Model name: model_name=EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.1529443860054025
cohesive_energy=3.0334434765357696
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.71130963686358e-20, 1.139753209541652e-19, 1.55652261081417e-19, 1.9319686723425598e-19, 2.2724632506002397e-19, 2.5823562551485196e-19, 2.8648840827880797e-19, 3.1225140855352796e-19, 3.3572650059489596e-19, 3.5707710641957994e-19, 3.76424991451764e-19, 3.93930373354848e-19, 4.09658941370826e-19, 4.2370682609773795e-19, 4.36157340720552e-19, 4.4707937883453e-19, 4.565370275050319e-19, 4.64586362914248e-19, 4.71281859067734e-19, 4.76668376911242e-19, 4.807923795671579e-19, 4.836939214513319e-19, 4.854082504497119e-19, 4.8597221662488e-19, 4.853569807974239e-19, 4.833446469451199e-19, 4.79646823273848e-19, 4.739366657502719e-19, 4.65783188859846e-19, 4.54684911316128e-19, 4.40023392938394e-19, 4.2103439547222594e-19, 3.9677263470356394e-19, 3.66063715159686e-19, 3.2742722563077597e-19, 2.7900143686812597e-19, 2.1840070786371e-19, 1.4254533469165318e-19, 4.7508542639684996e-20, -7.199797270803839e-20, -2.22923652501492e-19, -4.14665743352076e-19, -6.60114397150974e-19, -9.77249240084934e-19, -1.391665043882106e-18, -1.9406364479325e-18, -2.6780702872636798e-18, -3.69272874957588e-18, -5.1742935265683596e-18, -7.546796686195559e-18, -1.1555955320986439e-17, -1.8826376537816997e-17, -3.3316462015712997e-17, -6.63668024925186e-17]
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: 0.010857565669936514
Energy: 0.2965138627697204
Energy: 0.31793219591669836
Energy: 0.43266654123260767
Energy: 0.42807174541582516
Energy: 0.16156029754575174
Energy: 0.0112698794301848
Energy: 0.059811910984547884
Energy: 0.4666603218902003
Energy: 0.12134410831276667
Energy: 0.3051378402169622
Energy: 0.3044865909734053
Energy: 0.011502935468404515
Energy: 0.06085965027950999
Energy: 0.011247388929218567
Energy: 0.4348613830507696
Energy: 0.4024241286613935
Energy: 0.3884684960669974
Energy: 0.35120587953274607
Energy: 0.059822416838373374
Energy: 0.06046844841837198
Energy: 0.012447841976134919
Energy: 0.3011850011431258
Energy: 0.4095874323200258
Energy: 0.4328432290598804
Energy: 0.43020778326284687
Energy: 0.060015552387858204
Energy: 0.01138388637011473
Energy: 0.06065998367784946
Energy: 0.46689293058154424
Energy: 0.12154408375534387
Energy: 0.3000286386967129
Energy: 0.3840513007310956
Energy: 0.01141925793053631
Energy: 0.06057039428773636
Energy: 0.011108296719618957
Energy: 0.30587597038354075
Energy: 0.41081054749702145
Energy: 0.3929937895386361
Energy: 0.35736303354323506
Energy: 0.05984452223655199
Energy: 0.06026520812970336

minimum gb energy = 0.010857565669936514 eV
minimum distance =  2.91035721211879 Angstroms
sigma value = 5


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

Energy: 0.650919728729288
Energy: 0.7457193518926634
Energy: 0.661932224966356
Energy: 0.695733886182639
Energy: 0.6914461249729595
Energy: 0.6859569584879249
Energy: 0.7225167260180152
Energy: 0.5790377244684884
Energy: 0.6285386784289233
Energy: 0.5943477842585609
Energy: 0.6341832868087641
Energy: 0.6302248192055705
Energy: 0.6175085769181715
Energy: 0.6339720736669553
Energy: 0.6887059573490093
Energy: 0.6124009134840803
Energy: 0.630022332145993
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Energy: 0.6078607891222839
Energy: 0.6409270698707107
Energy: 0.6109178467557824
Energy: 0.6016867024768496
Energy: 0.6460927899733396
Energy: 0.5946520235060057
Energy: 0.6494094546307365
Energy: 0.63614299608314
Energy: 0.6339911949213967
Energy: 0.6277484569271595
Energy: 0.6021789266365842
Energy: 0.6328462364330755
Energy: 0.6284873525697844
Energy: 0.6357013637418498
Energy: 0.6187958295998159
Energy: 0.6520245454095512
Energy: 0.6608764060401485
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Energy: 0.6536074850385708
Energy: 0.5927780566056415
Energy: 0.6077505914901982
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Energy: 0.6265073850040316
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Energy: 0.6183111985875431
Energy: 0.6129620268669339
Energy: 0.6063739039089279
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Energy: 0.6897150288262516
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Energy: 0.6366348773565497
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Energy: 0.6765602724333458
Energy: 0.6068262502506864
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Energy: 0.6202116892620425
Energy: 0.589317974570487
Energy: 0.6370916496616048
Energy: 0.6256408551748168
Energy: 0.5988075650751022
Energy: 0.6127691152234535
Energy: 0.6657367384442799
Energy: 0.5900055261967421
Energy: 0.6600453404019043
Energy: 0.65941911409321
Energy: 0.6146710200410471
Energy: 0.6409718530865735
Energy: 0.6849889582431584
Energy: 0.5845412018847795
Energy: 0.6397589060428807
Energy: 0.5996972614294145
Energy: 0.6612190561345905
Energy: 0.6230964598789597
Energy: 0.6125622865114985
Energy: 0.6157310385535346
Energy: 0.6767598014079046
Energy: 0.6203397786600124
Energy: 0.6558044785180502
Energy: 0.6191610855926527
Energy: 0.632215569996795
Energy: 0.6220139091220785
Energy: 0.6034597725023424
Energy: 0.5943434022754773
Energy: 0.6414351022287805
Energy: 0.6112040003423128
Energy: 0.6910821510234605
Energy: 0.6492674334663519
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Energy: 0.6351234638654816
Energy: 0.6502932736318245
Energy: 0.6266339836143718
Energy: 0.6252166692207902
Energy: 0.6678517959122449

minimum gb energy = 0.5790377244684884 eV
minimum distance =  2.66072359011604 Angstroms
sigma value = 401


