Model name: model_name=EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.05000014603138
cohesive_energy=3.3602642414071076
mass=26.981538
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: 0.012673522488922376
Energy: 0.23233454126745198
Energy: 0.439303395967622
Energy: 0.23233392121273125
Energy: 0.012673522488922376
Energy: 0.23233454126625058
Energy: 0.16473608469084097
Energy: 0.2745430401991058
Energy: 0.013094985508757904
Energy: 0.11044817998518061
Energy: 0.013014464148115286
Energy: 0.27454304019831244
Energy: 0.01309498550776053
Energy: 0.11044817998597398
Energy: 0.012673522488922376
Energy: 0.23233454126686262
Energy: 0.164736084691249
Energy: 0.23233392121252722
Energy: 0.012673522488922376
Energy: 0.23233454126625058
Energy: 0.16473608469104498
Energy: 0.2745430401991058
Energy: 0.013094985508961913
Energy: 0.11044817998538463
Energy: 0.013014464147911277
Energy: 0.27454304019831244
Energy: 0.01309498550776053
Energy: 0.11044817998597398
Energy: 0.012673522488718367
Energy: 0.23233454126724798
Energy: 0.16473608469104498
Energy: 0.2323339212131166
Energy: 0.012673522488922376
Energy: 0.23233454126604658
Energy: 0.16473608469084097
Energy: 0.2745430401993098
Energy: 0.013094985508757904
Energy: 0.11044817998518061
Energy: 0.013014464148115286
Energy: 0.27454304019831244
Energy: 0.013094985507556521
Energy: 0.11044817998597398

minimum gb energy = 0.012673522488718367 eV
minimum distance =  2.83558781695476 Angstroms
sigma value = 5


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

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Energy: 0.6003056109706288
Energy: 0.6235159561850743
Energy: 0.6026900675765772
Energy: 0.6057889844270413
Energy: 0.6003056109730657
Energy: 0.6235159561875112
Energy: 0.5479177767943224
Energy: 0.5432027851472978
Energy: 0.5860147910271863
Energy: 0.5567449429175332
Energy: 0.5479177767870116
Energy: 0.5432027851497349
Energy: 0.5860147910320601
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Energy: 0.5974450275071392
Energy: 0.5660885872912013
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Energy: 0.5598541271264597
Energy: 0.5974246457882872
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Energy: 0.5665996572097678
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Energy: 0.5974246457882872
Energy: 0.5987503182432009
Energy: 0.5652687400641475
Energy: 0.6234635985022181
Energy: 0.567179764297595
Energy: 0.5987503182432009
Energy: 0.5652687400617105
Energy: 0.6234635984997812
Energy: 0.5677505018167724
Energy: 0.5557756334323152
Energy: 0.6093997743539379
Energy: 0.5622412682673239
Energy: 0.5677505018118985
Energy: 0.5557756334347521
Energy: 0.609399774351501
Energy: 0.5288713736126746
Energy: 0.5460733957107695
Energy: 0.6094820731668152
Energy: 0.5493369793444384
Energy: 0.5288713736078007
Energy: 0.5460733957156435
Energy: 0.6094820731570674
Energy: 0.5383217273670171
Energy: 0.5693287275710732
Energy: 0.6570055577965553
Energy: 0.5750367981552882
Energy: 0.5383217273718911
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Energy: 0.5306016261985014
Energy: 0.5672759563171494
Energy: 0.5942045330402969
Energy: 0.5387244522506575
Energy: 0.5306016262033753
Energy: 0.5672759563098384
Energy: 0.5942045330451264

minimum gb energy = 0.5288713736078007 eV
minimum distance =  2.53470827932133 Angstroms
sigma value = 401


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

Energy: 0.5768321470972307
Energy: 0.5540944404534264
Energy: 0.6534715941238393
Energy: 0.5531223513685526
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Energy: 0.5540944404470892
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Energy: 0.5522712790097446
Energy: 0.5508513994436642
Energy: 0.6340888825713109
Energy: 0.5538334516068404
Energy: 0.5522712790077831
Energy: 0.5508513994417028
Energy: 0.6340888825663317
Energy: 0.53735060867922
Energy: 0.5511910426333142
Energy: 0.5555790104870565
Energy: 0.5526288969432351
Energy: 0.5373506086808797
Energy: 0.5511910426296929
Energy: 0.555579010482379
Energy: 0.5496227013802623
Energy: 0.5726754870138933
Energy: 0.5486583116693797
Energy: 0.552262358709417
Energy: 0.5496227013816202
Energy: 0.57267548701334
Energy: 0.5486583116726991
Energy: 0.5504540828151873
Energy: 0.5870261870828075
Energy: 0.5712185811756607
Energy: 0.5522386515372103
Energy: 0.5504540828201664
Energy: 0.5870261870833607
Energy: 0.5712185811701281
Energy: 0.538420140283181
Energy: 0.5495422909556325
Energy: 0.6054715384391768
Energy: 0.5559149730334952
Energy: 0.5384201402870537
Energy: 0.5495422909569905
Energy: 0.613175897118444
Energy: 0.5474910469419934
Energy: 0.5439474966425877
Energy: 0.6110155540923718
Energy: 0.5534713040862737
Energy: 0.5474910469397802
Energy: 0.543947496638715
Energy: 0.6110155540926737
Energy: 0.5493432977178025
Energy: 0.5540944404542311
Energy: 0.6497609970269692
Energy: 0.5531223513694077
Energy: 0.5493432977252463
Energy: 0.5540944404470892
Energy: 0.649760997025561
Energy: 0.534208720002356
Energy: 0.5921741251639728
Energy: 0.6205304210937723
Energy: 0.5484551312430213
Energy: 0.5342087200078883
Energy: 0.5921741251656327
Energy: 0.6205304210924143

minimum gb energy = 0.5310340529319911 eV
minimum distance =  2.57669461568791 Angstroms
sigma value = 311


