Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_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=3.521391749382019
cohesive_energy=4.450350014731871
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: 0.02221929748187038
Energy: 0.5949928394591983
Energy: 0.5490467128835407
Energy: 0.594909913251496
Energy: 0.02221929748187038
Energy: 0.5949928394591983
Energy: 0.5490467128835407
Energy: 0.548522648667393
Energy: 0.022363469227274925
Energy: 0.36420387563800927
Energy: 0.022380752523725813
Energy: 0.548522648667393
Energy: 0.022363469227274925
Energy: 0.36420387563800927
Energy: 0.02221929748187038
Energy: 0.5949928394565598
Energy: 0.549046712880902
Energy: 0.594909913251496
Energy: 0.02221929748187038
Energy: 0.5949928394591983
Energy: 0.5490467128835407
Energy: 0.548522648667393
Energy: 0.022363469227274925
Energy: 0.36420387563800927
Energy: 0.022380752523725813
Energy: 0.548522648667393
Energy: 0.022363469227274925
Energy: 0.36420387563800927
Energy: 0.02221929748187038
Energy: 0.5949928394591983
Energy: 0.549046712880902
Energy: 0.594909913251496
Energy: 0.02221929748187038
Energy: 0.5949928394591983
Energy: 0.5490467128835407
Energy: 0.548522648667393
Energy: 0.022363469227274925
Energy: 0.36420387563800927
Energy: 0.022380752523725813
Energy: 0.548522648667393
Energy: 0.022363469229913505
Energy: 0.36420387563800927

minimum gb energy = 0.02221929748187038 eV
minimum distance =  2.47078326813716 Angstroms
sigma value = 5


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

Energy: 1.5451246756044263
Energy: 1.5216915835460794
Energy: 1.6825549921624818
Energy: 1.5215536668088956
Energy: 1.5451246755979793
Energy: 1.5216915835428557
Energy: 1.6825549921624818
Energy: 1.5102952487698376
Energy: 1.4701710688482876
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Energy: 1.494057715720237
Energy: 1.5102952487601669
Energy: 1.470171068851511
Energy: 1.5914385940267464
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Energy: 1.4631074033179965
Energy: 1.4721330647311652
Energy: 1.6197139542705168
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Energy: 1.5178043837564106
Energy: 1.6500534727407852
Energy: 1.4652358842484547
Energy: 1.5530812154865403
Energy: 1.517804383753187
Energy: 1.6500534727407852
Energy: 1.5181392314755493
Energy: 1.4428342811394441
Energy: 1.6499063035422183
Energy: 1.5747376991043063
Energy: 1.5181392314658786
Energy: 1.4428342811426675
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Energy: 1.5970131983711366
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Energy: 1.6119364869599309
Energy: 1.523380060338616
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Energy: 1.5538812438161813
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Energy: 1.4893460840119521
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Energy: 1.46290735456339
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Energy: 1.4699990643061438
Energy: 1.4390472368091607
Energy: 1.7089141709698499
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Energy: 1.5572920067657752
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Energy: 1.5572920067625518
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Energy: 1.5814045436870499
Energy: 1.5469865028378558
Energy: 1.5241645863296143
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Energy: 1.4995041804161817
Energy: 1.477915312658451
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Energy: 1.461236889503061
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Energy: 1.7472848650808672
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Energy: 1.5204723058673604
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Energy: 1.4717690830530268
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Energy: 1.4959600686068644
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Energy: 1.4571599324889175
Energy: 1.492240411714312
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Energy: 1.4694507321678338
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Energy: 1.704009877206036
Energy: 1.4629301463998519
Energy: 1.4888522059758553
Energy: 1.6217382986770008
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Energy: 1.4888522059790787
Energy: 1.6217382986673303
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Energy: 1.5020812710540485
Energy: 1.6311527506052215
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Energy: 1.502081271063719
Energy: 1.631152750601998
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Energy: 1.6043606602919254
Energy: 1.6395911578761895
Energy: 1.5704348633701584
Energy: 1.5056315544111154
Energy: 1.604360660295149
Energy: 1.6395911578761895
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Energy: 1.4778010039148368
Energy: 1.587487527502215
Energy: 1.5084741373133783
Energy: 1.5047067131417722
Energy: 1.4778010039148368
Energy: 1.5874875275054383
Energy: 1.5075273715490907
Energy: 1.471154323480087
Energy: 1.5867317222358814
Energy: 1.485671156139814
Energy: 1.5075273715394204
Energy: 1.471154323480087
Energy: 1.5867317222391049
Energy: 1.5875397146115313
Energy: 1.5056109698772266
Energy: 1.6325484731187057
Energy: 1.523578562702229
Energy: 1.5875397146115313
Energy: 1.5056109698707794
Energy: 1.6325484731187057
Energy: 1.5041989033950283
Energy: 1.5060400014006685
Energy: 1.5000653644460953
Energy: 1.5484775200319862
Energy: 1.5041989033885812
Energy: 1.5060400014006685
Energy: 1.500065364455707
Energy: 1.4480818634162949
Energy: 1.4850924332265105
Energy: 1.6809323018465627
Energy: 1.5102957493120492
Energy: 1.4480818634130712
Energy: 1.4850924332200635
Energy: 1.6809323018433395
Energy: 1.4683297903490997
Energy: 1.516119392219514
Energy: 1.691605738533699
Energy: 1.6219508564350362
Energy: 1.468329790345876
Energy: 1.5161193922162906
Energy: 1.6916057385369225
Energy: 1.4460273179628569
Energy: 1.5585799794758184
Energy: 1.5176681559830343
Energy: 1.5068681765935057
Energy: 1.4460273179660805
Energy: 1.558579979479042
Energy: 1.5176681559830343

minimum gb energy = 1.4390472368091607 eV
minimum distance =  2.19829041070659 Angstroms
sigma value = 401


