Model name: model_name=EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_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=4.0687795132398605
cohesive_energy=3.92492861332292
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=[1.12213247092092e-19, 1.8597745932145197e-19, 2.3821803064965597e-19, 2.85562350184356e-19, 3.3062517019224e-19, 3.6983844330938997e-19, 4.0327907401423796e-19, 4.3302668757771594e-19, 4.59791048248686e-19, 4.840271741912039e-19, 5.064816797167139e-19, 5.2677164460969e-19, 5.444052006434939e-19, 5.60439784396566e-19, 5.74659102023316e-19, 5.86707470310996e-19, 5.96735493863202e-19, 6.051084689524859e-19, 6.12108378666432e-19, 6.179835603833099e-19, 6.227308097498519e-19, 6.26104993741056e-19, 6.28123736299896e-19, 6.28793446132908e-19, 6.2809169276721595e-19, 6.2585024765625e-19, 6.2178872988906e-19, 6.153656037633539e-19, 6.05784587492034e-19, 5.922606145244399e-19, 5.73946133421186e-19, 5.502611562407639e-19, 5.20407799019442e-19, 4.832260858742039e-19, 4.36557884879052e-19, 3.7654034816941197e-19, 2.98807544417634e-19, 1.99105694660448e-19, 7.351090810352459e-20, -8.49637473363468e-20, -2.8274091713188196e-19, -5.28062998976694e-19, -8.4528435944889e-19, -1.270868936561676e-18, -1.85649013111482e-18, -2.6715494283632994e-18, -3.803567329115999e-18, -5.375238520004639e-18, -7.65379004181408e-18, -1.1115228572505719e-17, -1.65498437585664e-17, -2.4993154402083e-17, -3.914918605179e-17, -6.43240272841686e-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: -1.68098410881603e-21 eV

========================================
theta = 0.0
========================================

Energy: 0.014635657539768431
Energy: 0.25341579869818
Energy: 0.2533317793060464
Energy: 0.5221323828553143
Energy: 0.19311631323663814
Energy: 0.1947174195388589
Energy: 0.015208049574289484
Energy: 0.060147715553116446
Energy: 0.42671704739708877
Energy: 0.0657855715228064
Energy: 0.2500258448382238
Energy: 0.34937560425140907
Energy: 0.015585435617283958
Energy: 0.061209375231415585
Energy: 0.015200412902075286
Energy: 0.42484508784430236
Energy: 0.17669259619254823
Energy: 0.2532749396146378
Energy: 0.06048214354129401
Energy: 0.060821658754295516
Energy: 0.06163722909702236
Energy: 0.016663036646165755
Energy: 0.2511313010579707
Energy: 0.24929196666896702
Energy: 0.41663710567490275
Energy: 0.06008147550855481
Energy: 0.0625630948886016
Energy: 0.015380276884476806
Energy: 0.06029797327727924
Energy: 0.0600693630307958
Energy: 0.06547991346608213
Energy: 0.25004140009757575
Energy: 0.3500922992601281
Energy: 0.015472024322665243
Energy: 0.060818663449479275
Energy: 0.01510284462548037
Energy: 0.41588598840778795
Energy: 0.17537650783639483
Energy: 0.1762485222204526
Energy: 0.42344120134304036
Energy: 0.061107028875020945
Energy: 0.06125206343669859

minimum gb energy = 0.014635657539768431 eV
minimum distance =  2.84711975773023 Angstroms
sigma value = 5