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

Energy: 0.5961412139446343
Energy: 0.5426383143938913
Energy: 0.6375167462493371
Energy: 0.5386973133602125
Energy: 0.5961412139423984
Energy: 0.5426383143945301
Energy: 0.6325227559527735
Energy: 0.5883418537454737
Energy: 0.572876056760347
Energy: 0.6074845334551598
Energy: 0.573963168374902
Energy: 0.5883418537441958
Energy: 0.5728760567587501
Energy: 0.6074845334561179
Energy: 0.5529826013043868
Energy: 0.5634567930619322
Energy: 0.6259376875343331
Energy: 0.5482849493397587
Energy: 0.5529826013056645
Energy: 0.563456793060974
Energy: 0.6152177521984208
Energy: 0.5562000694473447
Energy: 0.5475021950088697
Energy: 0.6313008970460425
Energy: 0.5575781624225722
Energy: 0.5562000694457476
Energy: 0.5475021950104668
Energy: 0.6313008970444454
Energy: 0.5584593842136443
Energy: 0.5409013043548625
Energy: 0.620677576718849
Energy: 0.5660097687975431
Energy: 0.5584593842142831
Energy: 0.5409013043564594
Energy: 0.620677576718849
Energy: 0.5502929124536975
Energy: 0.5497219653376182
Energy: 0.6007555550760786
Energy: 0.5618780886282148
Energy: 0.5502929124552944
Energy: 0.5497219653369794
Energy: 0.6007555550748008
Energy: 0.5561448380773517
Energy: 0.5821289028363762
Energy: 0.5832693378953858
Energy: 0.5700317659543235
Energy: 0.5561448380773517
Energy: 0.5821289028357373
Energy: 0.5832693378963442
Energy: 0.555197836179764
Energy: 0.5405269596874063
Energy: 0.6543255038345132
Energy: 0.5416142874130586
Energy: 0.555197836179764
Energy: 0.5405269596877258
Energy: 0.6543255038341939
Energy: 0.5553996302871363
Energy: 0.5459079977920378
Energy: 0.6329244201435483
Energy: 0.5416942534947443
Energy: 0.5553996302893722
Energy: 0.5459079977907602
Energy: 0.6307360507985932
Energy: 0.5481188781105555
Energy: 0.5637171174496002
Energy: 0.6294521510803659
Energy: 0.5805652804860645
Energy: 0.5481188781095973
Energy: 0.5637171174476837
Energy: 0.6294521510803659
Energy: 0.583635720374405
Energy: 0.5711433650236909
Energy: 0.614588788095238
Energy: 0.551752620196159
Energy: 0.5836357203721692
Energy: 0.5711433650243298
Energy: 0.614588788095238
Energy: 0.5540583281517623
Energy: 0.5576066783768028
Energy: 0.605826567205688
Energy: 0.5502849078764545
Energy: 0.5540583281511234
Energy: 0.5576066783768028
Energy: 0.605826567205688
Energy: 0.5582739936011887
Energy: 0.5607288294950714
Energy: 0.6134666214420544
Energy: 0.5516500177875828
Energy: 0.5582739935995916
Energy: 0.5607288294957102
Energy: 0.6134666214430128
Energy: 0.5429911243939384
Energy: 0.560181354797548
Energy: 0.6338114149784676
Energy: 0.5477609790027024
Energy: 0.5429911243939384
Energy: 0.5601813547981868
Energy: 0.6338114149784676
Energy: 0.556470118786664
Energy: 0.5484641182738567
Energy: 0.6302456949999384
Energy: 0.5714650008285839
Energy: 0.556470118786664
Energy: 0.5484641182725789
Energy: 0.6302456949986608
Energy: 0.5498815861770293
Energy: 0.5498088245738798
Energy: 0.5953426310949391
Energy: 0.5540671139011891
Energy: 0.5498815861760711
Energy: 0.5498088245754768
Energy: 0.595342631087912
Energy: 0.5921660341469719
Energy: 0.5515132719442208
Energy: 0.6276183409773731
Energy: 0.5636721346085304
Energy: 0.5921660341466525
Energy: 0.5515132719454985
Energy: 0.6276183409776925
Energy: 0.5651761442266007
Energy: 0.5865145598147312
Energy: 0.6495293469165938
Energy: 0.5703506830539595
Energy: 0.5651761442262813
Energy: 0.586514559813773