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

Energy: 0.6118684745287759
Energy: 0.6876225899618494
Energy: 0.6115548567687215
Energy: 0.5784402102623208
Energy: 0.7338119013896631
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Energy: 0.6711192203663654
Energy: 0.6548104419007583
Energy: 0.6373091903259489
Energy: 0.6329286124386792
Energy: 0.574898866591848
Energy: 0.5718681041665606
Energy: 0.5780457822358211
Energy: 0.6350726981114396
Energy: 0.6319778333992069
Energy: 0.6596494603783638
Energy: 0.6418177540158615
Energy: 0.6501394525470243
Energy: 0.5799866562277947
Energy: 0.5744176773637644
Energy: 0.6259314070947745
Energy: 0.651273894888787
Energy: 0.6042000880870093
Energy: 0.6108052347566804
Energy: 0.6142996115877959
Energy: 0.58928059115219
Energy: 0.610841629555252
Energy: 0.653609212454815
Energy: 0.6292103177414695
Energy: 0.6055174660042754
Energy: 0.6136380550068715
Energy: 0.6128176927542048
Energy: 0.5919511861582232
Energy: 0.6266587098660925
Energy: 0.6288515698558992
Energy: 0.6059076397413818
Energy: 0.5859406180109423
Energy: 0.5976506733049558
Energy: 0.6149434824443996
Energy: 0.6006311945944115
Energy: 0.6210082204699473
Energy: 0.5958908687482626
Energy: 0.614479359857821
Energy: 0.5909980743237891
Energy: 0.608278334679637
Energy: 0.6169264980230106
Energy: 0.5857297107229111
Energy: 0.6519527207116532
Energy: 0.6230924097150664
Energy: 0.6090704592796591
Energy: 0.6030892586356986
Energy: 0.5940817812407286
Energy: 0.61028137087675
Energy: 0.5848010461934862
Energy: 0.624934447205316
Energy: 0.6279045294244273
Energy: 0.6103860754544493
Energy: 0.6766177653642683
Energy: 0.6167088739745187
Energy: 0.628180932669333
Energy: 0.5830536040180032
Energy: 0.5915920132932828
Energy: 0.6300974662561802
Energy: 0.6225984917491884
Energy: 0.6300080869067243
Energy: 0.607907264544985
Energy: 0.5983293880819007
Energy: 0.6190261268288569
Energy: 0.5931110258235164
Energy: 0.58871608229135
Energy: 0.6675191430592426
Energy: 0.6652783398803127
Energy: 0.6685761167420929
Energy: 0.6316475565572792
Energy: 0.6009873604365131
Energy: 0.574295847336137
Energy: 0.6697669249656734
Energy: 0.6628682223537188
Energy: 0.6256561794804809
Energy: 0.6335612617966879
Energy: 0.5809448061252058
Energy: 0.5821262364671773
Energy: 0.5672601339433722
Energy: 0.5799000315536347
Energy: 0.6447832513383869
Energy: 0.6403976713242453
Energy: 0.6065918484008851
Energy: 0.6423802885193397
Energy: 0.5935434048780895
Energy: 0.5701175229039822
Energy: 0.627585914188721
Energy: 0.6331150337621163
Energy: 0.6067339166583032
Energy: 0.617703237353176
Energy: 0.6393084393888534
Energy: 0.6038722995440537
Energy: 0.6143810498545187
Energy: 0.6334623202156291
Energy: 0.6293435511714663
Energy: 0.6231731781719017
Energy: 0.6025109184329529
Energy: 0.6163241776552537
Energy: 0.5895427745158872
Energy: 0.655660913946386
Energy: 0.6035801300288491
Energy: 0.6149080305834357
Energy: 0.59156781079686
Energy: 0.5954505333223177
Energy: 0.6238663186580772
Energy: 0.6160384357631976
Energy: 0.5914688784486933
Energy: 0.6084944385273837
Energy: 0.6302673161197927

minimum gb energy = 0.5672601339433722 eV
minimum distance =  2.67308355394022 Angstroms
sigma value = 311