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

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Energy: 0.8270246177572795
Energy: 0.7114632560002702
Energy: 0.670879893604797
Energy: 0.6616917728423154
Energy: 0.6848962805781887
Energy: 0.7454995665729275
Energy: 0.6227340612075116
Energy: 0.6452152323375686
Energy: 0.6298212224326943
Energy: 0.6787064089332602
Energy: 0.6571861383028323
Energy: 0.6322701861844078
Energy: 0.7001549917362175
Energy: 0.6796529570229097
Energy: 0.6737556900637899
Energy: 0.6691564664403014
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Energy: 0.6492934262178464
Energy: 0.6655940420060275
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Energy: 0.65673501921676
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Energy: 0.6401336344325506
Energy: 0.7187045158350469
Energy: 0.6372528547447335
Energy: 0.6550600569064239
Energy: 0.6779813240697183
Energy: 0.6694117921587095
Energy: 0.6594960159449715
Energy: 0.6948620256279242
Energy: 0.6329964682252669
Energy: 0.7122509077833367
Energy: 0.6508603572651304
Energy: 0.6580808074323161
Energy: 0.6506117835719767
Energy: 0.6402311283734483
Energy: 0.6788241683463552
Energy: 0.6211453236569228
Energy: 0.6639209194620437
Energy: 0.6601498336169704
Energy: 0.6606678574835826
Energy: 0.6750270915021482
Energy: 0.6569974124961074
Energy: 0.6600942691017764
Energy: 0.6358173700940624
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Energy: 0.676522927571609
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Energy: 0.6999614064474583
Energy: 0.6950167399485178
Energy: 0.6479393079985514
Energy: 0.6252683504030146
Energy: 0.6564688710090381

minimum gb energy = 0.6140098114970524 eV
minimum distance =  2.5925053375985 Angstroms
sigma value = 401


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

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Energy: 0.7548232998061233
Energy: 0.6626558018214659
Energy: 0.6285356851784792
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Energy: 0.6355062189386503
Energy: 0.6263589756906729
Energy: 0.6199919806713978
Energy: 0.6178211121081922
Energy: 0.6750800513561692
Energy: 0.6956554886389575
Energy: 0.6901606462425497
Energy: 0.6294707436489118
Energy: 0.6256523421349431
Energy: 0.6146508997673995
Energy: 0.6881749788902802
Energy: 0.6853595177095939
Energy: 0.7471758698782391
Energy: 0.6759917673649819
Energy: 0.6254051026839964
Energy: 0.6860776242471668
Energy: 0.6611081914034268
Energy: 0.6826350621947834
