Model name: model_name=EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.1529443442821545
cohesive_energy=3.033443451543865
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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]
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: 0.010028739069193979
Energy: 0.012768553114320031
Energy: 0.08915839414397626
Energy: 0.08238301163328939
Energy: 0.012344499425882036
Energy: 0.01092371171667433
Energy: 0.07931869857001513
Energy: 0.08853226671083039
Energy: 0.08036025171234779
Energy: 0.011834474689934607
Energy: 0.010484991793170875
Energy: 0.08796051239455013
Energy: 0.07970388757515369
Energy: 0.09970842526429244
Energy: 0.08885012543989389
Energy: 0.0853393889877878
Energy: 0.09463925020461281
Energy: 0.08566761281297834
Energy: 0.3904936021154653
Energy: 0.08811601120282313
Energy: 0.08455551390480893
Energy: 0.012369431791932027
Energy: 0.010378530807355337
Energy: 0.08771452092342648
Energy: 0.08665141535400736
Energy: 0.08080987880220404
Energy: 0.011791904713175237
Energy: 0.010292289056429028
Energy: 0.08137741799980705
Energy: 0.088340322473304
Energy: 0.08838930980600433
Energy: 0.010948365286597121
Energy: 0.010746216533113907
Energy: 0.09203117913088606
Energy: 0.08812918212625255
Energy: 0.07088708090075904
Energy: 0.010813591984815232
Energy: 0.01046613457748756
Energy: 0.08962867922762904
Energy: 0.08619279920282356
Energy: 0.08453380213902875
Energy: 0.0878853258679196
Energy: 0.08794494684228536
Energy: 0.011201049827941007
Energy: 0.010569174830112535
Energy: 0.08051044510864941
Energy: 0.08378079624948381
Energy: 0.08369996894665901
Energy: 0.01170383172261879
Energy: 0.08924216343378102
Energy: 0.08287376018530994
Energy: 0.09856448366982523
Energy: 0.08325888416180219
Energy: 0.010783751861534354
Energy: 0.012785679542210814
Energy: 0.0839776704554517
Energy: 0.3830244169442373
Energy: 0.08398373525013231
Energy: 0.010658990017335283
Energy: 0.013481563457452607
Energy: 0.013421442764976489
Energy: 0.08818868675565081
Energy: 0.07053634745927946
Energy: 0.08198833939603917
Energy: 0.07407284159638103
Energy: 0.013092780040832032
Energy: 0.09469394458470065
Energy: 0.08522454538705271
Energy: 0.0821538348580971
Energy: 0.0712570490268511

minimum gb energy = 0.010028739069193979 eV
minimum distance =  2.89915219933679 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.5929560226264436
Energy: 0.5612653398476781
Energy: 0.5516895972574654
Energy: 0.598196239714953
Energy: 0.6335579363309071
Energy: 0.5577544293017924
Energy: 0.5603772688824877
Energy: 0.5548895680584052
Energy: 0.5965549184922637
Energy: 0.4593765407221439
Energy: 0.6061825767257893
Energy: 0.55489351950777
Energy: 0.49747302722021725
Energy: 0.4721637521391611
Energy: 0.4725921812399591
Energy: 0.5604381681446745
Energy: 0.5483359894452051
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Energy: 0.5445002460815033
Energy: 0.5521565905429515
Energy: 0.5880584500499685
Energy: 0.5162731367445403
Energy: 0.5586416715544572
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Energy: 0.4798473985303318
Energy: 0.6687762972552422
Energy: 0.5986440760058466
Energy: 0.5410743056750973
Energy: 0.5285634677435334
Energy: 0.5489005793680616
Energy: 0.5260615729904108
Energy: 0.5518271590150587
Energy: 0.4770788503318489
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Energy: 0.48206425668997616
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Energy: 0.5736302517799932
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Energy: 0.44015583424656096
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Energy: 0.5661256846585059
Energy: 0.5742567596044247
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Energy: 0.5668926429749033
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Energy: 0.5089693803969146
Energy: 0.5242467312741498
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Energy: 0.5443326165152275
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Energy: 0.5389130971425735
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Energy: 0.5359091683170181
Energy: 0.5866767268186485
Energy: 0.5185723374200456
Energy: 0.5344060101126242
Energy: 0.5445714217803828
Energy: 0.5569232718923092
Energy: 0.5095961190531357
Energy: 0.506613206227251
Energy: 0.5495710302752809
Energy: 0.5098105985643562
Energy: 0.5416790926451666
Energy: 0.6655915911038252
Energy: 0.5157631807652919
Energy: 0.48994712431761245
Energy: 0.5616040512036162
Energy: 0.5772466817493666
Energy: 0.6011535668682714
Energy: 0.47366314451495656
Energy: 0.5221962006894871
Energy: 0.584039175428165
Energy: 0.5827853625175982
Energy: 0.6237941176001225
Energy: 0.5631360316748372
Energy: 0.597027041641399
Energy: 0.6496894830729392
Energy: 0.5788076555167748
Energy: 0.5530408332107941
Energy: 0.5409621494738919
Energy: 0.5452420488949701
Energy: 0.5861837789039019
Energy: 0.574620660608898
Energy: 0.5517108181072529
Energy: 0.5335405106855516
Energy: 0.5583245467430328
Energy: 0.5935771798956515
Energy: 0.6047591035204226
Energy: 0.4709831123255741
Energy: 0.49342829135862293
Energy: 0.5567366944124115
Energy: 0.5635678940350811
Energy: 0.6142594364450804
Energy: 0.6742918202538332
Energy: 0.5552828780034893
Energy: 0.5702098646930616
Energy: 0.5358537328770724
Energy: 0.5722885262046261
Energy: 0.6041376936512407
Energy: 0.5614725601511862
Energy: 0.5729219573025293
Energy: 0.5503300733140164
Energy: 0.5911757283337572

minimum gb energy = 0.44015583424656096 eV
minimum distance =  2.68732338200286 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.6187742144704018
