792951498
Energy: 1.6901375398399918
Energy: 1.5168759178925055
Energy: 1.4540261811475315
Energy: 1.4915441792951498
Energy: 1.6901375398335445
Energy: 1.4748427689565589
Energy: 1.5227109678183535
Energy: 1.6558371397251201
Energy: 1.6132324901511659
Energy: 1.4748427689597825
Energy: 1.5227109678248003
Energy: 1.655837139718673
Energy: 1.4516560352890981
Energy: 1.5676932780975414
Energy: 1.5240438486342907
Energy: 1.4892046940630432
Energy: 1.4516560352923213
Energy: 1.5676932780975414
Energy: 1.5240438486439614

minimum gb energy = 1.4450256875857834 eV
minimum distance =  2.20913711147892 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.5545481292677612
Energy: 1.493523847417919
Energy: 1.676485590126469
Energy: 1.4966683339957458
Energy: 1.5545481292677612
Energy: 1.4935238474215784
Energy: 1.6286971043790606
Energy: 1.448887229937107
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Energy: 1.6480595507356353
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Energy: 1.6833605712472106
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Energy: 1.492498584444896
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Energy: 1.523060714554895
Energy: 1.521659689340173
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Energy: 1.493367659327201
Energy: 1.489994914346518
Energy: 1.5680844729429348
Energy: 1.4658460248524496
Energy: 1.493367659323542
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Energy: 1.5680844729429348
Energy: 1.4545046228116578
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Energy: 1.5923964810369649
Energy: 1.4928624967551578
Energy: 1.5159632102976628
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Energy: 1.859278200281908
Energy: 1.4763982215619182
Energy: 1.5749710422458665
Energy: 1.69753819444466
Energy: 1.5026890097243946
Energy: 1.4763982215619182
Energy: 1.5749710422495253
Energy: 1.6975381944410008
Energy: 1.4637612700202733
Energy: 1.480526585506825
Energy: 1.5607491013924375
Energy: 1.4642998503797937
Energy: 1.4637612700239324
Energy: 1.4805265855031657
Energy: 1.5873107055261932
Energy: 1.5288054707004803
Energy: 1.5433768535693775
Energy: 1.5175986876891425
Energy: 1.4638028696014609
Energy: 1.5288054707041396
Energy: 1.5433768535730366
Energy: 1.5175986876964604
Energy: 1.4922096923991361
Energy: 1.5331621547945564
Energy: 1.6215136936362107
Energy: 1.4647342861919344
Energy: 1.492209692395477
Energy: 1.5331621547908971
Energy: 1.6521545994097622
Energy: 1.4475573662177168
Energy: 1.4678618326491295
Energy: 1.5456305959350571
Energy: 1.5405161597100072
Energy: 1.4475573662213757
Energy: 1.4678618326455368
Energy: 1.5973390624536825
Energy: 1.459792407595036
Energy: 1.4697843136443092
Energy: 1.6732854582371983
Energy: 1.5436452492161588
Energy: 1.459792407595036
Energy: 1.46978431364065
Energy: 1.6915310388771516
Energy: 1.4578101241457788
Energy: 1.493523847417919
Energy: 1.6540458849807782
Energy: 1.4966683339957458
Energy: 1.457810124149438
Energy: 1.4935238474215784
Energy: 1.6833605712508695
Energy: 1.448887229937107
Energy: 1.5702761000338197
Energy: 1.6425696158668848
Energy: 1.4819919848472887
Energy: 1.4488872299407658
Energy: 1.5702761000338197
Energy: 1.6425696158668848

minimum gb energy = 1.4475573662177168 eV
minimum distance =  2.22031161858759 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.6305352709019107
Energy: 1.4956718435076355
Energy: 1.8434834159191753
Energy: 1.4957171809890133
Energy: 1.6305352709002208
Energy: 1.4956718435059453
Energy: 1.768161137227984
Energy: 1.552281634734549
Energy: 1.5432045723176075
Energy: 1.578033019853997
Energy: 1.537032117005066
Energy: 1.5522816347375066
Energy: 1.5432045723159173
Energy: 1.5780330198552643
Energy: 1.5372323619875345
Energy: 1.522064287272996
Energy: 1.626959312992428
Energy: 1.5281059983201004
Energy: 1.5372323619883794
Energy: 1.522064287272996
Energy: 1.6531848007947911
Energy: 1.484541612781253
Energy: 1.4469683710418655
Energy: 1.6741494769681176
Energy: 1.5225581033239919
Energy: 1.4845416127808306
Energy: 1.4469683710405983
Energy: 1.6741494769689624
Energy: 1.547487339881547
Energy: 1.4987379612626697