Energy: 0.677795289668958
Energy: 0.659087484849721
Energy: 0.6475750712754058
Energy: 0.6738153053850459
Energy: 0.6324058379298344
Energy: 0.6698127685953965
Energy: 0.6974567148127746
Energy: 0.6538918882139719
Energy: 0.6518251463255771
Energy: 0.6711781443394068
Energy: 0.6351602007206529
Energy: 0.6248737548628909
Energy: 0.656966394620811
Energy: 0.6244718156999854
Energy: 0.6409443964125492
Energy: 0.6191558878743366
Energy: 0.6343705194801857
Energy: 0.6617749508312313
Energy: 0.6377526864664892
Energy: 0.6288177227774954
Energy: 0.6366232938361278
Energy: 0.6338409123995307
Energy: 0.6244272715228838
Energy: 0.6486958667039158
Energy: 0.6504274569479362
Energy: 0.6416081065294227
Energy: 0.6557622312437388
Energy: 0.6354902276081904
Energy: 0.6373608274996398
Energy: 0.6305515225955732
Energy: 0.6482408463770623
Energy: 0.6475383108664566
Energy: 0.6399772602934191
Energy: 0.629382500358443
Energy: 0.6871070268300999
Energy: 0.6790144933886093
Energy: 0.7087047565344605
Energy: 0.6563749261452924
Energy: 0.6212124255356258
Energy: 0.635810971214355
Energy: 0.656610461784255
Energy: 0.6802898138272431
Energy: 0.6798172789079086
Energy: 0.6391205818744389
Energy: 0.6803925969395905
Energy: 0.6442285075101047
Energy: 0.6334001042872798
Energy: 0.6356177798287473
Energy: 0.6459699673773321
Energy: 0.6890759046588931
Energy: 0.7282623501290821
Energy: 0.6493947778550193
Energy: 0.6702369581757358
Energy: 0.6392021704575367
Energy: 0.6261491718457466
Energy: 0.627553065983024
Energy: 0.6538491452001736
Energy: 0.6725319410030665
Energy: 0.6875303907521727
Energy: 0.6298964965221885
Energy: 0.6356667935601932
Energy: 0.617005141342786
Energy: 0.6333660815711903
Energy: 0.6819732914565625
Energy: 0.7264590647216607
Energy: 0.6644887909318079
Energy: 0.6218526362233061
Energy: 0.6358296426069425
Energy: 0.6276508103554569
Energy: 0.6783536036052693
Energy: 0.6878513516669897
Energy: 0.658200024237812
Energy: 0.6620529427842227
Energy: 0.6217841659980459
Energy: 0.6429871046460713
Energy: 0.6536685987420695
Energy: 0.7018582165291222
Energy: 0.6509837068817473
Energy: 0.6242548014355683
Energy: 0.6485144520242307
Energy: 0.6499329201963002
Energy: 0.6348556795534986
Energy: 0.6626023084135583
Energy: 0.6477979251651614
Energy: 0.6526351282929983
Energy: 0.6292676633601055
Energy: 0.6387533198827894
Energy: 0.6638335186557452
Energy: 0.6572662198013789
Energy: 0.6389061815636964
Energy: 0.6465922355787213
Energy: 0.6379002425057044