Energy: 0.6495293469175522
Energy: 0.5545316112008036
Energy: 0.5613366935280407
Energy: 0.6566440903729422
Energy: 0.5417989180371492
Energy: 0.5545316112017619
Energy: 0.5613366935286795
Energy: 0.656644090371984
Energy: 0.5470273916264269
Energy: 0.5662130559352205
Energy: 0.6538285512978685
Energy: 0.5405020222146505
Energy: 0.5470273916277046
Energy: 0.5662130559361789
Energy: 0.6538285512965909
Energy: 0.5549521521788002
Energy: 0.5546177337398924
Energy: 0.6119513561073398
Energy: 0.5809185163635219
Energy: 0.5549521521791198
Energy: 0.5546177337366982
Energy: 0.6119513561092562
Energy: 0.543815149589016
Energy: 0.56688824166603
Energy: 0.6017234258157986
Energy: 0.5441206347522956
Energy: 0.5438151495883772
Energy: 0.5668882416647524
Energy: 0.6017234258173957
Energy: 0.5845365752595375
Energy: 0.5498138783486693
Energy: 0.5898123779357274
Energy: 0.5406610360046582
Energy: 0.5845365752592182
Energy: 0.5498138783480305
Energy: 0.5901287005869097
Energy: 0.5642719326341268
Energy: 0.561352727708567
Energy: 0.6202448788822141
Energy: 0.5519836470302378
Energy: 0.5642719326338074
Energy: 0.5613527277088864
Energy: 0.6202448788806172
Energy: 0.5500764365517693
Energy: 0.5473732688912927
Energy: 0.5926183126344412
Energy: 0.5544214648689745
Energy: 0.5500764365488944
Energy: 0.5473732688935287
Energy: 0.5832757037617045
Energy: 0.5790776856514946
Energy: 0.5756186517649606
Energy: 0.6303121751327524
Energy: 0.5752373025681434
Energy: 0.5790776856492589
Energy: 0.5756186517665577
Energy: 0.6303121751349884
Energy: 0.5870798415744871
Energy: 0.5377825484534674
Energy: 0.6210260513856305
Energy: 0.5562108008063559
Energy: 0.5870798415732094
Energy: 0.5377825484547452
Energy: 0.6489541358720033
Energy: 0.5885004760354106
Energy: 0.5725509063913409
Energy: 0.6086639279493712
Energy: 0.564354880596724
Energy: 0.5885004760366882
Energy: 0.5725509063903826
Energy: 0.6086639279458576
Energy: 0.5532857350839366
Energy: 0.5597001918248391
Energy: 0.6154634596942045
Energy: 0.5498892762132449
Energy: 0.5532857350829783
Energy: 0.5597001918238809
Energy: 0.6154634596926072
Energy: 0.5598595728780953
Energy: 0.5420365952404668
Energy: 0.6344162962599581
Energy: 0.5508853266096665
Energy: 0.5598595728777759
Energy: 0.542036595239189
Energy: 0.6344162962577221
Energy: 0.5680839245317255
Energy: 0.5421097275641178
Energy: 0.6361299391120845
Energy: 0.5534302737332861
Energy: 0.5680839245323642
Energy: 0.5421097275644372
Energy: 0.6361299391117651
Energy: 0.549503960951789
Energy: 0.5510546486118724
Energy: 0.589169370964636
Energy: 0.5688324849693354
Energy: 0.5495039609527472
Energy: 0.55105464861315
Energy: 0.589169370964636
Energy: 0.5548153137732608
Energy: 0.5794416932349483
Energy: 0.5861800293423592
Energy: 0.5676491262366132
Energy: 0.5548153137745385
Energy: 0.5794416932346289
Energy: 0.5861800293410817
Energy: 0.5475003273483141
Energy: 0.5408969891287818
Energy: 0.6536878970167014
Energy: 0.5454532704778453
Energy: 0.5475003273473559
Energy: 0.5408969891275042
Energy: 0.6536878970167014
Energy: 0.5610742703389946
Energy: 0.5459477670402324
Energy: 0.668026957662629
Energy: 0.5438785450960318
Energy: 0.5610742703386752
Energy: 0.5459477670405518
Energy: 0.611458076909
Energy: 0.5447952437315808
Energy: 0.5663827035652831
Energy: 0.6408836833634114
Energy: 0.5896606257461802
Energy: 0.5447952437283866
Energy: 0.5663827035671996
Energy: 0.6408836833662862