Energy: 1.6579936931944794
Energy: 1.5121007031366742
Energy: 1.547487339881547
Energy: 1.498737961260557
Energy: 1.6825288559244858
Energy: 1.5233009381110627
Energy: 1.4522006911583372
Energy: 1.6608234528797965
Energy: 1.5382567845064248
Energy: 1.5233009381110627
Energy: 1.452200691157915
Energy: 1.6608234528797965
Energy: 1.5190957570958818
Energy: 1.6493771467636769
Energy: 1.6183036693982846
Energy: 1.4996469287708762
Energy: 1.5190957569746597
Energy: 1.6493771467640992
Energy: 1.6183036693974395
Energy: 1.5081937768463523
Energy: 1.4774848777859033
Energy: 1.708321370385701
Energy: 1.4861844394955572
Energy: 1.5081937768455074
Energy: 1.4774848777833682
Energy: 1.7083213703852784
Energy: 1.474151074482452
Energy: 1.4795036127563033
Energy: 1.6948935543187218
Energy: 1.466355240204905
Energy: 1.474151074485371
Energy: 1.4795036127571486
Energy: 1.7279052203768708
Energy: 1.509967512288361
Energy: 1.5425084555891253
Energy: 1.5252533177520156
Energy: 1.6146970388652246
Energy: 1.5099675122866711
Energy: 1.5425084555895479
Energy: 1.5252533177537055
Energy: 1.564665244935941
Energy: 1.4652347696394952
Energy: 1.6312175525907529
Energy: 1.4624493013812228
Energy: 1.5646652449384761
Energy: 1.4652347696399175
Energy: 1.631217552589908
Energy: 1.5621446437799653
Energy: 1.56649727604966
Energy: 1.6310467575816414
Energy: 1.5027906994945945
Energy: 1.5621446437765851
Energy: 1.56649727604966
Energy: 1.6310467575812189
Energy: 1.5067210061059575
Energy: 1.4565372570340398
Energy: 1.5734941817793247
Energy: 1.451551934810291
Energy: 1.5067210061072251
Energy: 1.4565372570323498
Energy: 1.57349418178017
Energy: 1.4483269102005611
Energy: 1.5249194456419548
Energy: 1.6456549887582228
Energy: 1.5249975373898748
Energy: 1.4483269101997163
Energy: 1.5249194456419548
Energy: 1.6456549887586451
Energy: 1.506660431787406
Energy: 1.4476215533244134
Energy: 1.5736942791699873
Energy: 1.456297546131859
Energy: 1.506660431787406
Energy: 1.4476215533248356
Energy: 1.573694279171255
Energy: 1.5621889285554649
Energy: 1.5027855059391335
Energy: 1.6309064831184297
Energy: 1.5691481424622267
Energy: 1.5621889285541974
Energy: 1.5027855059365982
Energy: 1.6309064831158946
Energy: 1.5674289866717046
Energy: 1.4623759113256865
Energy: 1.6313677446325674
Energy: 1.4652176366913034
Energy: 1.5674289866738174
Energy: 1.4623759113256865
Energy: 1.63136774463299
Energy: 1.5092246853425868
Energy: 1.6180672202580717
Energy: 1.5250646796797418
Energy: 1.542483680896135
Energy: 1.5092246853438542
Energy: 1.6180672202606066
Energy: 1.5250646796801646
Energy: 1.474005781623899
Energy: 1.466201424229232
Energy: 1.6975219677478361
Energy: 1.4796282957117033
Energy: 1.4740057816243213
Energy: 1.466201424227542
Energy: 1.6975219677469913
Energy: 1.508423151375481
Energy: 1.4864316850734867
Energy: 1.7083826556068207
Energy: 1.4776936896009678
Energy: 1.5084231513750588
Energy: 1.486431685073909
Energy: 1.7083826556051305
Energy: 1.5449911081401475
Energy: 1.4996356203678762
Energy: 1.612239896366515
Energy: 1.6492718182027568
Energy: 1.544991108138035
Energy: 1.4996356203678762
Energy: 1.6122398963652471
Energy: 1.5233801409699916
Energy: 1.5382488385214625
Energy: 1.6608347338491103
Energy: 1.4523697793859793
Energy: 1.523380140969569
Energy: 1.5382488385214625
Energy: 1.6608347338503777
Energy: 1.5475753414246578
Energy: 1.511806362763636
Energy: 1.6517090507327383
Energy: 1.4985529341830257
Energy: 1.5475753414259252
Energy: 1.511806362762791
Energy: 1.6517090507352732
Energy: 1.4902749606370518
Energy: 1.522317127156601
Energy: 1.6738749868566916
Energy: 1.4469263898421743
Energy: 1.4902749606357844
Energy: 1.522317127158291
Energy: 1.673874986856269
Energy: 1.537239028295068
Energy: 1.528463323854514
Energy: 1.6858507978357231
Energy: 1.521804197318243
Energy: 1.5372390282946453
Energy: 1.5284633238515566
Energy: 1.6858507978361457
Energy: 1.5522062273300923
Energy: 1.537164871920135
Energy: 1.5783439053540134
Energy: 1.5430884959371827
Energy: 1.5522062273305146
Energy: 1.5371648719184452
Energy: 1.5783439053519008
Energy: 1.6305352709002208
Energy: 1.4956718435055227
Energy: 1.7396607026921453