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

Energy: 1.504192595952648
Energy: 1.489172572422718
Energy: 1.6631177161991846
Energy: 1.4889158573336931
Energy: 1.504192595952648
Energy: 1.489172572422718
Energy: 1.728892683452362
Energy: 1.450102733176643
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Energy: 1.635117871205382
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Energy: 1.5163712847850455
Energy: 1.5037947396838725
Energy: 1.6010980578687228
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Energy: 1.4623448952394227
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Energy: 1.443271982317303
Energy: 1.4621820776519157
Energy: 1.568888156574146
Energy: 1.4905816997958985
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Energy: 1.4621820776555745
Energy: 1.568888156574146
Energy: 1.4371732685183352
Energy: 1.5082913968006346
Energy: 1.8263560158857537
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Energy: 1.8428314087025954
Energy: 1.4379399444810237
Energy: 1.5446548217688238
Energy: 1.7046454039366785
Energy: 1.4953980572971275
Energy: 1.437939944484683
Energy: 1.544654821765165
Energy: 1.7046454039330194
Energy: 1.4503213638715218
Energy: 1.464818516452227
Energy: 1.5254333747173667
Energy: 1.4582374602989894
Energy: 1.4503213638715218
Energy: 1.464818516452227
Energy: 1.5254333747173667
Energy: 1.4882460424035078
Energy: 1.5048286054237892
Energy: 1.5426015090344976
Energy: 1.4635543850564021
Energy: 1.4882460424035078
Energy: 1.5048286054237892
Energy: 1.5549374896297385
Energy: 1.4944189293068324
Energy: 1.5152615394253328
Energy: 1.5310133302477469
Energy: 1.460811896499461
Energy: 1.4944189293068324
Energy: 1.5152615394289919
Energy: 1.531013330251406
Energy: 1.4408251981528166
Energy: 1.4598792903849611
Energy: 1.6276663801945475
Energy: 1.4895931471101598
Energy: 1.4408251981491575
Energy: 1.4598792903849611
Energy: 1.644095755659131
Energy: 1.446949827282547
Energy: 1.4637434595507905
Energy: 1.6544854274764709
Energy: 1.584239120419542
Energy: 1.4469498272788879
Energy: 1.4637434595507905
Energy: 1.6851792079146366
Energy: 1.4513437615395521
Energy: 1.489172572422718
Energy: 1.6459439509921316
Energy: 1.4889158573336931
Energy: 1.451343761535893
Energy: 1.489172572422718
Energy: 1.6459439509921316
Energy: 1.450102733176643
Energy: 1.5604563600995343
Energy: 1.6351178712090408
Energy: 1.5034103171574724
Energy: 1.450102733176643
Energy: 1.5604563600995343
Energy: 1.6351178712090408

minimum gb energy = 1.4371732685146759 eV
minimum distance =  2.22055516602516 Angstroms
sigma value = 311