minimum gb energy = 0.5377825484534674 eV
minimum distance =  2.53057252956214 Angstroms
sigma value = 39


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

Energy: 0.524123265522816
Energy: 0.5394413550137257
Energy: 0.5946644068532376
Energy: 0.5394450666068354
Energy: 0.5241232655190805
Energy: 0.5394413550125948
Energy: 0.5946644068536145
Energy: 0.5159677841194382
Energy: 0.5653020070016725
Energy: 0.5396078119445848
Energy: 0.5655863421792414
Energy: 0.5159677841217001
Energy: 0.5653020070031806
Energy: 0.539607811953632
Energy: 0.5237449392275217
Energy: 0.5016038292489582
Energy: 0.5563790204566474
Energy: 0.5280354707469734
Energy: 0.523744939224129
Energy: 0.5016038292489582
Energy: 0.5563790204551397
Energy: 0.5270881139758881
Energy: 0.5670628802661997
Energy: 0.5397255160131237
Energy: 0.5488657319088522
Energy: 0.5270881139687256
Energy: 0.5670628802684614
Energy: 0.5397255160172704
Energy: 0.5689076779494974
Energy: 0.5270287459777506
Energy: 0.526535118469998
Energy: 0.5282384694142346
Energy: 0.5689076779528901
Energy: 0.5270287459702113
Energy: 0.5265351184591
Energy: 0.5270289545330202
Energy: 0.550853120902968
Energy: 0.599119879339597
Energy: 0.5484591888741494
Energy: 0.5270289545311354
Energy: 0.5508531209037218
Energy: 0.5991198793380891
Energy: 0.613207077028438
Energy: 0.5278502024400465
Energy: 0.5715654910529979
Energy: 0.5276403261552516
Energy: 0.6132070770344696
Energy: 0.5278502024419314
Energy: 0.5593754205378185
Energy: 0.5385071949272267
Energy: 0.5337188662662964
Energy: 0.5988470631826185
Energy: 0.533666392288923
Energy: 0.538507194921572
Energy: 0.5337188662700662
Energy: 0.5988470631871422
Energy: 0.6133570263299654
Energy: 0.527662742681911
Energy: 0.5613096494168419
Energy: 0.5278849602178447
Energy: 0.6133570263292114
Energy: 0.5276627426856464
Energy: 0.5613096494130722
Energy: 0.5270361233616289
Energy: 0.5484520777690486
Energy: 0.5993110905218049
Energy: 0.5509430450726484
Energy: 0.5270361233578591
Energy: 0.5484520777637709
Energy: 0.599311090520674
Energy: 0.5689714642190677
Energy: 0.5281129307950575
Energy: 0.5682137476528537
Energy: 0.5272476467190824
Energy: 0.5689714642156749
Energy: 0.528112930787895
Energy: 0.5577787023557099
Energy: 0.5270732432896607
Energy: 0.5488111429773076
Energy: 0.5397840211545436
Energy: 0.565310910524533
Energy: 0.5270732432889066
Energy: 0.5488111429788154
Energy: 0.5397840211571826
Energy: 0.5239008905031701
Energy: 0.5280457261453808
Energy: 0.5648337064267284
Energy: 0.5015592655516763
Energy: 0.5239008904978925
Energy: 0.5280457261427421
Energy: 0.5502214173357607
Energy: 0.5158626004245778
Energy: 0.5654377624784993
Energy: 0.5397540303014372
Energy: 0.5652897199859168
Energy: 0.5158626004260857
Energy: 0.5654377624732216
Energy: 0.5397540303052069
Energy: 0.524123265523947
Energy: 0.5394413550133489
Energy: 0.5946644068543684
Energy: 0.5394450666064585
Energy: 0.5241232655205884
Energy: 0.5394413550122179
Energy: 0.5946644068547455
Energy: 0.5159677841175533
Energy: 0.5653020070024265
Energy: 0.5396078119449618
Energy: 0.5655863421799953
Energy: 0.5159677841201921
Energy: 0.5653020070039344
Energy: 0.5396078119513703
Energy: 0.5237449392271448
Energy: 0.5016038292478273
Energy: 0.5601737477954462
Energy: 0.5280354707465964
Energy: 0.5237449392237521
Energy: 0.5016038292478273
Energy: 0.5563790204566474
Energy: 0.5270881139762651
Energy: 0.5670628802665767
Energy: 0.5397255160146316
Energy: 0.5488657319084752
Energy: 0.5270881139687256
Energy: 0.5670628802695924
Energy: 0.5397255160168933
Energy: 0.5689076779483665
Energy: 0.5270287459773737
Energy: 0.526535118469998
Energy: 0.5282384694146115
Energy: 0.568907677954021
Energy: 0.5270287459709652
Energy: 0.5265351184605735
Energy: 0.5270289545341511
Energy: 0.5508531209014601
Energy: 0.599119879339597
Energy: 0.5484591888756571
Energy: 0.5270289545322663
Energy: 0.5508531209037218
Energy: 0.599119879338843
Energy: 0.613207077028438
Energy: 0.5278502024389156
Energy: 0.5715654910533747
Energy: 0.5276403261533668
Energy: 0.6132070770337158
Energy: 0.5278502024400465
Energy: 0.5539685751013487
Energy: 0.5385071949279805
Energy: 0.5337188662651655
Energy: 0.5988470631841264
Energy: 0.5336663922893
Energy: 0.538507194921949
Energy: 0.5337188662685584
Energy: 0.59884706318865
Energy: 0.6133570263303422
Energy: 0.5276627426826308
Energy: 0.561309649416465
Energy: 0.5278849602174679
Energy: 0.6133570263288344
Energy: 0.5276627426856464
Energy: 0.5613096494123183
Energy: 0.5270361233631368
Energy: 0.5484520777686716
Energy: 0.5993110905233129
Energy: 0.5509430450734023
Energy: 0.5270361233578591
Energy: 0.5484520777667867
Energy: 0.5993110905214281
Energy: 0.5689714642183138
Energy: 0.5281129307954345
Energy: 0.6030089873503958
Energy: 0.5272476467194595
Energy: 0.568971464214544
Energy: 0.5281129307875181
Energy: 0.5493935372339167
Energy: 0.5270732432892836
Energy: 0.5488111429803234
Energy: 0.5397840211571826
Energy: 0.5653109105252869
Energy: 0.5270732432870218
Energy: 0.5488111429810772
Energy: 0.5397840211575594
Energy: 0.5239008905031701
Energy: 0.5280457261442499
Energy: 0.5502214173402844
Energy: 0.5015592655501684
Energy: 0.5239008905001543
Energy: 0.5280457261431191
Energy: 0.5502214173346297
Energy: 0.5158626004242008
Energy: 0.5654377624781223
Energy: 0.5397540303006831
Energy: 0.5652897199847859
Energy: 0.5158626004253317
Energy: 0.5654377624743526
Energy: 0.5397540303055838
Energy: 0.524123265522816
Energy: 0.5394413550141027
Energy: 0.6246036947491953
Energy: 0.5394450666068354
Energy: 0.5241232655190805
Energy: 0.5394413550125948
Energy: 0.5946644068532376
Energy: 0.5159677841190613
Energy: 0.5653020070016725
Energy: 0.5396078119442078
Energy: 0.5655863421792414
Energy: 0.515967784122077
Energy: 0.5653020070035575
Energy: 0.5396078119532551

minimum gb energy = 0.5015592655501684 eV
minimum distance =  2.61143350812403 Angstroms
sigma value = 21