minimum gb energy = 0.6146508997673995 eV
minimum distance =  2.58023280385174 Angstroms
sigma value = 311


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

Energy: 0.6785669508753124
Energy: 0.6345347079154582
Energy: 0.6532494363275864
Energy: 0.6236648019737925
Energy: 0.6082398046776992
Energy: 0.6517215954157298
Energy: 0.6363829290403185
Energy: 0.6325108335235129
Energy: 0.633458924561228
Energy: 0.659642187417137
Energy: 0.627158888461154
Energy: 0.6391162563101438
Energy: 0.631326402960407
Energy: 0.644571733982525
Energy: 0.6295172179358776
Energy: 0.6281104157943412
Energy: 0.6891366655412645
Energy: 0.6192570047212042
Energy: 0.6381783699376525
Energy: 0.6219295670682111
Energy: 0.6294850860445081
Energy: 0.6278480463927911
Energy: 0.6538379458761432
Energy: 0.6611199349991228
Energy: 0.6295646317530409
Energy: 0.680090127704018
Energy: 0.6261212039290845
Energy: 0.6971347661474424
Energy: 0.6483208467621998
Energy: 0.6358286068957498
Energy: 0.6437095795351304
Energy: 0.657806715789754
Energy: 0.630756239258766
Energy: 0.6504801420451617
Energy: 0.6417025392391471
Energy: 0.6349843685007274
Energy: 0.6658921811368508
Energy: 0.6281121194773777
Energy: 0.6520902456438799
Energy: 0.6505270227948892
Energy: 0.6451768722121362
Energy: 0.6827295961716042
Energy: 0.702115349611528
Energy: 0.6284691279734553
Energy: 0.6841312328313512
Energy: 0.6312575117197848
Energy: 0.6565578911737487
Energy: 0.6417199905834287
Energy: 0.6275043896031223
Energy: 0.6431082372124655
Energy: 0.6468112125699432
Energy: 0.6542095772667368
Energy: 0.6868357794370027
Energy: 0.6646516431742348
Energy: 0.6333084663524053
Energy: 0.6453057456306728
Energy: 0.6183392930619674
Energy: 0.6533746157114414
Energy: 0.6815245937732662
Energy: 0.6249450615005808
Energy: 0.6273744909666275
Energy: 0.6229223011161431
Energy: 0.6312196078574129
Energy: 0.6364360159273916
Energy: 0.7229915476555393
Energy: 0.6292192612979427
Energy: 0.6935652888299723
Energy: 0.6788794637646562
Energy: 0.628191525675172
Energy: 0.7051058551209239
Energy: 0.6493518022203647
Energy: 0.6520472840035907
Energy: 0.6298868816670997
Energy: 0.6636974738619459
Energy: 0.6311534435679036
Energy: 0.6206284476484917
Energy: 0.6352701772827369
Energy: 0.6238740027409265
Energy: 0.6573882728808361
Energy: 0.6266249722813908
Energy: 0.6587236700835403
Energy: 0.6296536137877004
Energy: 0.6367132834284889
Energy: 0.6373005549733295
Energy: 0.6847771238518685
Energy: 0.632603609197727
Energy: 0.6384388425154981
Energy: 0.642645765395065
Energy: 0.613795049627299
Energy: 0.6371112151981901
Energy: 0.6385821883704903
Energy: 0.6432403745526232
Energy: 0.6840065767968811
Energy: 0.6283710448992963
Energy: 0.6835108764696948
Energy: 0.6815429693453404
Energy: 0.6941748536225546
Energy: 0.6578116747406049
Energy: 0.6287012143091791
Energy: 0.6348766158274282
Energy: 0.6264095168011851
Energy: 0.6258290046482782
Energy: 0.7063554720255931
Energy: 0.6235120512873527
Energy: 0.6546446521741903
Energy: 0.6372816177598783
Energy: 0.668404590495532
Energy: 0.6308968922300274
Energy: 0.6577663677398776
Energy: 0.664740995659054
Energy: 0.6252747649601267
Energy: 0.6759689588375718
Energy: 0.6679350781354274
Energy: 0.6733761038337511
Energy: 0.6435836173705813
Energy: 0.6350895147411894
Energy: 0.6421738042855418
Energy: 0.7141404899076547
Energy: 0.6299068060439873
Energy: 0.627534642400721
Energy: 0.6675242424633848
Energy: 0.6305213798094899
Energy: 0.650975744752227