Energy: 1.4957171809898584
Energy: 1.6305352709002208
Energy: 1.495671843508058
Energy: 1.7396607026929904
Energy: 1.5522816347358164
Energy: 1.5432045723184524
Energy: 1.5780330198544195
Energy: 1.5370321170037986
Energy: 1.5522816347353943
Energy: 1.5432045723167622
Energy: 1.5780330198548418
Energy: 1.5372323619875345
Energy: 1.5220642872725734
Energy: 1.729978828141029
Energy: 1.5281059983213678
Energy: 1.5372323619875345
Energy: 1.5220642872725734
Energy: 1.7299788281401838
Energy: 1.484541612780408
Energy: 1.4469683710405983
Energy: 1.6741494769689624
Energy: 1.522558103323147
Energy: 1.4845416127825206
Energy: 1.4469683710414434
Energy: 1.6741494769672725
Energy: 1.547487339883237
Energy: 1.4987379612618243
Energy: 1.6825288559249083
Energy: 1.5121007031379419
Energy: 1.5474873398790117
Energy: 1.4987379612614018
Energy: 1.682528855925753
Energy: 1.5233009381110627
Energy: 1.4522006911591823
Energy: 1.660823452880219
Energy: 1.5382567845072699
Energy: 1.523300938111485
Energy: 1.452200691157915
Energy: 1.6608234528810644
Energy: 1.5190957524752298
Energy: 1.6493771467636769
Energy: 1.6183036693974395
Energy: 1.4996469287704537
Energy: 1.51909575229912
Energy: 1.649377146763254
Energy: 1.6183036693974395
Energy: 1.5081937768459295
Energy: 1.4774848777846359
Energy: 1.708321370385701
Energy: 1.4861844394959793
Energy: 1.5081937768463523
Energy: 1.4774848777846359
Energy: 1.708321370384011
Energy: 1.474151074483681
Energy: 1.479503612755881
Energy: 1.6972086259490837
Energy: 1.466355240206595
Energy: 1.474151074484526
Energy: 1.4795036127579935
Energy: 1.6972086259507737
Energy: 1.5099675122866711
Energy: 1.5425084555887028
Energy: 1.5252533177528604
Energy: 1.6146970388618447
Energy: 1.5099675122854035
Energy: 1.5425084555878579
Energy: 1.5252533177524377

minimum gb energy = 1.4469263898421743 eV
minimum distance =  2.22255041330602 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.4345441611984164
Energy: 1.445820375245159
Energy: 1.6007590920702548
Energy: 1.445946973684947
Energy: 1.4345441612004108
Energy: 1.4458203752461563
Energy: 1.5109304402746253
Energy: 1.414519970705352
Energy: 1.433371195476655
Energy: 1.495050136038533
Energy: 1.433610284354744
Energy: 1.4145199707073468
Energy: 1.433371195478151
Energy: 1.4950501360400292
Energy: 1.434445115716663
Energy: 1.3696722374164267
Energy: 1.6345516530261257
Energy: 1.3801237515754103
Energy: 1.4344451157136713
Energy: 1.3696722374149308
Energy: 1.6345516530286188
Energy: 1.4265379261394693
Energy: 1.4332304339476534
Energy: 1.4934149180777718
Energy: 1.5185190812802793
Energy: 1.4265379261409652
Energy: 1.4332304339436643
Energy: 1.4934149180762761
Energy: 1.4899056754458169
Energy: 1.399442436009505
Energy: 1.648433916890425
Energy: 1.3796458016937743
Energy: 1.4899056754493072
Energy: 1.3994424360055158
Energy: 1.60375358070147
Energy: 1.4266326474980808
Energy: 1.520856447656688
Energy: 1.5111911803490978
Energy: 1.5512300926773093
Energy: 1.4266326475025688
Energy: 1.5208564476571866
Energy: 1.5111911803481008
Energy: 1.6275299597201092
Energy: 1.399851351080807
Energy: 1.4133689707181665
Energy: 1.3801428174243324
Energy: 1.6275299597240982
Energy: 1.3998513510743245
Energy: 1.3970187880687834
Energy: 1.4132993134574783
Energy: 1.490376371067405
Energy: 1.5104057764709966
Energy: 1.4903471450586778
Energy: 1.413299313457977
Energy: 1.4903763710679034
Energy: 1.5104057764744871
Energy: 1.6274410578255825
Energy: 1.3807390343614383
Energy: 1.642380577541476
Energy: 1.398471364401367
Energy: 1.627441057825084
Energy: 1.3807390343609396
Energy: 1.6423805775399798
Energy: 1.4263604157101433
Energy: 1.5511280710631576
Energy: 1.5112544740549383
Energy: 1.5208264848533966
Energy: 1.4263604157126364
Energy: 1.551128071064155
Energy: 1.5112544740469598
Energy: 1.4895954333619206
Energy: 1.379821347081369
Energy: 1.633328974193387
Energy: 1.3994371772731773
Energy: 1.4895954333639154
Energy: 1.3798213470798728
Energy: 1.5657112181526975
Energy: 1.4266662448779002
Energy: 1.5189013288756745
Energy: 1.4933778651958267
Energy: 1.4331197219425744
Energy: 1.4266662448779002
Energy: 1.5189013288811595