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

Energy: 0.5428401142087235
Energy: 0.6008023586404551
Energy: 0.5765492790688794
Energy: 0.6007339448877502
Energy: 0.5428401142091811
Energy: 0.6008023586413703
Energy: 0.5765492790697946
Energy: 0.5554069948196432
Energy: 0.5269979600672433
Energy: 0.5807445134183344
Energy: 0.5251108939259689
Energy: 0.5554069948196432
Energy: 0.5269979600667858
Energy: 0.5807445134160464
Energy: 0.5456429655195489
Energy: 0.5373044459272127
Energy: 0.5905092382978226
Energy: 0.5483475701749299
Energy: 0.5456429655154512
Energy: 0.537304445928128
Energy: 0.5905092382978226
Energy: 0.5452093750345818
Energy: 0.5259274715156135
Energy: 0.6158020823034444
Energy: 0.5315310130735266
Energy: 0.5452093750327514
Energy: 0.52592747151241
Energy: 0.615802082303902
Energy: 0.5250523993532548
Energy: 0.5597505997105353
Energy: 0.5820130613858366
Energy: 0.5440893183529294
Energy: 0.525052399351882
Energy: 0.5597505997150908
Energy: 0.5820130613821756
Energy: 0.5450994323393822
Energy: 0.5277870123296126
Energy: 0.5560655225889899
Energy: 0.5406321585888924
Energy: 0.5450994323402975
Energy: 0.5277870123319006
Energy: 0.5560655225885323
Energy: 0.5434132095494338
Energy: 0.5589295576476335
Energy: 0.5766499952578418
Energy: 0.5313294059468732
Energy: 0.5434132095521798
Energy: 0.5589295576467183
Energy: 0.5766499952601298
Energy: 0.5459831365282124
Energy: 0.5218622977284035
Energy: 0.5526577304753353
Energy: 0.5418544140769079
Energy: 0.5459831365300429
Energy: 0.521862297727946
Energy: 0.55265773047442
Energy: 0.5434380843266786
Energy: 0.5424087578061922
Energy: 0.5728778920010072
Energy: 0.5469483035458996
Energy: 0.5434380843225599
Energy: 0.542408757808938
Energy: 0.572877891997804
Energy: 0.5605870174273921
Energy: 0.528077201484944
Energy: 0.5507981861018508
Energy: 0.5561805792978771
Energy: 0.5605870174278498
Energy: 0.5280772014840287
Energy: 0.5507981861009356
Energy: 0.5532747581560913
Energy: 0.5636403601435441
Energy: 0.546204841190458
Energy: 0.5317159901774805
Energy: 0.5532747581565489
Energy: 0.5636403601398832
Energy: 0.5462048411922885
Energy: 0.5083859820620603
Energy: 0.5416573038780046
Energy: 0.5532343012458445
Energy: 0.5431984587175341
Energy: 0.5083859820588569
Energy: 0.5416573038784623
Energy: 0.5532343012444716
Energy: 0.5420207954192705
Energy: 0.544601681089855
Energy: 0.5536524696882036
Energy: 0.5269128323036132
Energy: 0.5420207954192705
Energy: 0.5446016810907702
Energy: 0.5536524696868307
Energy: 0.5074201235253789
Energy: 0.5417973722853524
Energy: 0.5563996018186421
Energy: 0.5211094036226465
Energy: 0.5074201235235484
Energy: 0.5417973722844373
Energy: 0.5563996018158963
Energy: 0.5717314769019963
Energy: 0.511565104521226
Energy: 0.5657955528949362
Energy: 0.5320754255326676
Energy: 0.5717314769010812
Energy: 0.5115651045189379
Energy: 0.5657955528944786
Energy: 0.5051202229784097
Energy: 0.5616856449642548
Energy: 0.5604268382452606
Energy: 0.5642416755495767
Energy: 0.5051202229806979
Energy: 0.5616856449628819
Energy: 0.5604268382415996
Energy: 0.5706819054822563
Energy: 0.5406834320829013
Energy: 0.5818938545874275
Energy: 0.5319886102853296
Energy: 0.5706819054827139
Energy: 0.5406834320824435
Energy: 0.5818938545888004
Energy: 0.5051716417356553
Energy: 0.5318434121373382
Energy: 0.5409288915968752
Energy: 0.5468930126768067
Energy: 0.505171641736113
Energy: 0.5318434121377958
Energy: 0.5409288915973327
Energy: 0.5430556891020293
Energy: 0.5406670675423915
Energy: 0.5692482064383367
Energy: 0.5316180813563064
Energy: 0.5430556891006774
Energy: 0.5406670675419337
Energy: 0.5692482064351542
Energy: 0.5054078955240066
Energy: 0.544689092388013
Energy: 0.5392148544811114
Energy: 0.5446745914183531
Energy: 0.5054078955235488
Energy: 0.5446890923889283
Energy: 0.5392148544806538
Energy: 0.543175831801605
Energy: 0.5316231585296245
Energy: 0.5691822875796329
Energy: 0.5407449013483401
Energy: 0.5431758317988592
Energy: 0.5316231585300821
Energy: 0.5691822875805481
Energy: 0.505186476995223
Energy: 0.546875327160729
Energy: 0.544354879300396
Energy: 0.531847193104089
Energy: 0.5051864769943077
Energy: 0.5468753271593562
Energy: 0.5443548792990232
Energy: 0.5710603471545876
Energy: 0.5320009273346535
Energy: 0.5819263375505995
Energy: 0.540526384393987
Energy: 0.5710603471568757
Energy: 0.5320009273341959
Energy: 0.5819263375524301
Energy: 0.5050717889227745
Energy: 0.5643428885392718
Energy: 0.5603489832514509
Energy: 0.5622909139535783
Energy: 0.5050717889255202
Energy: 0.5643428885397295
Energy: 0.5603489832514509
Energy: 0.5705789007848386
Energy: 0.5320859312896629
Energy: 0.580271314459198
Energy: 0.5118868932778694
Energy: 0.5705789007811777
Energy: 0.53208593128829
Energy: 0.580271314455537

minimum gb energy = 0.5050717889227745 eV
minimum distance =  2.59177131259406 Angstroms
sigma value = 113