Energy: 0.5505194284893701
Energy: 0.5518295204456554
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Energy: 0.7262335535426329
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Energy: 0.5548724531345902
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minimum gb energy = 0.5178397027621725 eV
minimum distance =  2.66003952717872 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.5481723048202826
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Energy: 0.5352665887075938
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Energy: 0.5494534160520358
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Energy: 0.5384029708211711
Energy: 0.5476339943605955
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Energy: 0.5372338816540705
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Energy: 0.5726609576724014
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Energy: 0.5405843580099733
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Energy: 0.5750161440122933
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Energy: 0.5485190261284579
Energy: 0.5739643698541714
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Energy: 0.5450104125726153
Energy: 0.5749949084667523
Energy: 0.5643505368392442
Energy: 0.5432242610152023
Energy: 0.5469531472745705
Energy: 0.6064218702502149
Energy: 0.5493423848089758
Energy: 0.5383714618394688
Energy: 0.5430263482411823
Energy: 0.5367142371682069
Energy: 0.6029770889763396
Energy: 0.5547583746460666
Energy: 0.5388407889841815
Energy: 0.5348082427050311
Energy: 0.5968232981745965
Energy: 0.5737178640755192
Energy: 0.5495558487556502
Energy: 0.5358565531998271
Energy: 0.5279114453127463
Energy: 0.5923972037120392
Energy: 0.5736844228074073
Energy: 0.5341065045912
Energy: 0.5592379331983325
Energy: 0.5939250791221748
Energy: 0.5739453109530528
Energy: 0.5386051492263327
Energy: 0.5334374786645428
Energy: 0.5629963353924712
Energy: 0.5470297147442
Energy: 0.5679941592268694
Energy: 0.5355007358770514
Energy: 0.5335435807830027
Energy: 0.5357825638660969
Energy: 0.581121864425733
Energy: 0.5498325079970987
Energy: 0.5345327762434835
Energy: 0.5397923524664698
Energy: 0.5762121341956614
Energy: 0.5818575294470038
Energy: 0.5378458616250171
Energy: 0.535715088574544
Energy: 0.543838102814996
Energy: 0.5805463861172987
Energy: 0.5432257332006037
Energy: 0.5331039428642851
Energy: 0.5501625280742747
Energy: 0.553398520128709
Energy: 0.5877813878402866
Energy: 0.5520823655366635
Energy: 0.5353355316571683
Energy: 0.5661637863989369
Energy: 0.5550347388673691
Energy: 0.5883563187807378
Energy: 0.5397459542392895
Energy: 0.5411083024135798
Energy: 0.5457150513925193
Energy: 0.5740832128562995
Energy: 0.536438744759567
Energy: 0.5357629541104241
Energy: 0.5508505751538917
Energy: 0.5409049665334918
Energy: 0.5750315802549242
Energy: 0.5486963016480575
Energy: 0.5393385139518763
Energy: 0.5301671412088189
Energy: 0.5528325730185234
Energy: 0.5518994832082844
Energy: 0.5380485948908158
Energy: 0.5548346368691564
Energy: 0.5295300053034665
Energy: 0.5491254904927123
Energy: 0.5494446262481879
Energy: 0.5787863533110452

minimum gb energy = 0.5254613477649145 eV
minimum distance =  2.65241988307307 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.6683892211549168
Energy: 0.5184489960553187
Energy: 0.521465591847304
Energy: 0.522667086112055
Energy: 0.522840177714449
Energy: 0.6682856989717648
Energy: 0.5245537104063676
Energy: 0.5224122424345091
Energy: 0.5257217622978521
Energy: 0.5211620385722646
Energy: 0.5291345246346157
Energy: 0.5205790648015141
Energy: 0.5229354537177063
Energy: 0.5064823567789453
Energy: 0.5196305860394815
Energy: 0.5204811049774508
Energy: 0.5204933192312895
Energy: 0.5191992431191165
Energy: 0.5061473944555046
Energy: 0.5203934601670189
Energy: 0.5124286314846778
Energy: 0.5194581731539722
Energy: 0.5318395688951126
Energy: 0.5197825395045766
Energy: 0.5419175871216747
Energy: 0.5146746491415051
Energy: 0.5211103580283994
Energy: 0.5158869911100952
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Energy: 0.5301456778494531
Energy: 0.523475735639634
Energy: 0.5119601742772909
Energy: 0.5388536008923772
Energy: 0.5140719041650312
Energy: 0.5248955306447062
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Energy: 0.5111006823738291
Energy: 0.5304101561913593
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Energy: 0.5247876342460857
Energy: 0.5175250908049418
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Energy: 0.5111390658130943
Energy: 0.52139668728675
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Energy: 0.5173624523997448
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Energy: 0.5077010646663346
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Energy: 0.5383337883541346
Energy: 0.517196632612005
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Energy: 0.5051623479085322
Energy: 0.5312398117402332
Energy: 0.5236755500324719
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Energy: 0.5231043646886496
Energy: 0.5213349438431234
Energy: 0.514767479104486
Energy: 0.5140688580999344
Energy: 0.5224565711022726
Energy: 0.5203045875757807
Energy: 0.5202255429146523
Energy: 0.5162424826416712
Energy: 0.5172375484992535
Energy: 0.521874369485578
Energy: 0.5266996868101077
Energy: 0.5115292892948892
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Energy: 0.51758148696119
Energy: 0.5269903948729353
Energy: 0.5190872438757158
Energy: 0.5181864149523094
Energy: 0.5248245753575734