Energy: 0.6330380465722061
Energy: 0.6278968212996426
Energy: 0.6389649601635091
Energy: 0.6627888773366337
Energy: 0.6568803247708536
Energy: 0.6776317365825633
Energy: 0.6412604794194083
Energy: 0.676146184546102
Energy: 0.6533110960115698
Energy: 0.6338073515855578
Energy: 0.6344754914259417
Energy: 0.6839957371484271
Energy: 0.6407033363742431
Energy: 0.6707828072333549
Energy: 0.6851850655644466
Energy: 0.6768004633282764
Energy: 0.6733013323955258
Energy: 0.6297956946050548
Energy: 0.6325022164584033
Energy: 0.6241491108783155
Energy: 0.6259485800870613
Energy: 0.692677678922668
Energy: 0.6388957904488815
Energy: 0.6332212424212638
Energy: 0.6306077108380604
Energy: 0.65452383004897
Energy: 0.6290474078061221
Energy: 0.6448881503092307
Energy: 0.6533287763690107
Energy: 0.6173630479370419
Energy: 0.6612853447340449
Energy: 0.6659545708536979
Energy: 0.633319813325731
Energy: 0.641783848473806
Energy: 0.6520381009511117
Energy: 0.6287289207621821
Energy: 0.6236630335724145
Energy: 0.6242277716143082
Energy: 0.631906371429933
Energy: 0.6583826080689315
Energy: 0.6276410640262233
Energy: 0.6648668533502967
Energy: 0.6245712192021136
Energy: 0.6390383632532851
Energy: 0.6742823374893314
Energy: 0.680758333437581
Energy: 0.6016359073992297
Energy: 0.6819155290200594
Energy: 0.6444460938499846
Energy: 0.672934995090359
Energy: 0.6386410190541871
Energy: 0.6674020086936375
Energy: 0.6434507013072414
Energy: 0.6875062341029247
Energy: 0.6400392169165633
Energy: 0.7118065968585526
Energy: 0.6685627015094758
Energy: 0.6835361700011193
Energy: 0.6821793394037292
Energy: 0.6288127002601565
Energy: 0.6313251475028664
Energy: 0.6474978284419552
Energy: 0.6268828083125533
Energy: 0.6901614124903994
Energy: 0.6258764363811165
Energy: 0.6309605243280004
Energy: 0.6244537356180015
Energy: 0.6621910729198377
Energy: 0.6388772166929836
Energy: 0.6603580903697132
Energy: 0.6611966011921186
Energy: 0.6166053689161909
Energy: 0.6335692776061411
Energy: 0.6518324772402311
Energy: 0.6373749128644655
Energy: 0.6284177159658324
Energy: 0.6561030039480186
Energy: 0.6543560401266617
Energy: 0.7205583200226061
Energy: 0.6285195836722091
Energy: 0.6730607401388664
Energy: 0.666179674153625
Energy: 0.6394870868066583
Energy: 0.6829833902382098
Energy: 0.6297267828463063
Energy: 0.6385298635802102
Energy: 0.6635893600745539
Energy: 0.6839622098968112
Energy: 0.6352601659308607
Energy: 0.6724399872550942
Energy: 0.6621259735384892
Energy: 0.6286762275683793
Energy: 0.6212574366758684
Energy: 0.6407929163683665
Energy: 0.6400341295359632
Energy: 0.6337397837527934
Energy: 0.6284258635017164
Energy: 0.6924232796194535
Energy: 0.6785681818099506
Energy: 0.6393386376195146
Energy: 0.6586849407439417
Energy: 0.627049120982845
Energy: 0.6272834733829846
Energy: 0.6246175771163812
Energy: 0.6387143691072784
Energy: 0.6432106014966622
Energy: 0.6294628264212574
Energy: 0.640046991995728
Energy: 0.6328377525680212
Energy: 0.6224609148260717
Energy: 0.6416359350340567
Energy: 0.6486102320114762
Energy: 0.6401262459274754
Energy: 0.6506337085126713
Energy: 0.643710102345445
Energy: 0.6302068695799511
Energy: 0.6252643705497983
Energy: 0.6548157924740766
Energy: 0.6300435797130799
Energy: 0.6403018558492565
Energy: 0.650373367931006
Energy: 0.6475944795381666
Energy: 0.6449114866080924
Energy: 0.6529846006684752
Energy: 0.6516986628193743
Energy: 0.6706781619469143
Energy: 0.6439247632419177
Energy: 0.6496436419400161
Energy: 0.6916722334901846