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

Energy: 0.5873989404082465
Energy: 0.5813569864787116
Energy: 0.61878062272409
Energy: 0.5814118943009563
Energy: 0.5873989404097789
Energy: 0.5813569864873489
Energy: 0.5991561292097142
Energy: 0.5820704162900299
Energy: 0.5653327919077795
Energy: 0.634307383154576
Energy: 0.5670885323670184
Energy: 0.5820704162997351
Energy: 0.5653327919031823
Energy: 0.6343073831558763
Energy: 0.5697481429876403
Energy: 0.5516623866908611
Energy: 0.6253070722876609
Energy: 0.5514964325137953
Energy: 0.5697481430014321
Energy: 0.5516623866901181
Energy: 0.6176684236563729
Energy: 0.5170017330677109
Energy: 0.5798779145648999
Energy: 0.6681005481103484
Energy: 0.5660535837382136
Energy: 0.5170017330615813
Energy: 0.5798779145758588
Energy: 0.6681005481161993
Energy: 0.5947981066545551
Energy: 0.5240429361207128
Energy: 0.6015352016992367
Energy: 0.5257498268179732
Energy: 0.5947981066591526
Energy: 0.5240429361255422
Energy: 0.6015352016974256
Energy: 0.5170102221512113
Energy: 0.5444055345610231
Energy: 0.6138848772666287
Energy: 0.5405418295909674
Energy: 0.517010222147357
Energy: 0.5444055345515966
Energy: 0.6138848772510723
Energy: 0.5456251801776765
Energy: 0.5243890800582854
Energy: 0.6178619739394035
Energy: 0.5360520115930021
Energy: 0.5456251801848278
Energy: 0.5243890800654367
Energy: 0.6178619739455332
Energy: 0.516950589172395
Energy: 0.556604542449017
Energy: 0.6173374990604845
Energy: 0.5345617851486495
Energy: 0.5169505891762028
Energy: 0.5566045424457201
Energy: 0.6173374990604845
Energy: 0.5454570790012804
Energy: 0.5298945552876
Energy: 0.6429094312801626
Energy: 0.5241640796563326
Energy: 0.5454570790163722
Energy: 0.5298945552962836
Energy: 0.6429094312914003
Energy: 0.5170869277740131
Energy: 0.5408306431411252
Energy: 0.6363135514212105
Energy: 0.5394879578095044
Energy: 0.5170869277804213
Energy: 0.5408306431319306
Energy: 0.6363135514242753
Energy: 0.545742558536386
Energy: 0.5489340645194322
Energy: 0.6528023823839824
Energy: 0.524511205258088
Energy: 0.5457425585414939
Energy: 0.5489340645212432
Energy: 0.6528023823707015
Energy: 0.5243713131121662
Energy: 0.5341437570741894
Energy: 0.6710461840155164
Energy: 0.5379934560100159
Energy: 0.52437131312215
Energy: 0.5341437570857056
Energy: 0.6710461840152379
Energy: 0.5797796632283619
Energy: 0.5454426014345647
Energy: 0.6555730423212013
Energy: 0.5331681539990908
Energy: 0.5797796632278511
Energy: 0.5454426014383724
Energy: 0.6555730423138179
Energy: 0.5798051739719843
Energy: 0.5860907716705916
Energy: 0.6820464524670026
Energy: 0.5565191012325639
Energy: 0.5798051739643223
Energy: 0.5860907716777427
Energy: 0.6820464524651916
Energy: 0.5794800389046524
Energy: 0.5638381109450241
Energy: 0.6968012239358374
Energy: 0.5807182689682602
Energy: 0.5794800389005661
Energy: 0.5638381109475781
Energy: 0.6968012239417347
Energy: 0.5663793527077637
Energy: 0.5318821710673955
Energy: 0.6343805475388322
Energy: 0.5379586567148477
Energy: 0.566379352704699
Energy: 0.5318821710673955
Energy: 0.6343805475500699
Energy: 0.5800648543524147
Energy: 0.5454628582204831
Energy: 0.6972613869173137
Energy: 0.5334029396307063
Energy: 0.5800648543470744
Energy: 0.5454628582117995
Energy: 0.69726138689586
Energy: 0.5170268725090071
Energy: 0.5302619286147408
Energy: 0.6149378150883235
Energy: 0.5407081836537412
Energy: 0.5170268725010665
Energy: 0.5302619286121867
Energy: 0.6149378150862802
Energy: 0.5801489540802447
Energy: 0.557735018677532
Energy: 0.6423536548298602
Energy: 0.5498754165629761
Energy: 0.5801489540853527
Energy: 0.5577350186741885
Energy: 0.6593453332184955
Energy: 0.5275882294439637
Energy: 0.5340321489170107
Energy: 0.6252605904068709
Energy: 0.5336561976496585
Energy: 0.5275882294539477
Energy: 0.5340321489019652
Energy: 0.6252605903984659
Energy: 0.5304239761555403
Energy: 0.5357311239499521
Energy: 0.635607873840755
Energy: 0.5757448845492261
Energy: 0.5304239761448133
Energy: 0.5357311239367177
Energy: 0.6356078738460953
Energy: 0.5279869239200857
Energy: 0.5370826489409588
Energy: 0.5893406131016437
Energy: 0.5365703859624761
Energy: 0.5279869239236613
Energy: 0.5370826489373832
Energy: 0.58934061309296
Energy: 0.5529328418744774
Energy: 0.5325229581607381
Energy: 0.6004647349973944
Energy: 0.5732072899927655
Energy: 0.5529328418681156