Energy: 0.5165525819191004
Energy: 0.531482026815405
Energy: 0.5182879715922132
Energy: 0.5228206876372281
Energy: 0.5203742304998447
Energy: 0.5100276049985565
Energy: 0.5352769360077977
Energy: 0.523044993453106
Energy: 0.525020011885782
Energy: 0.5204370613080179
Energy: 0.5111273328815689
Energy: 0.5336305790234208
Energy: 0.5190565978352725
Energy: 0.5091153595047206
Energy: 0.5137771682646283
Energy: 0.5245037274013769
Energy: 0.5145420241927905
Energy: 0.51672539474071
Energy: 0.5099761291449805
Energy: 0.5153080648766408
Energy: 0.5239024948954054
Energy: 0.5135415726872883
Energy: 0.5135510906529639
Energy: 0.5190654141484463
Energy: 0.5253346968760141
Energy: 0.5134060453699048
Energy: 0.5123246353550618
Energy: 0.5175673244147948
Energy: 0.5152986510413965
Energy: 0.5363936107791513
Energy: 0.5103516149709617
Energy: 0.5127294653869432
Energy: 0.5297004407273438
Energy: 0.5156719381044691
Energy: 0.5273231145214615
Energy: 0.5222903324882561
Energy: 0.5191597764816455
Energy: 0.5301673786625755
Energy: 0.5215840407593594
Energy: 0.5247041973918042
Energy: 0.5206077380135239
Energy: 0.519972469918447

minimum gb energy = 0.5014952924936678 eV
minimum distance =  2.69096133095694 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.8701161167419479
Energy: 0.4737813738681777
Energy: 0.47327125816616467
Energy: 0.47761476258276103
Energy: 0.4707571615713573
Energy: 0.4528770433072633
Energy: 0.4983886006774422
Energy: 0.4797628909767591
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Energy: 0.5102013918175519
Energy: 0.4739135883832475
Energy: 0.46596618238236437
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Energy: 0.48762142091332694
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Energy: 0.4703753860333325
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Energy: 0.5367804154657315
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Energy: 0.46719447399061065
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Energy: 0.4929014338410313
Energy: 0.48250852474852063
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Energy: 0.4649636430451268
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Energy: 0.4856429555134811
Energy: 0.47859790213287245
Energy: 0.4677278145500976
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Energy: 0.46139527146131526
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Energy: 0.4676375246723352
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Energy: 0.4723328680006203
Energy: 0.46466176232195633
Energy: 0.47493977606493604
Energy: 0.48825943294062313
Energy: 0.5561347783355656
Energy: 0.47674680335108405
Energy: 0.4871048819107958
Energy: 0.47062371316422263
Energy: 0.46175701749091685
Energy: 0.4811982679497464
Energy: 0.47902042974630055
Energy: 0.4586311100812585
Energy: 0.4685399624066975
Energy: 0.4615771117602698
Energy: 0.4663326071919394
Energy: 0.4816425726764712
Energy: 0.5051706307965799
Energy: 0.48597306788919525
Energy: 0.46845371630876437
Energy: 0.4813651823903011
Energy: 0.4841568591309787
Energy: 0.4798007606038376
Energy: 0.4803127732430843
Energy: 0.47035142748502123
Energy: 0.48488498063720187
Energy: 0.47469783677311483
Energy: 0.5067545352546876
Energy: 0.4717999179937407
Energy: 0.4881162233341932
Energy: 0.46203957133020507
Energy: 0.47166672484088257
Energy: 0.4753325203961908
Energy: 0.46754267851114456
Energy: 0.4849748399878671
Energy: 0.47920513647255253
Energy: 0.47279796518734973
Energy: 0.46978717641644996
Energy: 0.5157699114418115
Energy: 0.5185717784435444
Energy: 0.45627950938046463
Energy: 0.5559384652994828
Energy: 0.4617517438404105
Energy: 0.5107515497961097
Energy: 0.46508164233517046
Energy: 0.4633702275358718

minimum gb energy = 0.4507821535036534 eV
minimum distance =  2.7414291751155 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.3165205419184015
Energy: 0.3274124953530175
Energy: 0.4049778569762267
Energy: 0.345716906640765
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Energy: 0.33583178193178914
Energy: 0.40695995528706685
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Energy: 0.23144095255215857
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Energy: 0.23359584309510809
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Energy: 0.35225784659497067
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Energy: 0.3719851215469638
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Energy: 0.22231595995772685
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Energy: 0.418118244985046
Energy: 0.3873457451838416
Energy: 0.31525609950157923
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Energy: 0.3707997955108056
Energy: 0.39933809539790754
Energy: 0.38117123128459685
Energy: 0.3222390799391931
Energy: 0.38020472306447356
Energy: 0.3568459650680863
Energy: 0.38828287296165215
Energy: 0.3926579168975893
Energy: 0.2568599830859281
Energy: 0.36808322394980303
Energy: 0.42576801944111803
Energy: 0.4009971230221168
Energy: 0.3476500171449851
Energy: 0.26545407109550256
Energy: 0.31098008538871774
Energy: 0.44602801183141483
Energy: 0.41543691393548043
Energy: 0.22892629163360276
Energy: 0.23080589502748278
Energy: 0.3873721783152885
Energy: 0.45197231600276155
Energy: 0.4204148762019093
Energy: 0.2528635148160707
Energy: 0.2546317012692003
Energy: 0.4020746775142765
Energy: 0.433249528380241
Energy: 0.3951763047099125
Energy: 0.3755307269457471
Energy: 0.3694888418110341
Energy: 0.4141622901446215
Energy: 0.39378051320019414
Energy: 0.377189531336736
Energy: 0.3439383967909349
Energy: 0.36262217237716776