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

Energy: 1.6116473649306393
Energy: 1.4866501777728545
Energy: 1.7183694477164624
Energy: 1.5086980552137512
Energy: 1.6116473649306393
Energy: 1.486650177772432
Energy: 1.7396950516912923
Energy: 1.5265104437923573
Energy: 1.534180765649411
Energy: 1.5120879868946082
Energy: 1.547344938276864
Energy: 1.526510443793625
Energy: 1.5341807656485664
Energy: 1.5120879868929182
Energy: 1.5318594103637408
Energy: 1.5203309835660876
Energy: 1.6702938725443475
Energy: 1.537495355832094
Energy: 1.5318594103633187
Energy: 1.5203309835690453
Energy: 1.6618187893135004
Energy: 1.4851556072352412
Energy: 1.46508370834418
Energy: 1.713522872303221
Energy: 1.524518623347337
Energy: 1.4851556072369312
Energy: 1.4650837083433352
Energy: 1.7135228723023759
Energy: 1.530811788942239
Energy: 1.496623916345216
Energy: 1.6837118239359026
Energy: 1.5292906861903426
Energy: 1.5308117889435064
Energy: 1.4966239163447936
Energy: 1.6837118239367477
Energy: 1.5183432417066496
Energy: 1.4592120213765567
Energy: 1.6134666415900651
Energy: 1.4974204210852504
Energy: 1.5183432417066496
Energy: 1.4592120213765567
Energy: 1.6134666415896424
Energy: 1.4982566019691803
Energy: 1.620669893299732
Energy: 1.6367210244212622
Energy: 1.5134389970177897
Energy: 1.4982566019683352
Energy: 1.6206698932988872
Energy: 1.6367210244195722
Energy: 1.5097431571326063
Energy: 1.5373013375112865
Energy: 1.6792880352360666
Energy: 1.5173024036537792
Energy: 1.5097431571321838
Energy: 1.5373013375112865
Energy: 1.6792880352356445
Energy: 1.4895117472655193
Energy: 1.4782321366284876
Energy: 1.6443800112420375
Energy: 1.4517494195406162
Energy: 1.4895117472659416
Energy: 1.4782321366284876
Energy: 1.6814513213337263
Energy: 1.5012951769940113
Energy: 1.5405023807873803
Energy: 1.6317256744084685
Energy: 1.573640678925177
Energy: 1.501295176993166
Energy: 1.5405023807878024
Energy: 1.631725674408046
Energy: 1.5845337862639175
Energy: 1.4843539085574449
Energy: 1.6199524654728974
Energy: 1.4703881418906974
Energy: 1.5845337862634947
Energy: 1.4843539085565998
Energy: 1.6199524654745874
Energy: 1.5497868529608076
Energy: 1.5541552707325919
Energy: 1.6258079062842863
Energy: 1.5511999220651729
Energy: 1.5497868529624976
Energy: 1.5541552707309019
Energy: 1.6258079062855537
Energy: 1.4857487691033664
Energy: 1.535212073970072
Energy: 1.6053626489240718
Energy: 1.4586922774628832
Energy: 1.4857487691020987
Energy: 1.5352120739696493
Energy: 1.6053626489232269
Energy: 1.4966842399392615
Energy: 1.5230563518528082
Energy: 1.6366388648945338
Energy: 1.535384230203104
Energy: 1.4966842399401068
Energy: 1.523056351851963
Energy: 1.636638864891999
Energy: 1.5389780822968686
Energy: 1.4577573991286046
Energy: 1.6802126610894021
Energy: 1.5361165626685913
Energy: 1.538978082296446
Energy: 1.4577573991290271
Energy: 1.6802126610910924
Energy: 1.5435001555638306
Energy: 1.5318237965869768
Energy: 1.6430012143244517
Energy: 1.572923124648694
Energy: 1.5435001555617178
Energy: 1.531823796586554
Energy: 1.6430012143248744
Energy: 1.5521503631833997
Energy: 1.448110856850366
Energy: 1.613758992540609
Energy: 1.4907118054445692
Energy: 1.5521503631842446
Energy: 1.448110856851211
Energy: 1.6137589925410314
Energy: 1.513935228057757
Energy: 1.5846186367831416
Energy: 1.5688524823235752
Energy: 1.534517945600067
Energy: 1.513935228058602
Energy: 1.5846186367831416
Energy: 1.5688524823252652
Energy: 1.4726724485043872
Energy: 1.4684990706829166
Energy: 1.7160216164709465
Energy: 1.5205318102893914
Energy: 1.4726724485014293
Energy: 1.468499070683339
Energy: 1.7160216164717916
Energy: 1.501301810278407
Energy: 1.4817900087312825
Energy: 1.6668455629370489
Energy: 1.4877699907838267
Energy: 1.501301810278407
Energy: 1.4817900087308602
Energy: 1.6668455629366263
Energy: 1.5067408606341357
Energy: 1.5228232679033256
Energy: 1.6512802598718304
Energy: 1.5860155492588766
Energy: 1.5067408606332906
Energy: 1.522823267903748
Energy: 1.6512802598739427
Energy: 1.4919664725456392
Energy: 1.5498096333868592
Energy: 1.6843140588082892
Energy: 1.4685117897427207
Energy: 1.4919664725443718
Energy: 1.5498096333864366
Energy: 1.6843140588108243
Energy: 1.579755257244085
Energy: 1.5322573579997536
Energy: 1.7967740165644823
Energy: 1.4930668645604392
Energy: 1.5797552572428175
Energy: 1.532257357998909
Energy: 1.796774016566595
Energy: 1.4950229072009211
Energy: 1.5165519949768214
Energy: 1.6372879644434406
Energy: 1.5302366228710713
Energy: 1.495022907200076
Energy: 1.5165519949772435
Energy: 1.6372879644434406
Energy: 1.5693560711903438
Energy: 1.5199168993094312
Energy: 1.6221570974721435
Energy: 1.4989239331189117
Energy: 1.5693560711924566
Energy: 1.519916899310276
Energy: 1.6221570974729886
Energy: 1.5826998381910466
Energy: 1.5507532179989187
Energy: 1.4909690233286113
Energy: 1.564864104618999
Energy: 1.5826998381918918
Energy: 1.5507532179980736
Energy: 1.4909690233277664
Energy: 1.6142111310447733
Energy: 1.4868369563118522
Energy: 1.7569160027377249
Energy: 1.5102415586661444
Energy: 1.6142111310451959
Energy: 1.4868369563131196
Energy: 1.75691600273857
Energy: 1.5504246229076126
Energy: 1.5308373193427214
Energy: 1.558806908824138
Energy: 1.517582056366492
Energy: 1.5504246229088803
Energy: 1.5308373193427214
Energy: 1.5588069088262508
Energy: 1.5299031234409122
Energy: 1.5203534534291794
Energy: 1.643900007985779
Energy: 1.5249703143758033
Energy: 1.5299031234400668
Energy: 1.5203534534283345
Energy: 1.643900007984089
Energy: 1.485742159350542
Energy: 1.4690517992273375
Energy: 1.7091189510840068
Energy: 1.5287645411978092
Energy: 1.4857421593518092
Energy: 1.4690517992298726
Energy: 1.7091189510852742
Energy: 1.5202598389293325
Energy: 1.496000926512873
Energy: 1.6671726897281098
Energy: 1.536480375878157
Energy: 1.5202598389301774
Energy: 1.4960009265145633
Energy: 1.6671726897276873
Energy: 1.5100319840995473
Energy: 1.483269779241089
Energy: 1.613376728092182
Energy: 1.4987494365628884
Energy: 1.5100319840995473
Energy: 1.483269779241934
Energy: 1.6133767280917592
Energy: 1.4982982090041794
Energy: 1.622108763645134
Energy: 1.6525389760869893
Energy: 1.494138523413978
Energy: 1.498298209005447
Energy: 1.6221087636459788
Energy: 1.6525389760869893
Energy: 1.509752093589563
Energy: 1.5389726802990111
Energy: 1.719786456818764
Energy: 1.5185068024497361
Energy: 1.509752093589563
Energy: 1.5389726802985886
Energy: 1.7197864568183414
Energy: 1.4873471195721903
Energy: 1.4707469620324274
Energy: 1.6442661259283136
Energy: 1.4759034861173297
Energy: 1.4873471195726131
Energy: 1.4707469620315823
Energy: 1.644266125927891
Energy: 1.5002588190336572
Energy: 1.5400228337994943
Energy: 1.6704267070192378
Energy: 1.5730671507880527
Energy: 1.500258819032812
Energy: 1.5400228338003394
Energy: 1.670426707018393

minimum gb energy = 1.448110856850366 eV
minimum distance =  2.21962341870944 Angstroms
sigma value = 39