Energy: 0.532522958155398
Energy: 0.6004647349973944
Energy: 0.5406027393549288
Energy: 0.5307552527981023
Energy: 0.581307934040734
Energy: 0.5335306507261462
Energy: 0.5406027393536286
Energy: 0.5307552527978235
Energy: 0.5813079340409663
Energy: 0.5303916540652239
Energy: 0.5612916742931107
Energy: 0.6217350441357116
Energy: 0.6015973730569188
Energy: 0.5303916540659669
Energy: 0.5612916742880026
Energy: 0.6217350441446738
Energy: 0.5422739830807235
Energy: 0.5565441862134242
Energy: 0.6345871480155615
Energy: 0.5566055994653905
Energy: 0.5422739830853207
Energy: 0.5565441862185322
Energy: 0.6345871480127754
Energy: 0.5944903517198296
Energy: 0.5545063998083747
Energy: 0.630557336884543
Energy: 0.6003215452866812
Energy: 0.594490351710635
Energy: 0.5545063998172904
Energy: 0.6305573368748378
Energy: 0.5371479224386554
Energy: 0.5886987964508924
Energy: 0.641126668204213
Energy: 0.5860272423031483
Energy: 0.5371479224608985
Energy: 0.5886987964488493
Energy: 0.6411266682016591
Energy: 0.6077128781617013
Energy: 0.5550635010731076
Energy: 0.6127733846449714
Energy: 0.5998792145594073
Energy: 0.6077128781660197
Energy: 0.5550635010572728
Energy: 0.5938818285100906
Energy: 0.5370469174388667
Energy: 0.5576056705504899
Energy: 0.6358989719824478
Energy: 0.5687952588603923
Energy: 0.5370469174437426
Energy: 0.5576056705563873
Energy: 0.6358989719898777
Energy: 0.5400812371766549
Energy: 0.5549958297200167
Energy: 0.6414711446890715
Energy: 0.6002567235875214
Energy: 0.5400812371878926
Energy: 0.5549958297210382
Energy: 0.6414711446752798
Energy: 0.5410667017341994
Energy: 0.5299373713497919
Energy: 0.5732281978334854
Energy: 0.5325603759769498
Energy: 0.5410667017374964
Energy: 0.5299373713513243
Energy: 0.5732281978372932
Energy: 0.554533127797605
Energy: 0.5320911797975669
Energy: 0.6198746251786253
Energy: 0.5504334482968344
Energy: 0.5545331277986266
Energy: 0.5320911798006318
Energy: 0.6198746251676199
Energy: 0.5326833030989746
Energy: 0.5299660419936991
Energy: 0.5709366667581999
Energy: 0.5302470502229036
Energy: 0.5326833031140201
Energy: 0.5299660419914237
Energy: 0.5709366667605217
Energy: 0.5295190727996448
Energy: 0.5259367578239466
Energy: 0.6165688492885995
Energy: 0.5586151801698912
Energy: 0.5295190727993662
Energy: 0.5259367578326302
Energy: 0.6165688492955186
Energy: 0.5326591664503033
Energy: 0.5302916916686626
Energy: 0.5902278187734444
Energy: 0.5229133336006945
Energy: 0.5326591664630734
Energy: 0.530291691659236
Energy: 0.590227818766804
Energy: 0.5312629526131903
Energy: 0.5311343659651618
Energy: 0.5840739565338003
Energy: 0.5714101773071184
Energy: 0.5312629526091039
Energy: 0.5311343659695269
Energy: 0.5840739565386761
Energy: 0.5316953468915304
Energy: 0.5310327097536158
Energy: 0.5668506034547479
Energy: 0.5226539919861494
Energy: 0.5316953468979386
Energy: 0.531032709758213
Energy: 0.5668506034448105
Energy: 0.5313271648046496
Energy: 0.5563404297945919
Energy: 0.6709462269741687
Energy: 0.5532092401914461
Energy: 0.531327164795966
Energy: 0.5563404298045757
Energy: 0.6709462269858708
Energy: 0.5327954954694869
Energy: 0.5614985451050097
Energy: 0.5883121412478053
Energy: 0.5549585860672844
Energy: 0.5327954954799816
Energy: 0.5614985451077958
Energy: 0.5883121412511023
Energy: 0.5827989388050006
Energy: 0.5610231496714366
Energy: 0.6854132489839817
Energy: 0.5589271434603077
Energy: 0.5827989388121517
Energy: 0.5610231496622422
Energy: 0.6854132489791058
Energy: 0.5325675475094545
Energy: 0.5649769199452931
Energy: 0.6661296225426016
Energy: 0.5867733313877359
Energy: 0.5325675475076435
Energy: 0.564976919942739
Energy: 0.6661296225359612
Energy: 0.5609766274307916
Energy: 0.5609809966562639
Energy: 0.6258546701894208
Energy: 0.5717344063367134
Energy: 0.5609766274083161
Energy: 0.560980996667223
Energy: 0.6258546701840341
Energy: 0.5382592302878701
Energy: 0.5560539902383107
Energy: 0.6656089726831756
Energy: 0.5379187931395675
Energy: 0.5382592303042159
Energy: 0.556053990239843
Energy: 0.6656089726796
Energy: 0.5230839808078802
Energy: 0.5584368971442462
Energy: 0.6161870672635419
Energy: 0.5673982305194654
Energy: 0.5230839808111771
Energy: 0.5584368971488433
Energy: 0.6161870672745473

minimum gb energy = 0.516950589172395 eV
minimum distance =  2.53262242566587 Angstroms
sigma value = 365