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

Energy: 0.6310967473430596
Energy: 0.5777258056866232
Energy: 0.6351244408999183
Energy: 0.5792036978297935
Energy: 0.6302938962295145
Energy: 0.6027246189347644
Energy: 0.6001053105483745
Energy: 0.5889239406458984
Energy: 0.6037007725270469
Energy: 0.5887395733363828
Energy: 0.6014970303295707
Energy: 0.5828396062253371
Energy: 0.6315854526106274
Energy: 0.632521365485401
Energy: 0.6092950644574701
Energy: 0.5830231977978888
Energy: 0.6197614324993387
Energy: 0.606043710187239
Energy: 0.5923483914232797
Energy: 0.5944295431193959
Energy: 0.5862567905978658
Energy: 0.5755355240533666
Energy: 0.6435508870259775
Energy: 0.604021444547277
Energy: 0.6521759813735133
Energy: 0.6087044589585967
Energy: 0.5882365271172466
Energy: 0.6179451041803287
Energy: 0.6050067086617625
Energy: 0.5886863249532098
Energy: 0.587178566180851
Energy: 0.6458710427367519
Energy: 0.5916800596214581
Energy: 0.6313111350035229
Energy: 0.6140844360049832
Energy: 0.5930929694137069
Energy: 0.5708676716495285
Energy: 0.5893460746119036
Energy: 0.6011804839938697
Energy: 0.6043362941020207
Energy: 0.5951055050324544
Energy: 0.602377602864543
Energy: 0.6322428921481428
Energy: 0.5994072831868125
Energy: 0.6061481006812321
Energy: 0.59187193621253
Energy: 0.6323180340307448
Energy: 0.581550361864088
Energy: 0.5976786390089267
Energy: 0.5845754855874989
Energy: 0.6340481853340786
Energy: 0.5894319063843374
Energy: 0.6231729741746317
Energy: 0.620094212886506
Energy: 0.6445119237162277
Energy: 0.6370284283232308
Energy: 0.6079909232913229
Energy: 0.5915287129147347
Energy: 0.6198032767356239
Energy: 0.5806302890105678
Energy: 0.5807977199300476
Energy: 0.6004992020851742
Energy: 0.5894191893619354
Energy: 0.5910173842630436
Energy: 0.6221361115335091
Energy: 0.603142411070229
Energy: 0.6249602645797978
Energy: 0.6101699058035993
Energy: 0.5759508199448146
Energy: 0.6045420685663813
Energy: 0.6029613981479706
Energy: 0.6116562642324286
Energy: 0.6033750229395235
Energy: 0.6471132152985359
Energy: 0.6010256736375578
Energy: 0.6265426456368921
Energy: 0.5920623895416591
Energy: 0.5844889261553534
Energy: 0.5845351371542116
Energy: 0.5824989280903685
Energy: 0.5924672486684277
Energy: 0.5866156023746854
Energy: 0.5913811451337992
Energy: 0.5770818826824696
Energy: 0.619829403677268
Energy: 0.6034065296389814
Energy: 0.6102775032643376
Energy: 0.5982737697911918
Energy: 0.6311947619842245
Energy: 0.5750250418063195
Energy: 0.6093998963577992
Energy: 0.6118856813357696
Energy: 0.6427673126178868
Energy: 0.5865126652226142
Energy: 0.6232184512762272
Energy: 0.6304969753205854
Energy: 0.6394763747485493
Energy: 0.6493013177914936
Energy: 0.6077689545826708
Energy: 0.5830642353219603
Energy: 0.5788288004930795
Energy: 0.566831967963154
Energy: 0.6279650184894865
Energy: 0.5945143153408557
Energy: 0.5977664756243387
Energy: 0.5784903848451913
Energy: 0.5890269934324253
Energy: 0.6141137538720185
Energy: 0.6131523391764083
Energy: 0.600759273771767
Energy: 0.599824463785825
Energy: 0.5793553619691002
Energy: 0.6508022507303098
Energy: 0.6074323062612325
Energy: 0.6100174417997511
Energy: 0.633723120515568
Energy: 0.5806815634258489
Energy: 0.6340254325393648
Energy: 0.6104453484569572
Energy: 0.5779948344151209
Energy: 0.5882390326387323
Energy: 0.5849924134475138
Energy: 0.5932475573620302
Energy: 0.5769044265547643
Energy: 0.593820961210912
Energy: 0.592120656369757
Energy: 0.6250417273161547
Energy: 0.61502916528953
Energy: 0.6257213527908374
Energy: 0.5772397082543332
Energy: 0.6573035198058251
Energy: 0.5758455489002066
Energy: 0.6047188780203311
Energy: 0.6140603452530022
Energy: 0.6253816542015047
Energy: 0.6385507712069678
Energy: 0.6460127667922451
Energy: 0.6211794078458919
Energy: 0.6402074484127862
Energy: 0.648377598230443
Energy: 0.5921075193699852
Energy: 0.5836019244892343
Energy: 0.586950758980658
Energy: 0.5929154569992199
Energy: 0.6386397562415335
Energy: 0.5906267698585542
Energy: 0.5889792577644667
Energy: 0.576082144165986
Energy: 0.5900715117283744
Energy: 0.583581057186491
Energy: 0.5881300266671563
Energy: 0.6020810971084338
Energy: 0.5843277271275126
Energy: 0.5991947852715617
Energy: 0.6436128134423319
Energy: 0.5887921020318755
Energy: 0.583819638719074
Energy: 0.6652958187412225
Energy: 0.5904392770324611
Energy: 0.6324506383881102
Energy: 0.5932137326219157
Energy: 0.5957130005366567
Energy: 0.5917260278869811
Energy: 0.5852484545864177
Energy: 0.6029527530412357
Energy: 0.6039218892568827
Energy: 0.5792793134556173
Energy: 0.5907030106760346
Energy: 0.6303311987412707
Energy: 0.5803489079176046
Energy: 0.6049794874513974
Energy: 0.5935542128183044
Energy: 0.6403604859921402
Energy: 0.598046938556423
Energy: 0.5861807790795001
Energy: 0.6362922191200647
Energy: 0.6319575355500732
Energy: 0.5859738139126879
Energy: 0.6332282242454497
Energy: 0.6202426132124261
Energy: 0.6026847379807193
Energy: 0.638107758873054
Energy: 0.6044794139977004
Energy: 0.6068392264603314
Energy: 0.5926272364337757
Energy: 0.5813171793678519
Energy: 0.6412996340708892
Energy: 0.5739420069722808
Energy: 0.5857637442136598
Energy: 0.5918305518416908
Energy: 0.6196634267648974
Energy: 0.5903877116323906
Energy: 0.5910100689759451
Energy: 0.5903165416523415
Energy: 0.5802964539827644
Energy: 0.5787922532100122
Energy: 0.6379607107094681
Energy: 0.6082845097697236
Energy: 0.5976319060066245
Energy: 0.6281935586243439
Energy: 0.6019793123565886
Energy: 0.6743071597773413
Energy: 0.5827015331732696
Energy: 0.6011388098234521
Energy: 0.624895403027199
Energy: 0.6194917995811653
Energy: 0.5948266369643228
Energy: 0.5966597384211636
Energy: 0.575601513898967
Energy: 0.5939215516590644
Energy: 0.6342949441424641
Energy: 0.580949907303507
Energy: 0.6175050114454083
Energy: 0.5809652690469721
Energy: 0.5885233429510935
Energy: 0.596615313835799
Energy: 0.6291965406772787
Energy: 0.6019839118240651
Energy: 0.6258085858517425
Energy: 0.5873394104778225
Energy: 0.6370000533631545
Energy: 0.6293639343605397
Energy: 0.6287399883401155
Energy: 0.6362581136535097
Energy: 0.6098743866830875
Energy: 0.5851540178192636
Energy: 0.5894099132185826
Energy: 0.5791423163938662
Energy: 0.6343201908037301
Energy: 0.5917348335934833
Energy: 0.5966665759974172
Energy: 0.6030325432453092
Energy: 0.5813746701775092
Energy: 0.5794403562702217
Energy: 0.585347859210919
Energy: 0.5735051755511508
Energy: 0.5920921550649396
Energy: 0.5898973072398441
Energy: 0.6067506155305815
Energy: 0.5935061056293416
Energy: 0.6079099008068135
Energy: 0.6282110010877486
Energy: 0.5786911026951658
Energy: 0.6552598380327828
Energy: 0.6223995833478254
Energy: 0.5984465333403134
Energy: 0.6217195451655699
Energy: 0.639841120420521
Energy: 0.6098290765970305
Energy: 0.610746405887266
Energy: 0.5726743814947585
Energy: 0.6026620060421323

minimum gb energy = 0.566831967963154 eV
minimum distance =  2.63438268670168 Angstroms
sigma value = 39