Energy: 0.4210029160070999
Energy: 0.4357711880342321
Energy: 0.39481717547390066
Energy: 0.3230351078775019
Energy: 0.388285769808554
Energy: 0.41366190399444297
Energy: 0.3850334966348488
Energy: 0.3859222399695675
Energy: 0.22137418209123974
Energy: 0.40469364129998064
Energy: 0.41407199679265333
Energy: 0.42379916677555296
Energy: 0.3202795601200371

minimum gb energy = 0.19705067812414512 eV
minimum distance =  2.76140320215574 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.755920357275344
Energy: 0.4094482865759867
Energy: 0.44232509466391684
Energy: 0.44273880493375517
Energy: 0.40099703750852755
Energy: 0.4311549695891609
Energy: 0.413893256383506
Energy: 0.44000059051438833
Energy: 0.4448167304360197
Energy: 0.40136930384067493
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Energy: 0.41746430137689233
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Energy: 0.41632946140968724
Energy: 0.4231509230504254
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Energy: 0.4279808119123513
Energy: 0.44656956204760995
Energy: 0.39716745580653584
Energy: 0.4263157137762311
Energy: 0.426408033870864
Energy: 0.4299543035625725
Energy: 0.5015263133387086
Energy: 0.3965335772125654
Energy: 0.4536017077424485
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Energy: 0.4273142124269941
Energy: 0.42230250969365224
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Energy: 0.4588218129281164
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Energy: 0.4278374147600615
Energy: 0.41528815130565405
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Energy: 0.43430863329197533
Energy: 0.4438915696458786
Energy: 0.40375151529017245
Energy: 0.4348992140089575
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Energy: 0.4442401461733942
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Energy: 0.48667917265655003
Energy: 0.4129685298402767
Energy: 0.4252456420650106
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Energy: 0.45003279696745346
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Energy: 0.40677607908591135
Energy: 0.4031728278878904
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Energy: 0.39689833559098847
Energy: 0.39818297744720826
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Energy: 0.4038102202458806
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Energy: 0.3971755943601824
Energy: 0.39811427771038155
Energy: 0.42220688029276704
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Energy: 0.45095555533439685
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Energy: 0.40385099514542516
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Energy: 0.40338859466621574
Energy: 0.45505892296740674
Energy: 0.4023157510603822
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Energy: 0.4035582657522714
Energy: 0.4044807477168865
Energy: 0.4228652263338212
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Energy: 0.3990737586843001

minimum gb energy = 0.39520392073401206 eV
minimum distance =  2.74902289145535 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 0.5699819722821521
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Energy: 0.5183892357367238
Energy: 0.538594375092243
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Energy: 0.5150140080419751
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Energy: 0.5191001518517524
Energy: 0.5086576371864802
Energy: 0.5161188848866793
Energy: 0.5351322064151057
Energy: 0.5367116996126534
Energy: 0.51704101916321

minimum gb energy = 0.5086576371864802 eV
minimum distance =  2.70959427277444 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 0.630621551051087
Energy: 0.6361402319985484
Energy: 0.6117311957424003
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Energy: 0.6325578082732888
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Energy: 0.6088782377320763
Energy: 0.6227282571053868
Energy: 0.6318190040297823
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minimum gb energy = 0.5973099710524502 eV
minimum distance =  2.6708779450828 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.6144331192408773
Energy: 0.6272224366135674
Energy: 0.6053809034048542
Energy: 0.6328433771957239
Energy: 0.6071059921908567
Energy: 0.61790706823499
Energy: 0.6316938367513539
Energy: 0.6075360073036342
Energy: 0.6329803110550859
Energy: 0.6114097367941855
Energy: 0.5995892224785956
Energy: 0.6458129227254813
Energy: 0.6165611986293682
Energy: 0.5981775545907945
Energy: 0.6113067335932532
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Energy: 0.6807484911976637
Energy: 0.6152881377149464
Energy: 0.6190501395496218
Energy: 0.7023865459288021
Energy: 0.6159043396884762
Energy: 0.6071402152411647
Energy: 0.6044742720282622
Energy: 0.6300662157567265
Energy: 0.8324166346909608
Energy: 0.6237030460188228
Energy: 0.6134088081392088
Energy: 0.6049250021142843
Energy: 0.6053366492079612
Energy: 0.6131772249631043
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Energy: 0.613778570827407
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Energy: 0.6156435619982593
Energy: 0.5992166091086908
Energy: 0.6110306027354343
Energy: 0.6084223622764025
Energy: 0.6146987851063366
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Energy: 0.6213296206777696
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Energy: 0.6164133548131449
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Energy: 0.6174273094617097
Energy: 0.6092222550815918
Energy: 0.7016136617971371
Energy: 0.6187696994591643
Energy: 0.60460477774331
Energy: 0.6188022914221326