Energy: 1.4933778651968241
Energy: 1.4343813645009804
Energy: 1.3800008740359975
Energy: 1.4658575771066626
Energy: 1.3696883648166769
Energy: 1.4343813645034738
Energy: 1.3800008740350005
Energy: 1.4872321532553097
Energy: 1.4143234521245538
Energy: 1.433307863683322
Energy: 1.4948467514830104
Energy: 1.4333653250084681
Energy: 1.414323452127047
Energy: 1.4333078636818264
Energy: 1.494846751482512
Energy: 1.4345441611979177
Energy: 1.4458203752446606
Energy: 1.6007590920702548
Energy: 1.4459469736859445
Energy: 1.4345441611999121
Energy: 1.4458203752456578
Energy: 1.5756867824749727
Energy: 1.4145199707058507
Energy: 1.433371195476655
Energy: 1.495050136038533
Energy: 1.4336102843542455
Energy: 1.4145199707078453
Energy: 1.433371195478151
Energy: 1.495050136040528
Energy: 1.4344451157161644
Energy: 1.3696722374169255
Energy: 1.6345516530271231
Energy: 1.3801237515754103
Energy: 1.4344451157136713
Energy: 1.3696722374149308
Energy: 1.6345516530291175
Energy: 1.426537926139968
Energy: 1.4332304339471547
Energy: 1.4934149180777718
Energy: 1.518519081280778
Energy: 1.4265379261404667
Energy: 1.4332304339436643
Energy: 1.4934149180762761
Energy: 1.4899056754458169
Energy: 1.3994424360090063
Energy: 1.6037535807034644
Energy: 1.3796458016952702
Energy: 1.4899056754493072
Energy: 1.3994424360055158
Energy: 1.60375358070147
Energy: 1.4266326474980808
Energy: 1.5208564476562345
Energy: 1.5111911803500955
Energy: 1.5512300926778082
Energy: 1.4266326475040645
Energy: 1.5208564476576851
Energy: 1.5111911803476021
Energy: 1.6275299597206077
Energy: 1.3998513510788122
Energy: 1.3970187880707783
Energy: 1.380142817422836
Energy: 1.627529959724597
Energy: 1.3998513510763193
Energy: 1.3970187880692821
Energy: 1.4132993134574783
Energy: 1.490376371067405
Energy: 1.5104057764714955
Energy: 1.4903471450581793
Energy: 1.4132993134584755
Energy: 1.4903763710679034
Energy: 1.5104057764754846
Energy: 1.6274410578255825
Energy: 1.3807390343624357
Energy: 1.5789157772296702
Energy: 1.3984713644003697
Energy: 1.627441057825084
Energy: 1.3807390343614383
Energy: 1.5789157772316647
Energy: 1.4263604157101433
Energy: 1.551128071064155
Energy: 1.511254474053941
Energy: 1.5208264848528983
Energy: 1.4263604157126364
Energy: 1.5511280710636564
Energy: 1.5112544740484561
Energy: 1.4895954333624193
Energy: 1.3798213470828649
Energy: 1.547412928203783
Energy: 1.399437177273676
Energy: 1.489595433363417
Energy: 1.379821347081369
Energy: 1.5474129282012898
Energy: 1.4266662448779002
Energy: 1.5189013288756745
Energy: 1.4933778651953282
Energy: 1.4331197219425744
Energy: 1.4266662448774015
Energy: 1.5189013288806608
Energy: 1.4933778651968241
Energy: 1.4343813645009804
Energy: 1.3800008740364962
Energy: 1.4862643010944965
Energy: 1.3696883648166769
Energy: 1.4343813645039725
Energy: 1.3800008740345018
Energy: 1.4862643010969896
Energy: 1.4143234521245538
Energy: 1.433307863685317
Energy: 1.4948467514830104
Energy: 1.4333653250079694
Energy: 1.414323452127047
Energy: 1.4333078636808287
Energy: 1.4948467514820132
Energy: 1.4345441611984164
Energy: 1.4458203752446606
Energy: 1.510930440278116
Energy: 1.4459469736859445
Energy: 1.4345441611999121
Energy: 1.4458203752461563
Energy: 1.5109304402746253
Energy: 1.414519970705352
Energy: 1.433371195476655
Energy: 1.495050136038533
Energy: 1.4336102843542455
Energy: 1.4145199707073468
Energy: 1.4333711954771537
Energy: 1.4950501360400292

minimum gb energy = 1.3696722374149308 eV
minimum distance =  2.28394002896276 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.541124504047015
Energy: 1.6182178521068862
Energy: 1.5422948580282239
Energy: 1.697637160661302
Energy: 1.5411245040464097
Energy: 1.6182178521074917
Energy: 1.4301550243988401
Energy: 1.471361964481066
Energy: 1.3855097307251831
Energy: 1.5528122199267764
Energy: 1.456924172272917
Energy: 1.4713619644822766
Energy: 1.3855097307239725
Energy: 1.5528122199273817
Energy: 1.4397483636569894
Energy: 1.5386451242916
Energy: 1.4950406786941777
Energy: 1.4738965240249682
Energy: 1.4397483636551736
Energy: 1.5386451242916
Energy: 1.495040678692967
Energy: 1.4271846415711646
Energy: 1.4871817781335641
Energy: 1.617472035326356