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

Energy: 0.5467218891337595
Energy: 0.6319499598925274
Energy: 0.6705924406131593
Energy: 0.6534329570755394
Energy: 0.5988549901859731
Energy: 0.631649988776992
Energy: 0.5491086405872174
Energy: 0.5759883453641359
Energy: 0.6113140076558757
Energy: 0.6169416008206994
Energy: 0.5905162558081667
Energy: 0.5568791688916406
Energy: 0.5756400184019045
Energy: 0.6055121742009144
Energy: 0.5725040042985765
Energy: 0.5699263621487687
Energy: 0.6184688574379946
Energy: 0.5789480656792759
Energy: 0.5576587275315008
Energy: 0.5790127144616476
Energy: 0.5961280343869761
Energy: 0.5724858959640954
Energy: 0.561547839047279
Energy: 0.5732149299298476
Energy: 0.5658261869655211
Energy: 0.5863038026756833
Energy: 0.5709262020839136
Energy: 0.6124704198786937
Energy: 0.5862190083598974
Energy: 0.5543615322395544
Energy: 0.5805221759027435
Energy: 0.5751539142414829
Energy: 0.6160634396060686
Energy: 0.5834378625935226
Energy: 0.5850522964964591
Energy: 0.5433620691713561
Energy: 0.5595978447968328
Energy: 0.578400905562127
Energy: 0.5758040314563885
Energy: 0.6026074502053751
Energy: 0.6314260767088825
Energy: 0.6315786901768601
Energy: 0.5787689040849763
Energy: 0.6017316307197584
Energy: 0.5721473196210805
Energy: 0.6627470461737468
Energy: 0.5441008723009029
Energy: 0.533770622868096
Energy: 0.5878531104571102
Energy: 0.5376934027355826
Energy: 0.5880066378079939
Energy: 0.679932485244999
Energy: 0.6579784578275709
Energy: 0.6295769132335666
Energy: 0.5807398126932116
Energy: 0.6297249465027696
Energy: 0.5386413419657842
Energy: 0.5880377879232558
Energy: 0.6354389298239164
Energy: 0.5563355176253533
Energy: 0.5612174207470594
Energy: 0.5900525089760367
Energy: 0.6304416352080873
Energy: 0.5792377597553173
Energy: 0.6022102894975702
Energy: 0.5723990978545629
Energy: 0.584751112091914
Energy: 0.5622010567030725
Energy: 0.5751395097216461
Energy: 0.5838912173992278
Energy: 0.5751205139638045
Energy: 0.5509663603318965
Energy: 0.574632389435261
Energy: 0.5582496393388408
Energy: 0.5732171791679472
Energy: 0.5867588562950196
Energy: 0.6680180461865246
Energy: 0.5937738646723163
Energy: 0.5587781071458238
Energy: 0.5563616838435358
Energy: 0.5547264757624902
Energy: 0.6109184401304801
Energy: 0.5708016955253518
Energy: 0.5956638622072724
Energy: 0.5324219857784309
Energy: 0.5691317585759762
Energy: 0.5770361927555814
Energy: 0.568010568036316
Energy: 0.5889461338482516
Energy: 0.5819126309713925
Energy: 0.5862208784636551
Energy: 0.5834179851070704
Energy: 0.5738514233784371
Energy: 0.5785557248254456
Energy: 0.6178222314440093
Energy: 0.5373840922969151
Energy: 0.5374225813297083
Energy: 0.5878640510306888
Energy: 0.53957205084453
Energy: 0.5846256541987824
Energy: 0.5685786260059907
Energy: 0.6507885009788464
Energy: 0.5448181231216992
Energy: 0.542850969301881
Energy: 0.6069138140346808
Energy: 0.546232237315512
Energy: 0.5904897353044942
Energy: 0.6643434284689832
Energy: 0.5700110548491729
Energy: 0.5991216596980202
Energy: 0.6435482745737204
Energy: 0.5486139656408682
Energy: 0.5766761144402471
Energy: 0.6127242444384767
Energy: 0.6167603410669332
Energy: 0.594318380546055
Energy: 0.5569207507091528
Energy: 0.5751301517433177
Energy: 0.6690207342666737
Energy: 0.574742644569934
Energy: 0.5650106050577959
Energy: 0.6138976571141604
Energy: 0.5782176803737119
Energy: 0.5669106838800074
Energy: 0.5818026810061794
Energy: 0.595289752336433
Energy: 0.5744474686546348
Energy: 0.5543004339648442
Energy: 0.569730838545115
Energy: 0.5673912560914357
Energy: 0.5861961980630771
Energy: 0.5722407464332755
Energy: 0.6550947932388674
Energy: 0.5844034498676277
Energy: 0.5546181938552616
Energy: 0.5899752970722046
Energy: 0.5753117937906108
Energy: 0.6044734019968416
Energy: 0.587144774931517
Energy: 0.5841962598525525
Energy: 0.5456962133525005
Energy: 0.5595154821880958
Energy: 0.5761612842498447
Energy: 0.5765926298836412
Energy: 0.6013452173245977
Energy: 0.5476746145088586
Energy: 0.6336417079859643
Energy: 0.5800544253768538
Energy: 0.5955387987806525
Energy: 0.5691115919429943
Energy: 0.6211898783536562
Energy: 0.5482255349508899
Energy: 0.5340141570830144
Energy: 0.5845630843001568
Energy: 0.537139345754296
Energy: 0.5870775436876585
Energy: 0.6791393326025237
Energy: 0.593030282527366
Energy: 0.6292420853845704
Energy: 0.5815194476094626
Energy: 0.5802950962298772
Energy: 0.5407804233056909
Energy: 0.5887707021209829
Energy: 0.631250468359669
Energy: 0.5555360138054006
Energy: 0.5675415800933752
Energy: 0.6218553269738933
Energy: 0.6316459342198658
Energy: 0.5809027213957093
Energy: 0.5935474125463067
Energy: 0.5744701213172126
Energy: 0.5872023392141936
Energy: 0.5603919777534904
Energy: 0.574962858162942
Energy: 0.5872487785009571
Energy: 0.5752493588894944
Energy: 0.5508197158588785
Energy: 0.5752316319732259
Energy: 0.5572006445744431
Energy: 0.5696803679750068
Energy: 0.5754424928090731
Energy: 0.6123636039265741
Energy: 0.5980615144908545
Energy: 0.5573372717876388
Energy: 0.5636297267648118
Energy: 0.5541593319613275
Energy: 0.6131855294059464
Energy: 0.5728651161141967
Energy: 0.5946707919173573
Energy: 0.5329103272744343
Energy: 0.5541621224682868
Energy: 0.6008040417872171
Energy: 0.5686720656516204
Energy: 0.6026875023522641
Energy: 0.5827048581177329
Energy: 0.5817323645760661
Energy: 0.5859918441075803
Energy: 0.5736382487849461
Energy: 0.5830553462327602
Energy: 0.6178519570713075
Energy: 0.5447673310774077
Energy: 0.5359692375999111
Energy: 0.5836561450541706
Energy: 0.5406039738689935
Energy: 0.584590715075126
Energy: 0.5687718221969315
Energy: 0.6019718585523429
Energy: 0.5464431939693419
Energy: 0.5387885083610856
Energy: 0.6052246850274304