Energy: 0.6059820965783473
Energy: 0.7058306958472165
Energy: 0.6225246303846105
Energy: 0.6043621054974478
Energy: 0.6172381835943495
Energy: 0.6456304957814297
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Energy: 0.6091193918702424
Energy: 0.6238078757646912
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Energy: 0.638964478158656
Energy: 0.6129420020015325
Energy: 0.6556955642158204
Energy: 0.6745416798462281
Energy: 0.6358184798157329
Energy: 0.6329767131001495
Energy: 0.6095591562246706
Energy: 0.6143144915413196
Energy: 0.65166989742083
Energy: 0.6339560532910968
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Energy: 0.5938464821221601
Energy: 0.6142086424039296
Energy: 0.6101139727894117
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Energy: 0.6125549089959091
Energy: 0.599367350864079
Energy: 0.6152096798697618
Energy: 0.6072627577564174
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Energy: 0.5992665502640717
Energy: 0.6019218206992526
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Energy: 0.6132282511978435
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Energy: 0.6179070298676393
Energy: 0.6410993109830322
Energy: 0.6231838271448564
Energy: 0.6014828553555397
Energy: 0.6252740288684031
Energy: 0.6172950384556845
Energy: 0.6048476146674747
Energy: 0.6182796048428943
Energy: 0.6024083387022902
Energy: 0.591555009945912
Energy: 0.5933497698052193
Energy: 0.6112461247306203
Energy: 0.635789665948454
Energy: 0.6216403617109455
Energy: 0.6132884783645319
Energy: 0.6050105271608878
Energy: 0.6334407703832962
Energy: 0.6347293798599382
Energy: 0.7068068014619274
Energy: 0.6321297347760083
Energy: 0.6063101968155394
Energy: 0.6061064411589764
Energy: 0.6172482327312332
Energy: 0.6256309329829599
Energy: 0.6141854967957578
Energy: 0.6061977285586526
Energy: 0.6083080887244737
Energy: 0.6395928890520417
Energy: 0.5839534645092838
Energy: 0.6182887854300213
Energy: 0.6136006046153263
Energy: 0.5983431816697827
Energy: 0.6354368482140824
Energy: 0.602330755293346
Energy: 0.6157326393580274
Energy: 0.6163322680951017
Energy: 0.5957397334893414
Energy: 0.6445280214363298
Energy: 0.6471254497364609
Energy: 0.6107870136969908
Energy: 0.6123825819217491
Energy: 0.6238264755127645
Energy: 0.6827303214883526
Energy: 0.6122233670721936
Energy: 0.6098703866387756
Energy: 0.6126636164616853
Energy: 0.6177700300362646
Energy: 0.6721658238292383
Energy: 0.5923677265070347
Energy: 0.619183534864205
Energy: 0.6319158039835727
Energy: 0.6458139226544475
Energy: 0.608239437690101
Energy: 0.6366818336220482
Energy: 0.642416920247345
Energy: 0.6341379839494606
Energy: 0.6309357585338258
Energy: 0.6107505521283645
Energy: 0.6381158506277671
Energy: 0.6089813682708015
Energy: 0.6071795168337026
Energy: 0.6432365362424908
Energy: 0.6052442179607095
Energy: 0.6340571535980477
Energy: 0.6076870255921855
Energy: 0.5936622505854936
Energy: 0.6424498943841938
Energy: 0.6071130638275994
Energy: 0.6348895724650802
Energy: 0.5816439950582045
Energy: 0.6020001272305378
Energy: 0.6096364076544591
Energy: 0.6246476665858698
Energy: 0.6014869025422735
Energy: 0.6257415024120317
Energy: 0.6014771316601434
Energy: 0.6782059649983264
Energy: 0.6226139063916407
Energy: 0.5963626306118898

minimum gb energy = 0.5816439950582045 eV
minimum distance =  2.66706962917045 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.566877319693235
Energy: 0.5800658411422712
Energy: 0.6033176117030158
Energy: 0.6060304311195719
Energy: 0.5764109778572013
Energy: 0.5671009876074946
Energy: 0.5842184728331588
Energy: 0.6019047649120373
Energy: 0.6068208882656871
Energy: 0.5685894472092695
Energy: 0.6274134108200149
Energy: 0.5796967374129299
Energy: 0.5739655368481382
Energy: 0.5895832530586999
Energy: 0.6022600105301361
Energy: 0.6033489672121258
Energy: 0.5788139506631671
Energy: 0.5792950470039728
Energy: 0.592452524089971
Energy: 0.59932667019915
Energy: 0.5897593519773902
Energy: 0.6151647047563666
Energy: 0.580459021749001
Energy: 0.6019698398713734
Energy: 0.6110730000227353
Energy: 0.5973243814328003
Energy: 0.5896525286610944
Energy: 0.5888987905746367
Energy: 0.6041005694755018
Energy: 0.6311945316210914
Energy: 0.6051651247767675
Energy: 0.5939839243522121
Energy: 0.5695403571758018
Energy: 0.5915924908777426
Energy: 0.5792293768696456
Energy: 0.6038581936062464
Energy: 0.5895132828020718
Energy: 0.5763842781380465
Energy: 0.5955213181345875
Energy: 0.5796458118033467
Energy: 0.5995044706231046
Energy: 0.573765408316155
Energy: 0.5770246778389082
Energy: 0.6038356914035731
Energy: 0.5878440015365939
Energy: 0.5925111674624038
Energy: 0.5706006975651774
Energy: 0.5697741111293003
Energy: 0.6002250664651607
Energy: 0.5837111160941466
Energy: 0.5877795716325941
Energy: 0.6096218927971916
Energy: 0.5817954746458611
Energy: 0.5753785367297392
Energy: 0.5788652913935445
Energy: 0.5909977029628878
Energy: 0.6088577463203988
Energy: 0.6037475102845141
Energy: 0.5808474903332651
Energy: 0.5790608337986325
Energy: 0.6022592248866441
Energy: 0.5678492042454699
Energy: 0.5856364102501722
Energy: 0.5921104687830694
Energy: 0.6025116548155393
Energy: 0.5843193894270756
Energy: 0.5671272839295194
Energy: 0.5830862560814487
Energy: 0.5930247685972346
Energy: 0.6130066591594671
Energy: 0.6016112749186787
Energy: 0.6328312471087214
Energy: 0.5999899655552204
Energy: 0.5739337931873502
Energy: 0.5743946579075402
Energy: 0.6072311371796921
Energy: 0.6490686326147198
Energy: 0.5843243600620689
Energy: 0.5737535102382086
Energy: 0.5798708616914781
Energy: 0.5889588444749778