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

Energy: 1.4303859020448821
Energy: 1.439430183477436
Energy: 1.6452418257202175
Energy: 1.4391216248366765
Energy: 1.4303859020473757
Energy: 1.4394301834809262
Energy: 1.5928079672046416
Energy: 1.4100199092497412
Energy: 1.4272525725022696
Energy: 1.4891752005249812
Energy: 1.4272069038190323
Energy: 1.4100199092462504
Energy: 1.4272525725037652
Energy: 1.48917520052548
Energy: 1.430088330471494
Energy: 1.3648306494649434
Energy: 1.6372167874821861
Energy: 1.3746544178946232
Energy: 1.4300883304694991
Energy: 1.3648306494624503
Energy: 1.6303385318383874
Energy: 1.4215949547197753
Energy: 1.4270256347722021
Energy: 1.4882717050630314
Energy: 1.510479824105985
Energy: 1.4215949547217699
Energy: 1.4270256347687118
Energy: 1.488271705058589
Energy: 1.4834900624264713
Energy: 1.3940459251342514
Energy: 1.6012396490332996
Energy: 1.3739251258844047
Energy: 1.4834900624219836
Energy: 1.394045925133254
Energy: 1.601239649031305
Energy: 1.4224589439518278
Energy: 1.5125402499180103
Energy: 1.5047674878345232
Energy: 1.5439014629596082
Energy: 1.4224589439503317
Energy: 1.5125402499155167
Energy: 1.5047674878355204
Energy: 1.6198692980781655
Energy: 1.3936862738087974
Energy: 1.4057932934780826
Energy: 1.3762248764481622
Energy: 1.6198692980751737
Energy: 1.3936862738078002
Energy: 1.40579329347908
Energy: 1.4088328159688197
Energy: 1.484044534297159
Energy: 1.5042679059649489
Energy: 1.4840356821704324
Energy: 1.4088328159698167
Energy: 1.4840445342941675
Energy: 1.5042679059619568
Energy: 1.619791109468526
Energy: 1.3762507846377845
Energy: 1.6277033640269774
Energy: 1.393405568006943
Energy: 1.6197911094705206
Energy: 1.3762507846352912
Energy: 1.686793567146636
Energy: 1.4217052403230073
Energy: 1.5438333437904177
Energy: 1.5049697040127283
Energy: 1.5124924331367193
Energy: 1.4217052403259993
Energy: 1.54383334379341
Energy: 1.5049697040167174
Energy: 1.4835160398585188
Energy: 1.3743109936805518
Energy: 1.5576155985551412
Energy: 1.3936025338522016
Energy: 1.483516039855527
Energy: 1.374310993680053
Energy: 1.5316244209077516
Energy: 1.421623922847742
Energy: 1.5104295416530624
Energy: 1.4883807592905915
Energy: 1.4270123907034107
Energy: 1.4216239228457475
Energy: 1.5104295416595448
Energy: 1.4883807592900926
Energy: 1.4300711862420334
Energy: 1.3744281509365834
Energy: 1.4810944477955577
Energy: 1.3648463691235377
Energy: 1.4300711862425324
Energy: 1.3744281509385783
Energy: 1.4810944477960564
Energy: 1.410051584312437
Energy: 1.4273223164977336
Energy: 1.4891409067324703
Energy: 1.4272219369374244
Energy: 1.4100515843129358
Energy: 1.427322316501224
Energy: 1.4891409067369585
Energy: 1.4303859020438847
Energy: 1.4394301834789316
Energy: 1.503675913556875
Energy: 1.439121624836178
Energy: 1.4303859020458793
Energy: 1.4394301834769372
Energy: 1.5036759135524325
Energy: 1.4100199092502395
Energy: 1.4272525725017708
Energy: 1.4891752005249812
Energy: 1.4272069038170374
Energy: 1.4100199092467491
Energy: 1.427252572502768
Energy: 1.489175200524483
Energy: 1.430088330471494
Energy: 1.364830649465442
Energy: 1.6227975915233446
Energy: 1.3746544178951219
Energy: 1.4300883304690004
Energy: 1.364830649462949
Energy: 1.6227975915188566
Energy: 1.421594954718778
Energy: 1.4270256347722021
Energy: 1.4882717050630314
Energy: 1.5104798241049877
Energy: 1.4215949547227669
Energy: 1.427025634768213
Energy: 1.4882717050580903
Energy: 1.4834900624244767
Energy: 1.3940459251352488
Energy: 1.5913168718479478
Energy: 1.373925125882909
Energy: 1.4834900624214848
Energy: 1.3940459251337527
Energy: 1.601239649031305
Energy: 1.422458943951329
Energy: 1.5125402499185086
Energy: 1.5047674878345232
Energy: 1.5439014629621015
Energy: 1.4224589439493347
Energy: 1.5125402499160154
Energy: 1.5047674878355204
Energy: 1.6198692980776668
Energy: 1.3936862738102933
Energy: 1.3908333330251996
Energy: 1.3762248764486604
Energy: 1.6198692980751737
Energy: 1.3936862738078002
Energy: 1.402052507506681
Energy: 1.4088328159698167
Energy: 1.484044534297159
Energy: 1.5042679059649489
Energy: 1.4840356821704324
Energy: 1.4088328159703154
Energy: 1.4840445342941675
Energy: 1.5042679059619568
Energy: 1.619791109468526
Energy: 1.376250784638782
Energy: 1.5721954696423472
Energy: 1.3934055680079405
Energy: 1.6197911094695234
Energy: 1.3762507846357899
Energy: 1.6349384529014506
Energy: 1.4217052403259993
Energy: 1.5438333437909164
Energy: 1.5049697040127283
Energy: 1.5124924331362206
Energy: 1.421705240326498
Energy: 1.5438333437929113
Energy: 1.504969704017715
Energy: 1.48351603985802
Energy: 1.3743109936840425
Energy: 1.5440427045841987
Energy: 1.3936025338517026
Energy: 1.483516039855527
Energy: 1.3743109936835438
Energy: 1.5440427045832013
Energy: 1.4216239228472436
Energy: 1.5104295416535614
Energy: 1.4883807592905915
Energy: 1.427012390704408
Energy: 1.4216239228452487
Energy: 1.5104295416595448
Energy: 1.4883807592905915
Energy: 1.430071186241036
Energy: 1.3744281509365834
Energy: 1.481094447795059
Energy: 1.3648463691225403
Energy: 1.4300711862430306
Energy: 1.3744281509390766
Energy: 1.4810944477995465
Energy: 1.4100515843114396
Energy: 1.4273223164977336
Energy: 1.4891409067324703
Energy: 1.4272219369379227
Energy: 1.4100515843114396
Energy: 1.427322316501224
Energy: 1.4891409067359613
Energy: 1.4303859020448821
Energy: 1.4394301834799292
Energy: 1.5036759135578723
Energy: 1.4391216248371752
Energy: 1.4303859020473757
Energy: 1.439430183481425
Energy: 1.5036759135528859
Energy: 1.4100199092502395
Energy: 1.427252572502768
Energy: 1.4891752005249812
Energy: 1.4272069038190323
Energy: 1.4100199092462504
Energy: 1.4272525725032668
Energy: 1.48917520052548