minimum gb energy = 0.5324219857784309 eV
minimum distance =  2.69553005759727 Angstroms
sigma value = 21


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

Energy: 0.6913223421467448
Energy: 0.7517374385800498
Energy: 0.682918305776037
Energy: 0.7287714548389965
Energy: 0.6085161774541814
Energy: 0.5971226567699108
Energy: 0.7037715578755863
Energy: 0.5786606485994363
Energy: 0.6172985780578716
Energy: 0.6459059506693344
Energy: 0.6641688766731069
Energy: 0.6778837489966066
Energy: 0.6855339617410159
Energy: 0.7188824500122711
Energy: 0.6291509702862806
Energy: 0.5946265849429477
Energy: 0.600907013439526
Energy: 0.667091155959786
Energy: 0.6675026809260924
Energy: 0.6243137077207493
Energy: 0.6349295369168185
Energy: 0.6712192532708837
Energy: 0.6464364686907124
Energy: 0.6049820529213049
Energy: 0.6487089734557775
Energy: 0.5759236535536233
Energy: 0.587837459582782
Energy: 0.6328057349753593
Energy: 0.5685618636252495
Energy: 0.635734930099055
Energy: 0.5881837480052929
Energy: 0.5518761365846556
Energy: 0.5612973828720933
Energy: 0.5654529615061087
Energy: 0.5754938669532473
Energy: 0.5374660864338894
Energy: 0.5347502948957475
Energy: 0.6169535327659518
Energy: 0.5465183884156551
Energy: 0.5667474895257435
Energy: 0.5616655435119893
Energy: 0.5679215889719026
Energy: 0.605393220322911
Energy: 0.5495355328177396
Energy: 0.588296917889884
Energy: 0.5311952980597318
Energy: 0.5423330492640015
Energy: 0.5368755258944834
Energy: 0.5729047661723826
Energy: 0.5665670095734634
Energy: 0.5551947407072682
Energy: 0.6091190117356884
Energy: 0.6347461497506842
Energy: 0.6033056061131488
Energy: 0.568885490647663
Energy: 0.5772373461638842
Energy: 0.5797638585193374
Energy: 0.598505102244876
Energy: 0.5883871443243406
Energy: 0.6387292422498072
Energy: 0.6221819740779218
Energy: 0.6600945975232225
Energy: 0.657812773492838
Energy: 0.6490877945305987
Energy: 0.6702591013463611
Energy: 0.6204611050512865
Energy: 0.6310763075808485
Energy: 0.5869309916051139
Energy: 0.6238225063811098
Energy: 0.6259067663241029
Energy: 0.6076621148350917
Energy: 0.6232294571098729
Energy: 0.5838890877463021
Energy: 0.597252156961597
Energy: 0.5838755572286907
Energy: 0.5376616403392257
Energy: 0.6253140517376004
Energy: 0.6590833785327407
Energy: 0.5944364235851528
Energy: 0.6787685072581392
Energy: 0.6458260897004581
Energy: 0.6718458977574462
Energy: 0.6727058264375188
Energy: 0.6440190773885689
Energy: 0.6374445382787273
Energy: 0.6070603015353798
Energy: 0.6916985641435108
Energy: 0.6768353922119793
Energy: 0.6324545530314633
Energy: 0.5900310613916149
Energy: 0.6302471800774258
Energy: 0.6320294925508756
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Energy: 0.5998568572422412
Energy: 0.6178932750374513
Energy: 0.5515373031444142
Energy: 0.6643626599897781
Energy: 0.7462908212410546
Energy: 0.6585833704507046
Energy: 0.6141416098419217
Energy: 0.6318125827284958
Energy: 0.6813727873906364
Energy: 0.6803042095526584
Energy: 0.6866973224029346
Energy: 0.6377902836442221
Energy: 0.6767624549624409
Energy: 0.6439391306949301
Energy: 0.6086421583403543
Energy: 0.6208609133196102
Energy: 0.604541016120967
Energy: 0.5938937212120629
Energy: 0.6389547816627578
Energy: 0.569623453492203
Energy: 0.644820342472724
Energy: 0.5775569815836856
Energy: 0.5407958141430164
Energy: 0.5523791172870116
Energy: 0.5579585893767129
Energy: 0.5776741054089891
Energy: 0.5329330907029756
Energy: 0.5707985204363438
Energy: 0.6271824575992831
Energy: 0.576564746030348
Energy: 0.5519773344476141
Energy: 0.5782548551211911
Energy: 0.5788282426194977
Energy: 0.6405210381000238
Energy: 0.5481932700556226
Energy: 0.6274135520089762
Energy: 0.6040093703685103
Energy: 0.5680615187570952
Energy: 0.5384806748026946
Energy: 0.5681361125577502
Energy: 0.663117335561534
Energy: 0.5580540627981095
Energy: 0.595339576178607
Energy: 0.5899576946739362
Energy: 0.6012163763454477
Energy: 0.5643281425281657
Energy: 0.5787432527453796
Energy: 0.5809212128252286
Energy: 0.5727421017533812
Energy: 0.6652792296379645
Energy: 0.6687091424239152
Energy: 0.646916279502229
Energy: 0.7040801525169451
Energy: 0.6383565797427758
Energy: 0.6239992051261827
Energy: 0.667518726390854
Energy: 0.5857134815448083
Energy: 0.5917093834487797
Energy: 0.5726421087058082
Energy: 0.5900353827554288
Energy: 0.6350499709768048
Energy: 0.673607322722393
Energy: 0.6366036803904626
Energy: 0.6965313350713331
Energy: 0.685745935302945
Energy: 0.5903835107096737
Energy: 0.6609697558736382
Energy: 0.6332676014025217
Energy: 0.6563271837185819
Energy: 0.5775307838239528
Energy: 0.6156876692730846
Energy: 0.6699627963385726
Energy: 0.6971494478741511
Energy: 0.6760505755028289
Energy: 0.6467217586739644
Energy: 0.6330546054546373
Energy: 0.6340014386612719
Energy: 0.665479823111686
Energy: 0.634038527633233
Energy: 0.5888274795001749
Energy: 0.6612271600997055
Energy: 0.6580380493048151