Energy: 0.5784080863841818
Energy: 0.589889202019185
Energy: 0.5758989525889523
Energy: 0.6146058096925622
Energy: 0.5843335152246479
Energy: 0.5872797809874213
Energy: 0.5893227741124019
Energy: 0.5811802619821409
Energy: 0.613387636095295
Energy: 0.5770906071452263
Energy: 0.5842033225822449
Energy: 0.6491971848940143
Energy: 0.624450844142261
Energy: 0.614383107711295
Energy: 0.5769880020131517
Energy: 0.5899880645607616
Energy: 0.6517948919996058
Energy: 0.6101329986969787
Energy: 0.6146664002962247
Energy: 0.58953107438152
Energy: 0.5997343686543067
Energy: 0.6140171179996653
Energy: 0.6256890046092881
Energy: 0.6078109770191571
Energy: 0.5899517324513277
Energy: 0.5914092681041833
Energy: 0.579446146692762
Energy: 0.6327420954171838
Energy: 0.6042397861049319
Energy: 0.5669251213531699
Energy: 0.5811874491937027
Energy: 0.6018674271134318
Energy: 0.616509484869251
Energy: 0.575861052433583
Energy: 0.5668125221251431
Energy: 0.5841295080467557
Energy: 0.6030100888320079
Energy: 0.6081597386827453
Energy: 0.5735935730262189
Energy: 0.622834096587357
Energy: 0.5847387875333543
Energy: 0.5728482559490513
Energy: 0.5898984608655294
Energy: 0.6043353105819063
Energy: 0.6052301581164218
Energy: 0.5773118522151218
Energy: 0.5794761248963446
Energy: 0.5912855285978578
Energy: 0.6062307575730269
Energy: 0.5985691564271161
Energy: 0.6166869717907315
Energy: 0.5829435996807909
Energy: 0.602773465223874
Energy: 0.610532787723723
Energy: 0.5893868360289528
Energy: 0.593393101629676
Energy: 0.5880423341340544
Energy: 0.6054094566822806
Energy: 0.6209201420462748
Energy: 0.6063044941830614
Energy: 0.590921097267159
Energy: 0.5725719579916415
Energy: 0.5900148032729581
Energy: 0.5843168591201134
Energy: 0.6057511218519103
Energy: 0.5905839368453357
Energy: 0.5694186742885525
Energy: 0.5901309277058039
Energy: 0.6268946345553567
Energy: 0.6156771637230969
Energy: 0.5743353068589795
Energy: 0.5793674122837283
Energy: 0.6014246194358083
Energy: 0.5831696733704802
Energy: 0.5912724457284928
Energy: 0.570728277608135
Energy: 0.569931512515847
Energy: 0.6014297014787365
Energy: 0.5833314076474749
Energy: 0.5884850596822508
Energy: 0.6130326490948089
Energy: 0.5866495839347768
Energy: 0.5763568953224484
Energy: 0.5796696143697819
Energy: 0.591651893839331
Energy: 0.6090942399813248
Energy: 0.6026115494324983
Energy: 0.5751336581134936
Energy: 0.5805394545803473
Energy: 0.6297539203469334
Energy: 0.567290069294421
Energy: 0.5942728986226119
Energy: 0.5820376635293281
Energy: 0.6058090610389886
Energy: 0.618397566221757
Energy: 0.5678666088741275
Energy: 0.5870636717575297
Energy: 0.5956710101667794
Energy: 0.6071687979377666
Energy: 0.6032835356111595
Energy: 0.6371807670849087
Energy: 0.5869914595493785
Energy: 0.5724803521138493
Energy: 0.5737230535738745
Energy: 0.6033767135895002
Energy: 0.6494116068078423
Energy: 0.5948073005282479
Energy: 0.5718427468446291
Energy: 0.5767010987078662
Energy: 0.5884070301043574
Energy: 0.5796188561571541
Energy: 0.5876226767458004
Energy: 0.5775733064583368
Energy: 0.5982407372937789
Energy: 0.5847651278128543
Energy: 0.5862462564103409
Energy: 0.5877460552625171
Energy: 0.5799594736552299
Energy: 0.6124709641827548
Energy: 0.5793336536153278
Energy: 0.5808558399040463
Energy: 0.6334826941568752
Energy: 0.6226229841572205
Energy: 0.6155816530437492
Energy: 0.583577013662785
Energy: 0.5838774215382988
Energy: 0.6520307500188542
Energy: 0.6029231476627418
Energy: 0.6142881253495229
Energy: 0.5911715679930418
Energy: 0.5872330924227054
Energy: 0.6116787335526573
Energy: 0.5813499553961778
Energy: 0.6099753806926453
Energy: 0.5895906913851537
Energy: 0.5918870696409416
Energy: 0.5833573416633987
Energy: 0.6024132346884582
Energy: 0.606108373476413

minimum gb energy = 0.5668125221251431 eV
minimum distance =  2.69561727397826 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.9584049503336753
Energy: 0.6441131330027654
Energy: 0.6454021052752831
Energy: 0.6287358302391757
Energy: 0.6434689644346129
Energy: 0.6110936585657383
Energy: 0.6419433812491674
Energy: 0.5972456281716164
Energy: 0.6159757658306874
Energy: 0.6414623209451544
Energy: 0.5901272287308154
Energy: 0.6300560115287437
Energy: 0.6216412258248101
Energy: 0.6273199613895153
Energy: 0.6186532224576567
Energy: 0.5814342163064788
Energy: 0.6312429911746127
Energy: 0.6225469961417486
Energy: 0.6265012221549744
Energy: 0.6088285814335839
Energy: 0.663122203115052
Energy: 0.6447022856977168
Energy: 0.6339592874498072
Energy: 0.6251171232021343
Energy: 0.6800249293392538
Energy: 0.6608862388323549
Energy: 0.6377938947427624
Energy: 0.6396011762711182
Energy: 0.6073130124483497
Energy: 0.6777107882024418
Energy: 0.6132886212678768
Energy: 0.6008528164788475
Energy: 0.6364768104730035
Energy: 0.676965312852966
Energy: 0.6835565696381
Energy: 0.6176029600783676
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Energy: 0.6217546494605887
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Energy: 0.6455668615415744
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Energy: 0.6767376093337708
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Energy: 0.6341448065943429
Energy: 0.6211459060784916
Energy: 0.6147352503884891
Energy: 0.5993629373680173
Energy: 0.6044428791667643
Energy: 0.6715011755208624
Energy: 0.6964594319989962
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Energy: 0.6791077185339297
Energy: 0.7749403629521434
Energy: 0.6022012875401214
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Energy: 0.6019192272413036