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

Energy: 0.5026279860793609
Energy: 0.5016363391865276
Energy: 0.6051422149319857
Energy: 0.5016363391888309
Energy: 0.5026279860868468
Energy: 0.5016363391888309
Energy: 0.6283944769645824
Energy: 0.5026279860805127
Energy: 0.5016363391865276
Energy: 0.6019958474224582
Energy: 0.5016363391848001
Energy: 0.5026279860793609
Energy: 0.5016363391842242
Energy: 0.5770466365128828
Energy: 0.5026279860816644
Energy: 0.5016363391865276
Energy: 0.6888665894773898
Energy: 0.5016363391853759
Energy: 0.5026279860793609
Energy: 0.5016363391853759
Energy: 0.6064826487722667
Energy: 0.5026279860776334
Energy: 0.5016363391853759
Energy: 0.6035551801371641
Energy: 0.501636339188255
Energy: 0.5026279860856951
Energy: 0.501636339188255
Energy: 0.6315517624202304
Energy: 0.5026279860810885
Energy: 0.5016363391871034
Energy: 0.49458942330408256
Energy: 0.5016363391853759
Energy: 0.5026279860793609
Energy: 0.5016363391848001
Energy: 0.6064826487757217
Energy: 0.5026279860805127
Energy: 0.5016363391865276
Energy: 0.5770466365111554
Energy: 0.5016363391842242
Energy: 0.5026279860793609
Energy: 0.5016363391842242
Energy: 0.46702701695582016
Energy: 0.502627986078785
Energy: 0.5016363391859517
Energy: 0.6615381189508761
Energy: 0.5016363391893806
Energy: 0.5026279860868468
Energy: 0.5016363391888309
Energy: 0.6315517624219579
Energy: 0.5026279860799369
Energy: 0.5016363391865276
Energy: 0.5178794123757673
Energy: 0.5016363391848001
Energy: 0.5026279860793609
Energy: 0.5016363391836485
Energy: 0.4668722065277417
Energy: 0.5026279860805127
Energy: 0.5016363391871034
Energy: 0.5770466365123071
Energy: 0.5016363391848001
Energy: 0.5026279860793609
Energy: 0.5016363391853759
Energy: 0.6064826487964516
Energy: 0.5026279860793609
Energy: 0.5016363391853759
Energy: 0.6036143056423785
Energy: 0.501636339188255
Energy: 0.5026279860851194
Energy: 0.5016363391888309
Energy: 0.6283944769617034
Energy: 0.5026279860805127
Energy: 0.5016363391876792
Energy: 0.60648264878839
Energy: 0.5016363391853759
Energy: 0.5026279860810885
Energy: 0.5016363391848001
Energy: 0.6064826488275207
Energy: 0.5026279860810885
Energy: 0.5016363391859517
Energy: 0.5770466365111554
Energy: 0.5016363391842242
Energy: 0.5026279860799369
Energy: 0.5016363391842242
Energy: 0.5770466365094279
Energy: 0.5026279860793609
Energy: 0.5016363391859517
Energy: 0.5770466365100038
Energy: 0.5016363391893806
Energy: 0.502627986086271
Energy: 0.5016363391888309
Energy: 0.577046636505973
Energy: 0.5026279860810885
Energy: 0.5016363391865276
Energy: 0.5770466365094279
Energy: 0.5016363391848001
Energy: 0.5026279860782092
Energy: 0.5016363391842242
Energy: 0.5770466365123071
Energy: 0.5026279860810885
Energy: 0.5016363391871034
Energy: 0.5770466365105796
Energy: 0.5016363391853759
Energy: 0.5026279860799369
Energy: 0.5016363391848001
Energy: 0.5770466365082763
Energy: 0.5026279860782092
Energy: 0.5016363391853759
Energy: 0.5770466365117313
Energy: 0.501636339188255
Energy: 0.5026279860856951
Energy: 0.5016363391888309
Energy: 0.5770466365077005
Energy: 0.5026279860810885
Energy: 0.501636339188255
Energy: 0.5770466365071246
Energy: 0.5016363391853759
Energy: 0.5026279860793609
Energy: 0.5016363391848001
Energy: 0.5770466365111554
Energy: 0.5026279860799369
Energy: 0.5016363391871034
Energy: 0.5770466365105796
Energy: 0.5016363391842242
Energy: 0.5026279860799369
Energy: 0.5016363391842242
Energy: 0.5770466365123071
Energy: 0.5026279860782092
Energy: 0.5016363391859517
Energy: 0.5770466365117313
Energy: 0.5016363391893806
Energy: 0.5026279860868468
Energy: 0.5016363391893806
Energy: 0.5770466365094279
Energy: 0.5026279860799369
Energy: 0.5016363391871034
Energy: 0.5770466365105796
Energy: 0.5016363391848001
Energy: 0.502627986078785
Energy: 0.5016363391842242
Energy: 0.5770466365134587

minimum gb energy = 0.4668722065277417 eV
minimum distance =  2.67499876709041 Angstroms
sigma value = 23