minimum gb energy = 0.5311952980597318 eV
minimum distance =  2.66138412028277 Angstroms
sigma value = 113


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

Energy: 0.6576135081071162
Energy: 0.7630158612632121
Energy: 0.7142526696833508
Energy: 0.7121524431908367
Energy: 0.6981695212101223
Energy: 0.6701931919162125
Energy: 0.7287627519131208
Energy: 0.6798829115162563
Energy: 0.7115835936807418
Energy: 0.7282381113593539
Energy: 0.7457529168391754
Energy: 0.7306766518962109
Energy: 0.7146154031317133
Energy: 0.7683038675796006
Energy: 0.7119713264331134
Energy: 0.7231380128134818
Energy: 0.6597392407112789
Energy: 0.7081206892501049
Energy: 0.6580363561406404
Energy: 0.6676813937522803
Energy: 0.6427459899307381
Energy: 0.675044725096975
Energy: 0.7034888558514608
Energy: 0.66590095500342
Energy: 0.688504877184761
Energy: 0.6877859860276424
Energy: 0.6701725497992128
Energy: 0.7166535325285046
Energy: 0.6516555068962276
Energy: 0.7220067465615878
Energy: 0.6624265070552234
Energy: 0.6953876895981991
Energy: 0.6744107929337468
Energy: 0.6455401296640677
Energy: 0.6741317274113162
Energy: 0.5997915421766059
Energy: 0.6294751270662465
Energy: 0.6598294857709114
Energy: 0.6303586455490501
Energy: 0.6087051744744651
Energy: 0.6156013183783884
Energy: 0.6424545305391979
Energy: 0.6801580201392313
Energy: 0.6494435323648226
Energy: 0.6722918021860719
Energy: 0.6398180062811221
Energy: 0.6564268290624824
Energy: 0.6434159608231698
Energy: 0.711982749093418
Energy: 0.6072415700123087
Energy: 0.6001162932549275
Energy: 0.5926872850753654
Energy: 0.7008696593714346
Energy: 0.6719384829888921
Energy: 0.6361937375530408
Energy: 0.6274058268943357
Energy: 0.5912367879953434
Energy: 0.5906817655522331
Energy: 0.6579092424465374
Energy: 0.5837023565447119
Energy: 0.6449627282141255
Energy: 0.6842071674480825
Energy: 0.6762880986448268
Energy: 0.6559818860047485
Energy: 0.6775004234595312
Energy: 0.6514799742613561
Energy: 0.583357033208787
Energy: 0.5852264177940026
Energy: 0.639176002627124
Energy: 0.6303738200845784
Energy: 0.6402176719191696
Energy: 0.603585046128472
Energy: 0.6386452361462382
Energy: 0.5997698400037816
Energy: 0.6034895519799499
Energy: 0.6486161703095648
Energy: 0.6394374351472238
Energy: 0.5748349336887068
Energy: 0.6165798971853855
Energy: 0.6838890767168259
Energy: 0.6674744536290637
Energy: 0.6448342846790134
Energy: 0.6616698274208751
Energy: 0.6529449621791715
Energy: 0.6423748170938688
Energy: 0.5782940602709679
Energy: 0.5965974590281286
Energy: 0.664844464403248
Energy: 0.6613420513001402
Energy: 0.619785966300832
Energy: 0.5929584958203685
Energy: 0.6773798446716472
Energy: 0.6228456353465118
Energy: 0.6259297998749964
Energy: 0.6592021291866691
Energy: 0.615842404082561
Energy: 0.6222546572440767
Energy: 0.6421033687712374
Energy: 0.5974092576209743
Energy: 0.6921057707136143
Energy: 0.6445013579448728
Energy: 0.6116849389027996
Energy: 0.5915523326511535
Energy: 0.649972846429017
Energy: 0.654160519745588
Energy: 0.6378676170830314
Energy: 0.6426974616264035
Energy: 0.6498181809267367
Energy: 0.6491063910406574
Energy: 0.6613090486344066
Energy: 0.6607124076436773
Energy: 0.6624042337531401
Energy: 0.6725642864452951
Energy: 0.7039414816972965
Energy: 0.644385175519948
Energy: 0.6694621405748195
Energy: 0.6796923035377083
Energy: 0.6696601911242177
Energy: 0.7368076807651552
Energy: 0.6303448002898183
Energy: 0.6694981126684826
Energy: 0.6481663653070082
Energy: 0.6772876116197635
Energy: 0.661120907821671
Energy: 0.6732032447557165
Energy: 0.6895014525411065
Energy: 0.7083828400332266
Energy: 0.7146593315028359
Energy: 0.7152150889808003
Energy: 0.7275303811168784
Energy: 0.6753434846758206
Energy: 0.6654983476890394
Energy: 0.731408608482279
Energy: 0.6654537252674
Energy: 0.7695203023888237
Energy: 0.6652684240426257
Energy: 0.7250793572330678
Energy: 0.6803885676280548
Energy: 0.672695488167587
Energy: 0.7785606023093913
Energy: 0.7294914560999702
Energy: 0.713802378604333
Energy: 0.66335335861146
Energy: 0.6912415434402929
Energy: 0.6367006751046862
Energy: 0.6440827637062944
Energy: 0.632645447416815
Energy: 0.675397932160729
Energy: 0.7008495820308446
Energy: 0.6654870539442388
Energy: 0.7462955161371609
Energy: 0.6476405989608585
Energy: 0.6456025973428149
Energy: 0.7270736173278721
Energy: 0.6503311417945484