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Energy: 0.6384775985013852
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Energy: 0.604595558039483
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Energy: 0.5953410025753839
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Energy: 0.6220385551988807
Energy: 0.6977655805314585
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Energy: 0.6311496357046977
Energy: 0.6026216921124218
Energy: 0.6208195196200522
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Energy: 0.6606627586126165
Energy: 0.6862440376665326
Energy: 0.6196788129247642
Energy: 0.6433425463270812
Energy: 0.6216501511712597
Energy: 0.6138924601856147
Energy: 0.5865453952287937
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Energy: 0.6286514061976913
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Energy: 0.629043573065909
Energy: 0.6304013906149974
Energy: 0.635451751240455
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Energy: 0.6031348024757144
Energy: 0.6042557072200744
Energy: 0.6498414107529383
Energy: 0.6197825903339054
Energy: 0.6120861365980792
Energy: 0.6056336928278613
Energy: 0.6097633870446038
Energy: 0.6953554019161207
Energy: 0.6127035759934871
Energy: 0.626235522554888
Energy: 0.5766217222175573
Energy: 0.6236400336043153
Energy: 0.6934620858656727
Energy: 0.621031942563473
Energy: 0.6103984444766605
Energy: 0.5778123593624459
Energy: 0.6184095630651275
Energy: 0.6616063841794667
Energy: 0.64592954607433
Energy: 0.6769665082994243
Energy: 0.6209653330099483
Energy: 0.6110199450006311
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Energy: 0.6373554181818146
Energy: 0.6315531237209312
Energy: 0.6143550852345486
Energy: 0.6305044823386716
Energy: 0.6309551821280796
Energy: 0.622736668412308
Energy: 0.576367176564765
Energy: 0.6373435752566005
Energy: 0.6114494222882517
Energy: 0.6305072921355648
Energy: 0.6191585915321092
Energy: 0.5727811054033284
Energy: 0.6256512778149159
Energy: 0.6108499858666028
Energy: 0.6107528767524831
Energy: 0.6210191821926899
Energy: 0.6794992795274573
Energy: 0.6577330281658673
Energy: 0.6316148604762595
Energy: 0.6218128807840893
Energy: 0.6317525626229258
Energy: 0.6779084783301433
Energy: 0.6606782145272141
Energy: 0.6333965718131914
Energy: 0.687396451244126
Energy: 0.6783413926449053
Energy: 0.6794131411856964
Energy: 0.6201623591907469
Energy: 0.6362578000191036
Energy: 0.6720357277086676
Energy: 0.6824040129182899
Energy: 0.6264777144811396
Energy: 0.6158882623420475
Energy: 0.5807612703320751
Energy: 0.6281803823850184
Energy: 0.6444875167805668
Energy: 0.6986911017699245
Energy: 0.6716641499966378
Energy: 0.6380720177947052
Energy: 0.6276739697889401
Energy: 0.6448638373926379
Energy: 0.7072685368000471
Energy: 0.659945822487296
Energy: 0.6594817761676266
Energy: 0.6127809845065938
Energy: 0.6920816236926731
Energy: 0.7069395135479792
Energy: 0.618062177213642
Energy: 0.6057630527791369
Energy: 0.606825869569012
Energy: 0.6927298720847326
Energy: 0.6961323635383683
Energy: 0.5995097635552278
Energy: 0.602121067716092
Energy: 0.613041516450649
Energy: 0.6661990420999597
Energy: 0.6120237530085924
Energy: 0.5973218349689356
Energy: 0.5946994822859091
Energy: 0.6139067410396571
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Energy: 0.6021398972659303
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Energy: 0.6297528750694913
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Energy: 0.601676378571362
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Energy: 0.6015901090563192
Energy: 0.6151400301691559
Energy: 0.6952084774191579
Energy: 0.6345834932365496
Energy: 0.6109110966899894
Energy: 0.576822923099997
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Energy: 0.6924707740630568
Energy: 0.6379207813153439
Energy: 0.6142332822334665
Energy: 0.5764341838880548
Energy: 0.6558210079542759
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Energy: 0.6454340840022997
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Energy: 0.6246045680401017
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Energy: 0.6147575080716658
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Energy: 0.6208600358439896
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Energy: 0.6612826660242713
Energy: 0.6292533583870642
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Energy: 0.6101112389806489
Energy: 0.6723391936241753
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Energy: 0.6778566804362002
Energy: 0.6770170112272006
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Energy: 0.5894791058304449
Energy: 0.6804592729017098
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Energy: 0.5790153529158695
Energy: 0.6739708999062878
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Energy: 0.6659896357289069
Energy: 0.8662701744226528
Energy: 0.633229774072146
Energy: 0.7043689627135906
Energy: 0.6936243455236016
Energy: 0.6429719022059961
Energy: 0.6024348551711545
Energy: 0.6738116967631824
Energy: 0.7005085036598278
Energy: 0.6934588354448252
Energy: 0.6330344296573195
Energy: 0.5998318320767461
Energy: 0.6038576582031766
Energy: 0.6579755550018551
Energy: 0.6047663371960275
Energy: 0.5989203515186203
Energy: 0.5975572574169888
Energy: 0.6068044081654238
Energy: 0.6771612150661508
Energy: 0.6062739069101895
Energy: 0.5997707467017757
Energy: 0.5967690538114176
Energy: 0.6135874838604338
Energy: 0.6417431253898825
Energy: 0.6098868077973633
Energy: 0.6043109241549289
Energy: 0.5973738417906458
Energy: 0.6067554943276139
Energy: 0.6411698990580206