minimum gb energy = 1.3648306494624503 eV
minimum distance =  2.28889490904653 Angstroms
sigma value = 21


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

Energy: 1.4687492047889548
Energy: 1.6187539204522925
Energy: 1.5425195755836074
Energy: 1.6190571542154968
Energy: 1.4687492047895603
Energy: 1.6187539204504764
Energy: 1.5535864159416692
Energy: 1.4821633722419474
Energy: 1.3794455216856245
Energy: 1.5442833526002522
Energy: 1.3807175426281524
Energy: 1.4821633722419474
Energy: 1.3794455216832033
Energy: 1.5442833526002522
Energy: 1.4636009704980983
Energy: 1.4649092493058384
Energy: 1.5191822468339151
Energy: 1.4669049593185957
Energy: 1.4636009704980983
Energy: 1.4649092493082598
Energy: 1.5191822468339151
Energy: 1.5326873204219524
Energy: 1.4793387291553657
Energy: 1.624923376539691
Energy: 1.3609928039085408
Energy: 1.5326873204207418
Energy: 1.4793387291547604
Energy: 1.6249233765402964
Energy: 1.3901802990202998
Energy: 1.5700354293416425
Energy: 1.4802240413322076
Energy: 1.3940139014380675
Energy: 1.3901802990209051
Energy: 1.5700354293404315
Energy: 1.4802240413328125
Energy: 1.5326838743644058
Energy: 1.4534581470381085
Energy: 1.5748066149397113
Energy: 1.3901946086407126
Energy: 1.5326838743625897
Energy: 1.4534581470381085
Energy: 1.5748066149403164
Energy: 1.4887009459391987
Energy: 1.571384488315052
Energy: 1.4425630840841135
Energy: 1.4243841815411231
Energy: 1.4887009459391987
Energy: 1.571384488315052
Energy: 1.4425630840841135
Energy: 1.4453635877498077
Energy: 1.3705230504825916
Energy: 1.5485627784753224
Energy: 1.390564967616204
Energy: 1.445363587750413
Energy: 1.3705230504825916
Energy: 1.5485627784759277
Energy: 1.4878880577803448
Energy: 1.406740117841724
Energy: 1.5503107321383134
Energy: 1.5544637460753163
Energy: 1.4878880577809501
Energy: 1.4067401178423293
Energy: 1.5503107321371028
Energy: 1.4780007298350675
Energy: 1.3471644014281448
Energy: 1.3983362433555522
Energy: 1.4653185670349984
Energy: 1.4780007298320408
Energy: 1.3471644014263287
Energy: 1.3983362433567628
Energy: 1.5086902352954794
Energy: 1.5394540605598708
Energy: 1.5399496094149825
Energy: 1.3953666251418382
Energy: 1.5086902352954794
Energy: 1.5394540605604763
Energy: 1.539949609416193
Energy: 1.4564716561963127
Energy: 1.4476427498269018
Energy: 1.4296176176241162
Energy: 1.46873139796205
Energy: 1.4564716561987339
Energy: 1.4476427498262967
Energy: 1.4296176176241162
Energy: 1.508538267775959
Energy: 1.4965973887705848
Energy: 1.597809777366106
Energy: 1.4790933685207615
Energy: 1.508538267775959
Energy: 1.4965973887724007
Energy: 1.6067054964500296
Energy: 1.4563706586841945
Energy: 1.4478813877282077
Energy: 1.4423670437498843
Energy: 1.5580371345356094
Energy: 1.4563706586860103
Energy: 1.4478813877288133
Energy: 1.4423670437474632
Energy: 1.5596458695370798
Energy: 1.536349578794818
Energy: 1.5653907208717939
Energy: 1.378470846592772
Energy: 1.5596458695370798
Energy: 1.536349578794818
Energy: 1.5653907208730047
Energy: 1.349010870414494
Energy: 1.5518572237819752
Energy: 1.4429561140379124
Energy: 1.393757855159158
Energy: 1.349010870414494
Energy: 1.55185722378137
Energy: 1.4429561140385179
Energy: 1.5208223478241187
Energy: 1.3976095396799273
Energy: 1.4991417254682784
Energy: 1.3785771290784983
Energy: 1.5208223478253293
Energy: 1.3976095396781114
Energy: 1.499141725469489
Energy: 1.3490706361887104
Energy: 1.4275167647133724
Energy: 1.3965212507215623
Energy: 1.5268594560982645
Energy: 1.3490706361887104
Energy: 1.4275167647115563
Energy: 1.3965212507215623
Energy: 1.4608135685163617
Energy: 1.3981648627926695
Energy: 1.6313287234185
Energy: 1.3928861747062964
Energy: 1.4608135685175723
Energy: 1.3981648627932748
Energy: 1.6313287234185
Energy: 1.3115552224759464
Energy: 1.4610627082633343
Energy: 1.3578140923135167
Energy: 1.4610337135056295
Energy: 1.3115552224741305
Energy: 1.461062708262729
Energy: 1.3578140923135167
Energy: 1.4607970242290975
Energy: 1.3932386978917661
Energy: 1.6310361424755164
Energy: 1.3982788472998067
Energy: 1.4607970242290975
Energy: 1.3932386978935822
Energy: 1.6310361424718844
Energy: 1.3490969725676176
Energy: 1.5271019885602652
Energy: 1.3965620267003767
Energy: 1.42727323861479
Energy: 1.3490969725694335
Energy: 1.5271019885608705
Energy: 1.3965620266991658
Energy: 1.5208275445584598
Energy: 1.3785003779506941
Energy: 1.4991438208521626
Energy: 1.3972336758396202
Energy: 1.5208275445602482
Energy: 1.3785003779512994
Energy: 1.4991438208515573
Energy: 1.3486599291381596
Energy: 1.3938530869936803
Energy: 1.4426894814975344
Energy: 1.5518083949150847
Energy: 1.3486599291399757
Energy: 1.3938530869918642
Energy: 1.442689481495113
Energy: 1.5595456491932074
Energy: 1.378481597997645
Energy: 1.6443658539905603
Energy: 1.4997891082801036
Energy: 1.5595456491950233
Energy: 1.378481597996434
Energy: 1.644365853991771