Energy: 0.6933794671636405
Energy: 0.7116443087228926
Energy: 0.7112462837871025
Energy: 0.6965396863938127
Energy: 0.6727210966673418
Energy: 0.7349088843884806
Energy: 0.7368546535845376
Energy: 0.7131537772130428
Energy: 0.7306730971431746
Energy: 0.7222950230808466
Energy: 0.7279178817140007
Energy: 0.7207134762346761
Energy: 0.765625695355774
Energy: 0.6249883658877141
Energy: 0.7221829365958702
Energy: 0.6792910942441698
Energy: 0.7128366036554653
Energy: 0.637218716671171
Energy: 0.6688640272157858
Energy: 0.6872982492099043
Energy: 0.6775643985113365
Energy: 0.7349103977674434
Energy: 0.6602300163173449
Energy: 0.711318390474094
Energy: 0.7106658173014724
Energy: 0.6704676871652673
Energy: 0.7846241727335056
Energy: 0.6526071979736283
Energy: 0.7216827325768674
Energy: 0.6917524815986458
Energy: 0.6844522873583603
Energy: 0.6774401164566913
Energy: 0.6656911310296842
Energy: 0.6738445695292812
Energy: 0.5985778857343218
Energy: 0.63272589266983
Energy: 0.6558356785877402
Energy: 0.6233364979073446
Energy: 0.609261105929135
Energy: 0.617202155305676
Energy: 0.6853402764542063
Energy: 0.6132716004182752
Energy: 0.6436631321236044
Energy: 0.6683428089080381
Energy: 0.6753457026871561
Energy: 0.6513136662196475
Energy: 0.6469786882311627
Energy: 0.7021782486263952
Energy: 0.6025458907867252
Energy: 0.5995312353126018
Energy: 0.5991789424185148
Energy: 0.7017453647951813
Energy: 0.6715647546450346
Energy: 0.6044261227831511
Energy: 0.6147918098520152
Energy: 0.5737871360394284
Energy: 0.6038646969329503
Energy: 0.6617750411512939
Energy: 0.5839678637480856
Energy: 0.6585309842814518
Energy: 0.6800347801316612
Energy: 0.6801701648988665
Energy: 0.6329733771434907
Energy: 0.6764419287416903
Energy: 0.6523073331079058
Energy: 0.583961134620306
Energy: 0.5927883168831853
Energy: 0.6618751530431766
Energy: 0.6124756262365366
Energy: 0.6571340593398913
Energy: 0.6044957627491403
Energy: 0.5931218285416975
Energy: 0.5998417022036644
Energy: 0.6045974586870793
Energy: 0.6532820792991785
Energy: 0.6403359751646924
Energy: 0.5920945982277013
Energy: 0.6002253903281222
Energy: 0.6782750290054586
Energy: 0.6643581363178258
Energy: 0.6584011219894612
Energy: 0.6551633668564731
Energy: 0.6449985356315049
Energy: 0.6198569529102672
Energy: 0.5785327556247968
Energy: 0.5948122766544912
Energy: 0.6693016444410167
Energy: 0.6640458421979968
Energy: 0.6203668880854979
Energy: 0.6001551148766748
Energy: 0.6698297242585792
Energy: 0.6290876204530618
Energy: 0.6622393218544619
Energy: 0.6601786028309767
Energy: 0.6130484538207509
Energy: 0.672563221999093
Energy: 0.6670547893042683
Energy: 0.5740383942828339
Energy: 0.6606438847958367
Energy: 0.6537625088705508
Energy: 0.5830289351760696
Energy: 0.5917636557103598
Energy: 0.6073874999649351
Energy: 0.6240806391912511
Energy: 0.6449555749761582
Energy: 0.6548968717253254
Energy: 0.6353522747597984
Energy: 0.6518953533394555
Energy: 0.650852892206775
Energy: 0.6500693776681103
Energy: 0.6629187779048872
Energy: 0.6591186784828812
Energy: 0.7273174820011021
Energy: 0.6410068591425447
Energy: 0.6665814072862976
Energy: 0.6795918039274191
Energy: 0.636666227432506
Energy: 0.6416592457300532
Energy: 0.6305139882789187
Energy: 0.6694629306677032
Energy: 0.6489812283688423
Energy: 0.6742187310123221
Energy: 0.6944922605952392
Energy: 0.6711050177646443
Energy: 0.6890475578315484
Energy: 0.706168188388573
Energy: 0.7129652565994014
Energy: 0.6558876169178791
Energy: 0.7324874026395554
Energy: 0.7286676833844549
Energy: 0.7320978630314341
Energy: 0.7305758672835313
Energy: 0.6692566055315492
Energy: 0.7131238437655438
Energy: 0.6670014539432899
Energy: 0.7207001520454853
Energy: 0.6808329952829222
Energy: 0.6715551839954392
Energy: 0.6941667371691304
Energy: 0.7163301349573123
Energy: 0.6618413109131801
Energy: 0.6554069870059394
Energy: 0.761062453441493
Energy: 0.6326545548576022
Energy: 0.652735261578128
Energy: 0.6388888863836127
Energy: 0.6776897521067952
Energy: 0.6998014807798343
Energy: 0.6727510455120105
Energy: 0.6826143696572547
Energy: 0.6328839031422178
Energy: 0.6460987604117994
Energy: 0.7097219894426852
Energy: 0.638766026125189
Energy: 0.7101863433594744
Energy: 0.7057133921335224
Energy: 0.7108425152378863
Energy: 0.6967768910145894
Energy: 0.6727940591772831
Energy: 0.7344749690020875