Energy: 0.628833268716947
Energy: 0.6031877370818014
Energy: 0.5987191844099321
Energy: 0.6176635216358908
Energy: 0.5966417772056426
Energy: 0.6300285368977667
Energy: 0.6298935487021147
Energy: 0.6353431467408917
Energy: 0.6193126521207927
Energy: 0.6199210043970754
Energy: 0.6226630377603136
Energy: 0.6482071765297197
Energy: 0.642393587060167
Energy: 0.5969022341529114
Energy: 0.6034458475091679
Energy: 0.6334655232160155
Energy: 0.6936347145042515
Energy: 0.6166579558859561
Energy: 0.6127999317051585
Energy: 0.6100503797177291
Energy: 0.650639839141992
Energy: 0.696495421251854
Energy: 0.5973532641298693
Energy: 0.5966104817925092
Energy: 0.596620776934175
Energy: 0.6076570341261512
Energy: 0.6666297842630456
Energy: 0.6126875272199205
Energy: 0.5945363146714581
Energy: 0.6030887945140698
Energy: 0.6163992260695346
Energy: 0.6264995257267149
Energy: 0.6152402830400324
Energy: 0.6022917642876899
Energy: 0.6012107472846719
Energy: 0.6871721931664716
Energy: 0.6836883298379146
Energy: 0.6256350014054491
Energy: 0.5991489881485002
Energy: 0.6284319600287434
Energy: 0.6880001098395722
Energy: 0.6290866547059663
Energy: 0.6324635403975334
Energy: 0.6311855704081035
Energy: 0.6586205514123076
Energy: 0.6372045494846826
Energy: 0.611986057798378
Energy: 0.6080679831899211
Energy: 0.6240458301153533
Energy: 0.6582099129823042
Energy: 0.6380062542444126
Energy: 0.6385481305324182
Energy: 0.6215494009106269

minimum gb energy = 0.5727811054033284 eV
minimum distance =  2.66592210459945 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.7845690822417197
Energy: 0.6709495283088776
Energy: 0.6007634757175793
Energy: 0.6234402765438641
Energy: 0.6137415177676623
Energy: 0.7807409196750659
Energy: 0.6237901669111492
Energy: 0.6036652583890812
Energy: 0.6415278072701818
Energy: 0.6467969442761533
Energy: 0.6048455992801491
Energy: 0.612576111671269
Energy: 0.6362726647594922
Energy: 0.6456233865433108
Energy: 0.6177512510494277
Energy: 0.6022412471468999
Energy: 0.6579222347112849
Energy: 0.6390174260495715
Energy: 0.6164557306567701
Energy: 0.566688779884391
Energy: 0.6022237872566863
Energy: 0.6091386507988621
Energy: 0.6238032476975968
Energy: 0.5614189934866609
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Energy: 0.6007069309367016
Energy: 0.6135575412270485
Energy: 0.6232068691364726
Energy: 0.5598261586316277
Energy: 0.6126503290203339
Energy: 0.5591893197432805
Energy: 0.5604235877906155
Energy: 0.6272471613874904
Energy: 0.6144160991552642
Energy: 0.6125342407106591
Energy: 0.5599730710199698
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Energy: 0.6211180974943197
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Energy: 0.6160227972523361
Energy: 0.5900312048590982
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Energy: 0.5633295180780042
Energy: 0.5590928738212986
Energy: 0.5942368404021902
Energy: 0.5916609936117667
Energy: 0.6165160544688364
Energy: 0.5651413595359625
Energy: 0.5601207486036797
Energy: 0.5929762442254979
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Energy: 0.6033183709080001
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Energy: 0.5672186623615963
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Energy: 0.6217479582213339
Energy: 0.5994908649562201
Energy: 0.782615543883173
Energy: 0.6005914790555478
Energy: 0.5959167813092053
Energy: 0.6051782886623942
Energy: 0.5788301556709284
Energy: 0.6103528813754696
Energy: 0.5994081074787874
Energy: 0.5970090942015235
Energy: 0.605805930578807
Energy: 0.5870348535727665
Energy: 0.6064128538545984
Energy: 0.6122441584508557
Energy: 0.6214291534199661
Energy: 0.57158469196766
Energy: 0.6056987135235837
Energy: 0.6478869123552791
Energy: 0.6087746253801206
Energy: 0.6117875607894409
Energy: 0.5696421216703457
Energy: 0.6064161518107961
Energy: 0.6466448752507316
Energy: 0.5565856079319198
Energy: 0.6233055400383282
Energy: 0.6456817085564467
Energy: 0.6246602485440056
Energy: 0.5961929385529747
Energy: 0.5575467881222371
Energy: 0.6193506063885791
Energy: 0.5889596336770622
Energy: 0.6203464783736733
Energy: 0.5961224989827221
Energy: 0.6391460838647917
Energy: 0.6011769766616101
Energy: 0.5584061591177575
Energy: 0.5982890552409382
Energy: 0.5950025176440707
Energy: 0.6104434654232375
Energy: 0.599374997640399
Energy: 0.5579707983930104
Energy: 0.5963941864417345
Energy: 0.6680262726442496
Energy: 0.5626665547034253
Energy: 0.5755871797934857
Energy: 0.622038065128196
Energy: 0.5918089093205174
Energy: 0.5657705763699338
Energy: 0.5740895497805657
Energy: 0.5794486501553507
Energy: 0.6272764433584784
Energy: 0.5901929824885856
Energy: 0.5638626037254115
Energy: 0.5581054589693861
Energy: 0.5553273962069477
Energy: 0.5657760215038308
Energy: 0.6226959103363194
Energy: 0.5699758709075997
Energy: 0.5568661389214239
Energy: 0.5566831642741763
Energy: 0.5670372128146772
Energy: 0.5943361091127304
Energy: 0.568278893732688
Energy: 0.5667094976005174
Energy: 0.5720082162201572
Energy: 0.6988870355290129
Energy: 0.6492627087874601
Energy: 0.5825119781899277
Energy: 0.5653180856625837
Energy: 0.5619031947415887
Energy: 0.7017515485594038
Energy: 0.6479637984688118
Energy: 0.5911427173531346
Energy: 0.6544534789171689
Energy: 0.6396405771107309
Energy: 0.5890990384439886
Energy: 0.6003503078881103
Energy: 0.5526417011411163
Energy: 0.6527088312432291
Energy: 0.6069568252392848
Energy: 0.6661915424371481
Energy: 0.5977861825363591
Energy: 0.5639452853444549

minimum gb energy = 0.5526417011411163 eV
minimum distance =  2.73348415993416 Angstroms
sigma value = 33