Energy: 1.3799336879913366
Energy: 1.4271846415699538
Energy: 1.4871817781317482
Energy: 1.6174720353257506
Energy: 1.4552920872279222
Energy: 1.6413630124949974
Energy: 1.4009330261371924
Energy: 1.4676122213090965
Energy: 1.4552920872279222
Energy: 1.6413630123727754
Energy: 1.4129142425017436
Energy: 1.4540707092588103
Energy: 1.518750165665601
Energy: 1.583100771365727
Energy: 1.4119717325336116
Energy: 1.4540707092594156
Energy: 1.518750165665601
Energy: 1.5831007713663325
Energy: 1.496702810489031
Energy: 1.5882479943264136
Energy: 1.5064318073691882
Energy: 1.429017532570222
Energy: 1.496702810489636
Energy: 1.5882479943264136
Energy: 1.5064318073679777
Energy: 1.451914267168402
Energy: 1.4848594935098653
Energy: 1.604906052771704
Energy: 1.4559618912311334
Energy: 1.4519142671677967
Energy: 1.4848594935086545
Energy: 1.6049060527710988
Energy: 1.4977197114106189
Energy: 1.4143239238122611
Energy: 1.4532107291658296
Energy: 1.5658833562689012
Energy: 1.4977197114112244
Energy: 1.414323923811656
Energy: 1.4532107291646188
Energy: 1.491719170308338
Energy: 1.3542398918929313
Energy: 1.4737098827266477
Energy: 1.5379604743498314
Energy: 1.4917191703089427
Energy: 1.3542398918947476
Energy: 1.4737098827266477
Energy: 1.657158597277599
Energy: 1.446864879099567
Energy: 1.5416942911394536
Energy: 1.447634615449664
Energy: 1.6571585972782046
Energy: 1.4468648791001721
Energy: 1.5411822945874243
Energy: 1.4706590089095686
Energy: 1.454612419506181
Energy: 1.4604939390043392
Energy: 1.49956758928634
Energy: 1.470659008908963
Energy: 1.4546124195049703
Energy: 1.4604939390043392
Energy: 1.6974532076009836
Energy: 1.5420138567047126
Energy: 1.5932338943197546
Energy: 1.4157118012008434
Energy: 1.6974532076009836
Energy: 1.5420138568480932
Energy: 1.5932338943197546
Energy: 1.4120936379115803
Energy: 1.5093772690638299
Energy: 1.451765680461099
Energy: 1.4984414090897828
Energy: 1.412093637909159
Energy: 1.509377269065646
Energy: 1.451765680461099
Energy: 1.6015864556492778
Energy: 1.4816793607173468
Energy: 1.654755351232404
Energy: 1.456642788115781
Energy: 1.6015864561799056
Energy: 1.4816793607173468
Energy: 1.6547553512330095
Energy: 1.3998705112256262
Energy: 1.5991500454248495
Energy: 1.4319397756343715
Energy: 1.4570496379573195
Energy: 1.3998705112250207
Energy: 1.5991500454254544
Energy: 1.4319397756343715
Energy: 1.5314846962752922
Energy: 1.4050057624662273
Energy: 1.5743158133427446
Energy: 1.4476049752687967
Energy: 1.5314846963569568
Energy: 1.4050057624656225
Energy: 1.57431581334335
Energy: 1.318562758023994
Energy: 1.4916265424280415
Energy: 1.402669086901907
Energy: 1.5348775893907995
Energy: 1.318562758023994
Energy: 1.491626542428647
Energy: 1.4026690869013014
Energy: 1.4943864656129635
Energy: 1.3692923333497715
Energy: 1.5277281380675851
Energy: 1.3789000757735916
Energy: 1.494386465611753
Energy: 1.369292333349166
Energy: 1.5277281380675851
Energy: 1.3187283876446665
Energy: 1.468432883416812
Energy: 1.4015865979149107
Energy: 1.5182256815889326
Energy: 1.318728387643456
Energy: 1.4684328834180227
Energy: 1.4015865979161213
Energy: 1.457569664824254
Energy: 1.4081771790068818
Energy: 1.612887776573454
Energy: 1.3890551898636896
Energy: 1.4575696648236487
Energy: 1.408177179005066
Energy: 1.6128877765746643
Energy: 1.3555182563126311
Energy: 1.5382458298237625
Energy: 1.3926773446930651
Energy: 1.434599785186964
Energy: 1.355518256313842
Energy: 1.5382458298255786
Energy: 1.3926773446948537
Energy: 1.6213360270567339
Energy: 1.3853327497779115
Energy: 1.5083268862541326
Energy: 1.4498742785798773
Energy: 1.6213360270561283
Energy: 1.3853327497791221
Energy: 1.508326886254738
Energy: 1.355261503479121
Energy: 1.3938950946975728
Energy: 1.452094939243754
Energy: 1.5592990674022023
Energy: 1.3552615034797262
Energy: 1.3938950946969673
Energy: 1.4520949392443594
Energy: 1.6030964708487816
Energy: 1.3851682524360074
Energy: 1.644810140259463
Energy: 1.6392128078671722
Energy: 1.6030965020736359
Energy: 1.3851682524360074
Energy: 1.6448101402588575

minimum gb energy = 1.318562758023994 eV
minimum distance =  2.21522585194197 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.5960233523212084