minimum gb energy = 1.3115552224741305 eV
minimum distance =  2.20725835038915 Angstroms
sigma value = 113


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

Energy: 1.5878214892108382
Energy: 1.5540562229604777
Energy: 1.5994202393023425
Energy: 1.5538807848021414
Energy: 1.5878214892108382
Energy: 1.5540562229672343
Energy: 1.5994202393023425
Energy: 1.5830990053018463
Energy: 1.5889839274597228
Energy: 1.543121004723128
Energy: 1.64783455350549
Energy: 1.5830990053052245
Energy: 1.5889839274664794
Energy: 1.54312100471975
Energy: 1.5873555295165984
Energy: 1.4992977891548143
Energy: 1.560849486904095
Energy: 1.5108196004342167
Energy: 1.58735552951322
Energy: 1.499297789151436
Energy: 1.5608494869074734
Energy: 1.53568416199571
Energy: 1.5477674699624346
Energy: 1.6236535757151644
Energy: 1.4481161612540367
Energy: 1.5356841619990882
Energy: 1.5477674699624346
Energy: 1.6236535757185429
Energy: 1.5863203852893755
Energy: 1.5357240933095044
Energy: 1.5089644296421711
Energy: 1.4136292740985248
Energy: 1.5863203852927537
Energy: 1.5357240933027478
Energy: 1.5089644296421711
Energy: 1.5360162608111
Energy: 1.5106009910634084
Energy: 1.5535786170074741
Energy: 1.449363801036905
Energy: 1.5360162608077217
Energy: 1.5106009910532734
Energy: 1.5535786169973391
Energy: 1.5530160586954096
Energy: 1.4653739425856596
Energy: 1.4661432783481159
Energy: 1.5085077921782313
Energy: 1.5530160586954096
Energy: 1.4653739425822812
Energy: 1.4661432783447375
Energy: 1.5015181819416625
Energy: 1.5230640972109337
Energy: 1.5503597739242867
Energy: 1.4086644762063387
Energy: 1.5015181819382843
Energy: 1.5230640972176903
Energy: 1.5503597739209083
Energy: 1.5529195884103184
Energy: 1.4658050407708871
Energy: 1.5692387291025012
Energy: 1.430203720944774
Energy: 1.5529195884035616
Energy: 1.4658050407810221
Energy: 1.5692387290991228
Energy: 1.5585786629400298
Energy: 1.523369952729819
Energy: 1.6701067588154854
Energy: 1.5455700731870454
Energy: 1.5585786629366516
Energy: 1.5233699527365756
Energy: 1.670106758812107
Energy: 1.5258752520833783
Energy: 1.5449482971074389
Energy: 1.6727052125918547
Energy: 1.494691170938797
Energy: 1.5258752520833783
Energy: 1.5449482971006818
Energy: 1.6316860748942652
Energy: 1.4440060788580227
Energy: 1.4834728269951518
Energy: 1.6869454309895013
Energy: 1.5273967509101192
Energy: 1.4440060788580227
Energy: 1.4834728269951518
Energy: 1.686945430996258
Energy: 1.5393640701212425
Energy: 1.5228429502269436
Energy: 1.6706157540827633
Energy: 1.5592215575722852
Energy: 1.5393640701178644
Energy: 1.5228429502337004
Energy: 1.641129690662903
Energy: 1.542876050719127
Energy: 1.5225147979051536
Energy: 1.694122915601332
Energy: 1.544672730255107
Energy: 1.5428760507124317
Energy: 1.5225147979051536
Energy: 1.6941229155979536
Energy: 1.5388101453458305
Energy: 1.481845157977245
Energy: 1.6900653489417141
Energy: 1.5065612991342665
Energy: 1.538810145349209
Energy: 1.481845157977245
Energy: 1.6900653489417141
Energy: 1.543241953580058
Energy: 1.5591457307290086
Energy: 1.6884030984983247
Energy: 1.52814736891813
Energy: 1.543241953580058
Energy: 1.5591457307290086
Energy: 1.6884030985017031
Energy: 1.538112124451844
Energy: 1.5235084957486258
Energy: 1.655232961505429
Energy: 1.5205688833293347
Energy: 1.5381121244552227
Energy: 1.5235084957486258
Energy: 1.6552329615088075
Energy: 1.4464314619199097
Energy: 1.488394240941063
Energy: 1.6893451465159253
Energy: 1.5025674089808603
Energy: 1.4464314619131529
Energy: 1.488394240941063
Energy: 1.6893451465193037
Energy: 1.5117816471659844
Energy: 1.535084791316328
Energy: 1.619228119621905
Energy: 1.51011248553483
Energy: 1.5117816471659844
Energy: 1.535084791316328
Energy: 1.6192281196151483
Energy: 1.4833287651584386
Energy: 1.5218357844184782
Energy: 1.5991166991215082
Energy: 1.4508621685628735
Energy: 1.4833287651550604
Energy: 1.5218357844184782
Energy: 1.599116699128265
Energy: 1.4476129340895376
Energy: 1.4699569166909132
Energy: 1.5181175850005402
Energy: 1.5166257566052532
Energy: 1.4476129340895376
Energy: 1.4699569166942914
Energy: 1.5181175850039184
Energy: 1.4760526121399447
Energy: 1.503716771394346
Energy: 1.5288005530404911
Energy: 1.3955859736268428
Energy: 1.4760526121331876
Energy: 1.503716771394346
Energy: 1.5288005530404911