minimum gb energy = 0.5737871360394284 eV
minimum distance =  2.6271949434161 Angstroms
sigma value = 365


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

Energy: 0.6098113009584789
Energy: 0.707851096865661
Energy: 0.5971914776171728
Energy: 0.5869138318713483
Energy: 0.5888453215480307
Energy: 0.5954998408853157
Energy: 0.5843577993969135
Energy: 0.5928515279336296
Energy: 0.6918524108541557
Energy: 0.5845911799062448
Energy: 0.5736762708409184
Energy: 0.5770756224275874
Energy: 0.5825428404268457
Energy: 0.6919065639626594
Energy: 0.5920535283428172
Energy: 0.691020834104804
Energy: 0.5794342221460105
Energy: 0.586304529657518
Energy: 0.5893076526312451
Energy: 0.578680918421089
Energy: 0.5796146917007924
Energy: 0.5921632924080543
Energy: 0.712327614466443
Energy: 0.5814388011113313
Energy: 0.5851021664625067
Energy: 0.5882792523913322
Energy: 0.5777783172043556
Energy: 0.581849803788122
Energy: 0.611301020513434
Energy: 0.6919036703903099
Energy: 0.586433090037729
Energy: 0.7126765834344361
Energy: 0.5698498132397338
Energy: 0.5847899480788936
Energy: 0.6936996120777965
Energy: 0.5958982365979806
Energy: 0.7141184322015799
Energy: 0.5978713804468376
Energy: 0.5874293520861508
Energy: 0.5878786819887193
Energy: 0.595019055143461
Energy: 0.5826833836155562
Energy: 0.5909499748502409
Energy: 0.7018669251691231
Energy: 0.5816762383278945
Energy: 0.5760711841203462
Energy: 0.5753124413775087
Energy: 0.5775189021768202
Energy: 0.7024857609496981
Energy: 0.5927073777181833
Energy: 0.6934853998577325
Energy: 0.580384631647803
Energy: 0.5871494736733278
Energy: 0.5734903015694961
Energy: 0.5790256189375573
Energy: 0.7005583356963804
Energy: 0.5926823948289492
Energy: 0.7133805898156286
Energy: 0.5978573361952774
Energy: 0.5869738330323491
Energy: 0.587891244609783
Energy: 0.5945196365431824
Energy: 0.5825710159131025
Energy: 0.6113031128310067
Energy: 0.694518376776696
Energy: 0.5847846933286446
Energy: 0.7310311289169636
Energy: 0.7315711048043932
Energy: 0.5855812161340119
Energy: 0.696038807199756
Energy: 0.593970980368428
Energy: 0.7168912367201503
Energy: 0.5792237577044733
Energy: 0.5870683739778252
Energy: 0.5875425635569999
Energy: 0.595901782448126
Energy: 0.5820691124526695
Energy: 0.5914791943904819
Energy: 0.6889580229067489
Energy: 0.5801463617864718
Energy: 0.5874661717933625
Energy: 0.571379289327557
Energy: 0.5790757032544407
Energy: 0.6968481962249045
Energy: 0.5932913503780979
Energy: 0.6983292273321164
Energy: 0.5805668024506053
Energy: 0.5730194243754011
Energy: 0.5749108625410837
Energy: 0.5781605808836213
Energy: 0.6995009386905547
Energy: 0.595362022437859
Energy: 0.7156375883472539
Energy: 0.5969659704923224
Energy: 0.5867247180857788
Energy: 0.586613787454018
Energy: 0.5954054911857679
Energy: 0.5830959960839278
Energy: 0.6111033207456316
Energy: 0.6912060782803434
Energy: 0.5868889026569983
Energy: 0.5805727069206457
Energy: 0.5796550625678742
Energy: 0.5818664998960621
Energy: 0.6931108485131539
Energy: 0.5925626225200851
Energy: 0.7153443472387314
Energy: 0.5801142847489934
Energy: 0.5865623805984174
Energy: 0.5889576274941916
Energy: 0.5754968703467276
Energy: 0.5814841138948061
Energy: 0.5913934958403152
Energy: 0.6892348015152318
Energy: 0.5803937067997803
Energy: 0.5861972215148535
Energy: 0.5896344741148
Energy: 0.5782189904124074
Energy: 0.5809099487303028
Energy: 0.6131684103402976
Energy: 0.6974067569136465
Energy: 0.5863425209996178
Energy: 0.5805911939403189
Energy: 0.5773178448915517
Energy: 0.5803157373680434
Energy: 0.6932658586751391
Energy: 0.5984630145641279
Energy: 0.7135821750078051
Energy: 0.5966402436297701
Energy: 0.586692073758884
Energy: 0.5883703537929018
Energy: 0.5951372380737265
Energy: 0.5834646505952406
Energy: 0.5924493968305924
Energy: 0.6905581015640898
Energy: 0.5837476416193542
Energy: 0.5726555121445983
Energy: 0.575141140680403
Energy: 0.5819666933669261
Energy: 0.6946740729093724

minimum gb energy = 0.5698498132397338 eV
minimum distance =  2.68989191424304 Angstroms
sigma value = 23