Energy: 1.5782471538142893
Energy: 1.6171581158966026
Energy: 1.578830489878781
Energy: 1.59602335231783
Energy: 1.5782471538075942
Energy: 1.5586165630449822
Energy: 1.5908479454819988
Energy: 1.597019424692064
Energy: 1.5531432456356058
Energy: 1.575379471110457
Energy: 1.5908479454819988
Energy: 1.597019424692064
Energy: 1.5531432456322274
Energy: 1.5954805147430084
Energy: 1.5060177773447905
Energy: 1.5658785786502283
Energy: 1.516525441158925
Energy: 1.5954805147430084
Energy: 1.5060177773548642
Energy: 1.5658785786536067
Energy: 1.4319949357216077
Energy: 1.5376621616096382
Energy: 1.6388338345981364
Energy: 1.456208453264012
Energy: 1.4319949357249862
Energy: 1.5376621616062598
Energy: 1.6388338345947582
Energy: 1.5941302983132086
Energy: 1.4539604317171198
Energy: 1.438638384555757
Energy: 1.4195333170682685
Energy: 1.5941302983098302
Energy: 1.4539604317171198
Energy: 1.4821514995907696
Energy: 1.5423431979667697
Energy: 1.5176162240311972
Energy: 1.6715012339867037
Energy: 1.4565990432196325
Energy: 1.5423431979701479
Energy: 1.5176162240345754
Energy: 1.671501233979947
Energy: 1.561403115895868
Energy: 1.4730123960922918
Energy: 1.5080752739928842
Energy: 1.517012918750453
Energy: 1.561403115895868
Energy: 1.4730123960889134
Energy: 1.5080752739861276
Energy: 1.5077310358278397
Energy: 1.5221169169879984
Energy: 1.5590428559636993
Energy: 1.371725765715172
Energy: 1.5077310358278397
Energy: 1.5221169169879984
Energy: 1.5590428559670775
Energy: 1.561451411142579
Energy: 1.47305437412589
Energy: 1.579862724487384
Energy: 1.4052552736909771
Energy: 1.5614514111459572
Energy: 1.47305437412589
Energy: 1.6184642559142777
Energy: 1.4499344855102105
Energy: 1.5368619679709028
Energy: 1.597776555436776
Energy: 1.603406046671177
Energy: 1.4499344855068323
Energy: 1.5368619679776596
Energy: 1.5977765554401544
Energy: 1.5327054649297642
Energy: 1.5528523120675028
Energy: 1.6844661916438306
Energy: 1.4846340305605348
Energy: 1.5327054649297642
Energy: 1.5528523120675028
Energy: 1.6844661916404522
Energy: 1.4504307773281397
Energy: 1.493340378569152
Energy: 1.6999328959103568
Energy: 1.5349824635996954
Energy: 1.4504307773348966
Energy: 1.493340378569152
Energy: 1.6999328959069784
Energy: 1.5467385758787322
Energy: 1.5296932671864407
Energy: 1.6833686171888878
Energy: 1.532083160309928
Energy: 1.5467385758719754
Energy: 1.5296932671864407
Energy: 1.6533034250014746
Energy: 1.5535121814661685
Energy: 1.5951319011777556
Energy: 1.687162972837196
Energy: 1.609004699351386
Energy: 1.5535121814627901
Energy: 1.595131901170999
Energy: 1.6871629728439526
Energy: 1.547186926107664
Energy: 1.4854533887477754
Energy: 1.7027614511945304
Energy: 1.5148032201381498
Energy: 1.5471869261042857
Energy: 1.485453388744397
Energy: 1.7027614511945304
Energy: 1.5535455237740767
Energy: 1.6757869300044748
Energy: 1.7017627849901253
Energy: 1.538055795014626
Energy: 1.5535455237774551
Energy: 1.6757869300078532
Energy: 1.7017627849901253
Energy: 1.547335921919646
Energy: 1.5305094503604029
Energy: 1.5856642470447269
Energy: 1.5299605934556129
Energy: 1.5473359219162677
Energy: 1.5305094503637813
Energy: 1.666029152147094
Energy: 1.4532443534754937
Energy: 1.4996392000012722
Energy: 1.7011945697379565
Energy: 1.5104733778507462
Energy: 1.4532443534754937
Energy: 1.4996391982925632
Energy: 1.7011945697345783
Energy: 1.5189730206155698
Energy: 1.4502939043481113
Energy: 1.6302218142772427
Energy: 1.4821862742943208
Energy: 1.5189730206155698
Energy: 1.450293904344733
Energy: 1.6302218142772427
Energy: 1.4910765262091497
Energy: 1.5503647029674479
Energy: 1.608330861913075
Energy: 1.4766780831211626
Energy: 1.4910765262057715
Energy: 1.5503647029708263
Energy: 1.608330861913075
Energy: 1.4544084269875497
Energy: 1.4772778976168632
Energy: 1.527905794812193
Energy: 1.5262640338065963
Energy: 1.4544084269875497
Energy: 1.4772778976202414
Energy: 1.5279057948088146
Energy: 1.4884556090380465
Energy: 1.5100262539966884
Energy: 1.5372973595081143
Energy: 1.4108902636932703
Energy: 1.4884556090380465
Energy: 1.5100262539966884
Energy: 1.537297359514871