Energy: 1.4728704762162859
Energy: 1.3933260343194258
Energy: 1.5176538667304256
Energy: 1.5403724954536613
Energy: 1.4728704762230425
Energy: 1.3933260343160476
Energy: 1.5176538667338038
Energy: 1.4979091036891363
Energy: 1.4590997105022345
Energy: 1.6017685413357174
Energy: 1.4050645597045142
Energy: 1.4979091036891363
Energy: 1.4590997104988563
Energy: 1.6017685413357174
Energy: 1.4497031086331593
Energy: 1.4540796242112384
Energy: 1.558240422645254
Energy: 1.6260235061833765
Energy: 1.4497031086331593
Energy: 1.4540796242146168
Energy: 1.558240422645254
Energy: 1.494157152139385
Energy: 1.5259564670007906
Energy: 1.593940930083857
Energy: 1.5071636463459896
Energy: 1.4941571521427635
Energy: 1.5259564669940338
Energy: 1.593940930083857
Energy: 1.6039258891535628
Energy: 1.4371066067074998
Energy: 1.541054674031114
Energy: 1.6654517810370584
Energy: 1.6039258891501844
Energy: 1.4371066067108784
Energy: 1.541054674031114
Energy: 1.5028569576378985
Energy: 1.640231171082724
Energy: 1.563724456704473
Energy: 1.5480605602306898
Energy: 1.5028569576378985
Energy: 1.6402311710861022
Energy: 1.563724456704473
Energy: 1.5637601393596132
Energy: 1.4550405437078981
Energy: 1.5952696930857044
Energy: 1.6651440468265712
Energy: 1.5637601393596132
Energy: 1.4550405436943845
Energy: 1.5952696930857044
Energy: 1.5030122298109365
Energy: 1.5571471274051658
Energy: 1.58642151922593
Energy: 1.5448996392302519
Energy: 1.5030122298041801
Energy: 1.5571471274017876
Energy: 1.5864215192225517
Energy: 1.4875568930765728
Energy: 1.4548247802212364
Energy: 1.5875045201776696
Energy: 1.567947570294854
Energy: 1.4875568930799512
Energy: 1.4548247802212364
Energy: 1.5875045201742912
Energy: 1.513415908331609
Energy: 1.4586124301282797
Energy: 1.5177825469447817
Energy: 1.5057003179354655
Energy: 1.5134159083282306
Energy: 1.4586124301282797
Energy: 1.517782546941403
Energy: 1.4946136005492534
Energy: 1.40742918727361
Energy: 1.5257061534724952
Energy: 1.5340521066444106
Energy: 1.4946136005526316
Energy: 1.40742918727361
Energy: 1.5257061534758736
Energy: 1.4826258707056386
Energy: 1.4576500465567248
Energy: 1.5592532026409773
Energy: 1.4369135635585621
Energy: 1.4826258707056386
Energy: 1.4576500465533466
Energy: 1.5592532026409773
Energy: 1.438944130851894
Energy: 1.3808837196909522
Energy: 1.5475926581841604
Energy: 1.53858156018901
Energy: 1.438944130851894
Energy: 1.3808837196943307
Energy: 1.5475926581841604
Energy: 1.482571063617308
Energy: 1.4403645195095256
Energy: 1.50742512881959
Energy: 1.435183320970233
Energy: 1.4825710636105511
Energy: 1.440364519512904
Energy: 1.5074251288229683
Energy: 1.4355990109538241
Energy: 1.3828868106785484
Energy: 1.5442724550549198
Energy: 1.5484408790928577
Energy: 1.4355990109572023
Energy: 1.38288681067517
Energy: 1.5442724550616151
Energy: 1.4920740033951143
Energy: 1.3937978914187032
Energy: 1.5801756572132197
Energy: 1.4351594076107461
Energy: 1.4920740033984925
Energy: 1.3937978914153248
Energy: 1.5801756572132197
Energy: 1.436006278099262
Energy: 1.4447656965605518
Energy: 1.6835512436493423
Energy: 1.555602985969955
Energy: 1.4360062781026404
Energy: 1.4447656965605518
Energy: 1.6835512436493423
Energy: 1.4937195430203716
Energy: 1.4606996764312028
Energy: 1.544911728289841
Energy: 1.5063979844760405
Energy: 1.4937195430169934
Energy: 1.4606996764312028
Energy: 1.544911728289841
Energy: 1.5685613571526213
Energy: 1.444197166003486
Energy: 1.717415603861686
Energy: 1.5683894940486105
Energy: 1.568561357149243
Energy: 1.4441971660102426
Energy: 1.717415603865064
Energy: 1.4935626139034703
Energy: 1.4779341942742514
Energy: 1.707722731920178
Energy: 1.5820045101116698
Energy: 1.493562613910227
Energy: 1.477934194270873
Energy: 1.7077227319134214
Energy: 1.6015407899768315
Energy: 1.4426554763387516
Energy: 1.6927841273849225
Energy: 1.586140444940002
Energy: 1.6015407899768315
Energy: 1.44265547634213
Energy: 1.6927841273849225
Energy: 1.522226803861379
Energy: 1.451350986701696
Energy: 1.680337904884173
Energy: 1.5239966578636344
Energy: 1.522226803861379
Energy: 1.4513509867050742
Energy: 1.6803379048807945
Energy: 1.4471018614745725
Energy: 1.4476444245339912
Energy: 1.700693383669676
Energy: 1.5583258025773097
Energy: 1.4471018614711941
Energy: 1.4476444245306128
Energy: 1.7006933836730544