Energy: 1.4799376635160413
Energy: 1.3562333546367982
Energy: 1.7579721009237612
Energy: 1.549162817128964
Energy: 1.4799376635160413
Energy: 1.3562333546300416
Energy: 1.5262460502480573
Energy: 1.505973199485429
Energy: 1.4651319559642366
Energy: 1.609775937659912
Energy: 1.4117302177976403
Energy: 1.505973199485429
Energy: 1.4651319559642366
Energy: 1.609775937659912
Energy: 1.4565138557857087
Energy: 1.4620994638876976
Energy: 1.5716286479335688
Energy: 1.6359920441523244
Energy: 1.4565138557789519
Energy: 1.4620994638876976
Energy: 1.5716286479369472
Energy: 1.501083338501348
Energy: 1.529507902765454
Energy: 1.6020764620727872
Energy: 1.4952048896237973
Energy: 1.5010833384979696
Energy: 1.529507902765454
Energy: 1.6020764620694088
Energy: 1.6212062648437469
Energy: 1.4435070871970725
Energy: 1.5494072305428641
Energy: 1.6730390916366307
Energy: 1.6212062648403684
Energy: 1.4435070872072078
Energy: 1.5494072305394857
Energy: 1.5082564420962492
Energy: 1.6004491150342919
Energy: 1.6009234299658328
Energy: 1.556813006635684
Energy: 1.5082564420928708
Energy: 1.6004491150376703
Energy: 1.6009234299624544
Energy: 1.5743864861856802
Energy: 1.44139923201223
Energy: 1.606011937531501
Energy: 1.6726330096178665
Energy: 1.5743864861789236
Energy: 1.44139923201223
Energy: 1.6060119375281228
Energy: 1.4797414653211522
Energy: 1.56464351608106
Energy: 1.597042569959241
Energy: 1.6011928499335306
Energy: 1.4797414653279088
Energy: 1.56464351608106
Energy: 1.597042569959241
Energy: 1.4952775179793794
Energy: 1.4433814143726407
Energy: 1.6073255107258522
Energy: 1.5763473048190992
Energy: 1.4952775179827578
Energy: 1.4433814143692623
Energy: 1.6073255107292306
Energy: 1.5199401294824464
Energy: 1.4286844787623432
Energy: 1.5271806087600062
Energy: 1.514235711154979
Energy: 1.519940129489203
Energy: 1.4286844787555866
Energy: 1.5271806087566278
Energy: 1.4938863448072413
Energy: 1.4141241737673595
Energy: 1.60348123511278
Energy: 1.5426305615245806
Energy: 1.4938863448038626
Energy: 1.4141241737741164
Energy: 1.6034812351702117
Energy: 1.5070492119475272
Energy: 1.4805999372714012
Energy: 1.5745477422921301
Energy: 1.4406934793714619
Energy: 1.5070492119509054
Energy: 1.4805999372781578
Energy: 1.5745477422651033
Energy: 1.44542946996557
Energy: 1.3870099451588263
Energy: 1.5579585624835552
Energy: 1.534905400754496
Energy: 1.445429469972327
Energy: 1.3870099451520694
Energy: 1.5579585624734202
Energy: 1.5056958244267156
Energy: 1.401680527241935
Energy: 1.514833705088191
Energy: 1.44315204673534
Energy: 1.5056958244233372
Energy: 1.401680527241935
Energy: 1.514833705088191
Energy: 1.46236006405717
Energy: 1.3899558450234601
Energy: 1.5537639386016613
Energy: 1.5573716006920022
Energy: 1.46236006405717
Energy: 1.3899558450200817
Energy: 1.5537639386016613
Energy: 1.4997692876738886
Energy: 1.401507277197623
Energy: 1.531512198879501
Energy: 1.4436045416622674
Energy: 1.4997692876705102
Energy: 1.401507277197623
Energy: 1.5315121988828795
Energy: 1.442330274430977
Energy: 1.4531092733376518
Energy: 1.6959759979268256
Energy: 1.565607566995733
Energy: 1.4423302744377335
Energy: 1.4531092733342736
Energy: 1.6959759979166904
Energy: 1.5006158280283615
Energy: 1.4680943205162664
Energy: 1.555012628566113
Energy: 1.5139391653505718
Energy: 1.5006158280351183
Energy: 1.468094315778588
Energy: 1.5550126285593562
Energy: 1.5364935745281088
Energy: 1.4519413741584315
Energy: 1.729214103003628
Energy: 1.583230118445231
Energy: 1.5364935745213522
Energy: 1.451941374155053
Energy: 1.729214103003628
Energy: 1.5004411379659224
Energy: 1.4934475674952323
Energy: 1.720118023408259
Energy: 1.5912255081687865
Energy: 1.500441137962544
Energy: 1.4934475674952323
Energy: 1.7201180234048807
Energy: 1.6090461125591211
Energy: 1.45037770106924
Energy: 1.6185992693049072
Energy: 1.5989818253264219
Energy: 1.609046112565878
Energy: 1.4503777010726182
Energy: 1.6185992693015288
Energy: 1.5301578565661795
Energy: 1.4582173191981433
Energy: 1.6921890558917083
Energy: 1.5324785331984845
Energy: 1.5301578565661795
Energy: 1.4582173191981433
Energy: 1.6921890558849517
Energy: 1.453765378400498