minimum gb energy = 1.3808837196909522 eV
minimum distance =  2.2180318179878 Angstroms
sigma value = 365


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

Energy: 1.5491529773237709
Energy: 1.5490161205032582
Energy: 1.572857162303374
Energy: 1.5490161205024964
Energy: 1.549152977323009
Energy: 1.549016120501735
Energy: 1.4279505609951373
Energy: 1.5491529773252943
Energy: 1.5490161205032582
Energy: 1.1614994036605255
Energy: 1.5490161205024964
Energy: 1.5491529773245327
Energy: 1.5490161205032582
Energy: 1.4793721517263902
Energy: 1.5491529773237709
Energy: 1.5490161205024964
Energy: 1.252959452020366
Energy: 1.5490161205032582
Energy: 1.549152977323009
Energy: 1.5490161205032582
Energy: 1.4793721517340073
Energy: 1.5491529773245327
Energy: 1.5490161205047817
Energy: 1.4151660534440476
Energy: 1.549016120501735
Energy: 1.5491529773237709
Energy: 1.549016120501735
Energy: 1.509192756437746
Energy: 1.5491529773237709
Energy: 1.5490161205047817
Energy: 1.414229040683661
Energy: 1.54901612050402
Energy: 1.549152977323009
Energy: 1.54901612050402
Energy: 1.616970858095722
Energy: 1.5491529773252943
Energy: 1.5490161205024964
Energy: 1.4208408431570112
Energy: 1.5490161205032582
Energy: 1.5491529773245327
Energy: 1.54901612050402
Energy: 1.3432557179343425
Energy: 1.5491529773237709
Energy: 1.54901612050402
Energy: 1.5091927563714789
Energy: 1.5490161205032582
Energy: 1.549152977323009
Energy: 1.5490161205024964
Energy: 1.4986184004499654
Energy: 1.5491529773252943
Energy: 1.5490161205032582
Energy: 1.4793721517028124
Energy: 1.5490161205032582
Energy: 1.5491529773237709
Energy: 1.549016120505543
Energy: 1.4793721516967189
Energy: 1.5491529773237709
Energy: 1.549016120501735
Energy: 1.040097745867335
Energy: 1.54901612050402
Energy: 1.549152977323009
Energy: 1.5490161205032582
Energy: 1.4793721516944338
Energy: 1.5491529773245327
Energy: 1.54901612050402
Energy: 1.4279505607316958
Energy: 1.5490161205024964
Energy: 1.5491529773237709
Energy: 1.5490161205032582
Energy: 1.4279505606768887
Energy: 1.5491529773245327
Energy: 1.5490161205047817
Energy: 1.4825314281197863
Energy: 1.54901612050402
Energy: 1.549152977323009
Energy: 1.54901612050402
Energy: 1.4793721516852936
Energy: 1.5491529773252943
Energy: 1.5490161205024964
Energy: 1.0400896230289258
Energy: 1.54901612050402
Energy: 1.5491529773245327
Energy: 1.5490161205032582
Energy: 1.0400783190391514
Energy: 1.5491529773237709
Energy: 1.5490161205032582
Energy: 1.040088399480476
Energy: 1.5490161205024964
Energy: 1.549152977323009
Energy: 1.5490161205024964
Energy: 1.0400889087612724
Energy: 1.5491529773252943
Energy: 1.5490161205032582
Energy: 1.0400953163401707
Energy: 1.5490161205024964
Energy: 1.5491529773245327
Energy: 1.5490161205047817
Energy: 1.0400912090897674
Energy: 1.5491529773237709
Energy: 1.549016120501735
Energy: 1.040094367758382
Energy: 1.5490161205047817
Energy: 1.549152977323009
Energy: 1.5490161205047817
Energy: 1.040100011998849
Energy: 1.5491529773245327
Energy: 1.5490161205024964
Energy: 1.0400984313482
Energy: 1.5490161205024964
Energy: 1.5491529773237709
Energy: 1.549016120501735
Energy: 1.040095565617982
Energy: 1.5491529773237709
Energy: 1.54901612050402
Energy: 1.040086260284091
Energy: 1.5490161205032582
Energy: 1.549152977323009
Energy: 1.54901612050402
Energy: 1.0400947799749667
Energy: 1.5491529773252943
Energy: 1.5490161205032582
Energy: 1.040083415485023
Energy: 1.5490161205032582
Energy: 1.5491529773245327
Energy: 1.5490161205032582
Energy: 1.0400832006630292
Energy: 1.5491529773237709
Energy: 1.5490161205024964
Energy: 1.0400930962004682
Energy: 1.5490161205024964
Energy: 1.549152977323009
Energy: 1.5490161205024964
Energy: 1.0400999629516843
Energy: 1.5491529773252943
Energy: 1.54901612050402
Energy: 1.0400972371369648
Energy: 1.54901612050402
Energy: 1.5491529773237709
Energy: 1.54901612050402
Energy: 1.0400965035735825

minimum gb energy = 1.0400783190391514 eV
minimum distance =  2.36225805387771 Angstroms
sigma value = 23