Energy: 1.4553905185339087
Energy: 1.7126026119864288
Energy: 1.567290017315633
Energy: 1.4537653784038762
Energy: 1.4553905185372868
Energy: 1.7126026119830504

minimum gb energy = 1.3562333546300416 eV
minimum distance =  2.21742112523039 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.558306439280263
Energy: 1.5581234572405658
Energy: 1.2612015020101914
Energy: 1.5581234572398046
Energy: 1.558306439277978
Energy: 1.5581234572398046
Energy: 1.4388702883439546
Energy: 1.5583064392787396
Energy: 1.5581234572390428
Energy: 1.8824729558659736
Energy: 1.558123457238281
Energy: 1.5583064392772161
Energy: 1.5581234572413276
Energy: 1.0462297402436236
Energy: 1.558306439277978
Energy: 1.5581234572405658
Energy: 1.046229858730794
Energy: 1.5581234572398046
Energy: 1.5583064392772161
Energy: 1.5581234572398046
Energy: 1.4902277383492342
Energy: 1.558306439280263
Energy: 1.5581234572398046
Energy: 1.1848990908752453
Energy: 1.5581234572398046
Energy: 1.5583064392772161
Energy: 1.5581234572390428
Energy: 1.437522983580228
Energy: 1.5583064392787396
Energy: 1.5581234572390428
Energy: 1.6122334866183554
Energy: 1.5581234572398046
Energy: 1.5583064392772161
Energy: 1.5581234572405658
Energy: 1.4902277383515192
Energy: 1.558306439277978
Energy: 1.5581234572405658
Energy: 1.0462295728783144
Energy: 1.5581234572390428
Energy: 1.558306439277978
Energy: 1.5581234572413276
Energy: 1.6289395535570306
Energy: 1.558306439280263
Energy: 1.5581234572398046
Energy: 1.046951689832557
Energy: 1.5581234572390428
Energy: 1.5583064392772161
Energy: 1.5581234572398046
Energy: 1.4375229828211675
Energy: 1.5583064392787396
Energy: 1.5581234572390428
Energy: 1.3519394806014189
Energy: 1.5581234572390428
Energy: 1.5583064392772161
Energy: 1.5581234572413276
Energy: 1.6289395535570306
Energy: 1.5583064392787396
Energy: 1.5581234572398046
Energy: 1.0462314851905736
Energy: 1.5581234572405658
Energy: 1.5583064392772161
Energy: 1.5581234572413276
Energy: 1.4902277383271452
Energy: 1.558306439280263
Energy: 1.5581234572390428
Energy: 1.4388702876526502
Energy: 1.5581234572390428
Energy: 1.5583064392772161
Energy: 1.5581234572398046
Energy: 1.4388702875620432
Energy: 1.5583064392787396
Energy: 1.5581234572390428
Energy: 1.491848813878618
Energy: 1.5581234572390428
Energy: 1.5583064392772161
Energy: 1.5581234572405658
Energy: 1.4902277383256222
Energy: 1.5583064392787396
Energy: 1.5581234572405658
Energy: 1.046234444334259
Energy: 1.5581234572398046
Energy: 1.5583064392772161
Energy: 1.5581234572413276
Energy: 1.0462301251923343
Energy: 1.558306439280263
Energy: 1.5581234572405658
Energy: 1.0462297716403137
Energy: 1.5581234572390428
Energy: 1.5583064392772161
Energy: 1.5581234572390428
Energy: 1.0462352074008288
Energy: 1.5583064392787396
Energy: 1.5581234572398046
Energy: 1.0462303556814592
Energy: 1.558123457238281
Energy: 1.5583064392772161
Energy: 1.5581234572413276
Energy: 1.0462404370028333
Energy: 1.558306439277978
Energy: 1.5581234572405658
Energy: 1.0462324377656618
Energy: 1.5581234572398046
Energy: 1.5583064392772161
Energy: 1.5581234572405658
Energy: 1.0462299886869995
Energy: 1.558306439280263
Energy: 1.5581234572398046
Energy: 1.0462302507616106
Energy: 1.5581234572398046
Energy: 1.5583064392772161
Energy: 1.5581234572398046
Energy: 1.0462301369050062
Energy: 1.5583064392787396
Energy: 1.5581234572398046
Energy: 1.0462296381895013
Energy: 1.5581234572390428
Energy: 1.5583064392772161
Energy: 1.5581234572413276
Energy: 1.0462297691651616
Energy: 1.558306439277978
Energy: 1.5581234572398046
Energy: 1.046232956681404
Energy: 1.5581234572398046
Energy: 1.558306439277978
Energy: 1.5581234572405658
Energy: 1.0462295709962435
Energy: 1.558306439280263
Energy: 1.5581234572390428
Energy: 1.0462306907158538
Energy: 1.5581234572405658
Energy: 1.558306439277978
Energy: 1.5581234572398046
Energy: 1.0462384352018377
Energy: 1.5583064392787396
Energy: 1.558123457238281
Energy: 1.0462309684150124
Energy: 1.5581234572390428
Energy: 1.5583064392772161
Energy: 1.5581234572398046
Energy: 1.0462329463094824

minimum gb energy = 1.0462295709962435 eV
minimum distance =  2.36289645593827 Angstroms
sigma value = 23