minimum gb energy = 0.6016359073992297 eV
minimum distance =  2.56943530985029 Angstroms
sigma value = 39


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

Energy: 0.5867867499064159
Energy: 0.7080674382227801
Energy: 0.8222496719402747
Energy: 0.7121735484413695
Energy: 0.6678507392913651
Energy: 0.672411241111242
Energy: 0.5746872640663716
Energy: 0.622732916150827
Energy: 0.6466275665905898
Energy: 0.6747817439872756
Energy: 0.6576954304866456
Energy: 0.6207672705443286
Energy: 0.6234719409267209
Energy: 0.6225202744499453
Energy: 0.624858547160286
Energy: 0.6085983126932198
Energy: 0.6166488227763501
Energy: 0.656926356382704
Energy: 0.6213165493292612
Energy: 0.6249502585309047
Energy: 0.622962063912884
Energy: 0.6183601156512845
Energy: 0.6096174409917637
Energy: 0.6198591550039566
Energy: 0.6218233864092909
Energy: 0.6533728048421372
Energy: 0.6228884489568913
Energy: 0.6689582138519349
Energy: 0.6258290792802962
Energy: 0.6186319696815686
Energy: 0.6532151257893302
Energy: 0.6206110847455317
Energy: 0.6581923005983248
Energy: 0.6226785131425939
Energy: 0.6227835908878602
Energy: 0.5696490549442688
Energy: 0.6212797710695828
Energy: 0.6156779021161041
Energy: 0.6177806757373735
Energy: 0.6493822333675644
Energy: 0.6226627361772942
Energy: 0.6274673336703033
Energy: 0.6192827381724257
Energy: 0.6247457744758258
Energy: 0.6124609997765222
Energy: 0.7030572350558427
Energy: 0.5749597344747585
Energy: 0.5729223556013903
Energy: 0.6265154227709135
Energy: 0.5718285372266125
Energy: 0.6479343279839607
Energy: 0.6663134235560514
Energy: 0.6106622387038126
Energy: 0.6861796091701104
Energy: 0.6238084600966561
Energy: 0.627000897251919
Energy: 0.5717477363195371
Energy: 0.6476907476650186
Energy: 0.6555389620340011
Energy: 0.613729294686282
Energy: 0.60752719749818
Energy: 0.6114350967124345
Energy: 0.627201419740885
Energy: 0.6217794624587623
Energy: 0.6273606932449871
Energy: 0.6168147824674605
Energy: 0.6594100161225438
Energy: 0.6216772570507931
Energy: 0.6241293787381856
Energy: 0.6233880230855473
Energy: 0.6192965727247517
Energy: 0.6083897125091922
Energy: 0.613581132341884
Energy: 0.6091919697626643
Energy: 0.6232513515860029
Energy: 0.6348874742783612
Energy: 0.6732609842089703
Energy: 0.6341012770477652
Energy: 0.6221675466929879
Energy: 0.6075324348531235
Energy: 0.6121111550162276
Energy: 0.6575526593555366
Energy: 0.6216173276608571
Energy: 0.6328527402188769
Energy: 0.5708016365707722
Energy: 0.6202103137285025
Energy: 0.6635904243432046
Energy: 0.621597020343865
Energy: 0.6871561005758409
Energy: 0.6253616995286824
Energy: 0.6254807647893735
Energy: 0.6232291160679694
Energy: 0.6127761742612313
Energy: 0.6164578128062717
Energy: 0.6572462470067887
Energy: 0.5723410279357636
Energy: 0.5735804790506199
Energy: 0.6226083467857697
Energy: 0.569893942637996
Energy: 0.6332188041584309
Energy: 0.612283069814606
Energy: 0.6987548450727261
Energy: 0.5709047685436648
Energy: 0.5726268533465556
Energy: 0.6227622596735756
Energy: 0.5709375349983199
Energy: 0.661577271278348
Energy: 0.654589090034519
Energy: 0.6175455989140055
Energy: 0.6851652639103188
Energy: 0.672749047718131
Energy: 0.5722816746584345
Energy: 0.6224902877427918
Energy: 0.6457038790575577
Energy: 0.6687805576159898
Energy: 0.6574430168589085
Energy: 0.6205546574849269
Energy: 0.6232787509231438
Energy: 0.6225998820688196
Energy: 0.6244338738848375
Energy: 0.608326363282005
Energy: 0.6162360786731699
Energy: 0.6568891243854885
Energy: 0.621579137018962
Energy: 0.6253905199677832
Energy: 0.623153952629972
Energy: 0.6184518035996512
Energy: 0.6078584818410574
Energy: 0.6132397006476272
Energy: 0.6218920130916941
Energy: 0.6536602237570949
Energy: 0.6221440808262658
Energy: 0.6685995478907475
Energy: 0.6254528606984966
Energy: 0.6185723663062169
Energy: 0.6533624691688054
Energy: 0.6207606476613808
Energy: 0.6508185394910303
Energy: 0.6232274217687793
Energy: 0.6231235759717689
Energy: 0.5697109187836045
Energy: 0.621632025277211
Energy: 0.6155825699809107
Energy: 0.6166814574771333
Energy: 0.651671152565668
Energy: 0.5701193908387178
Energy: 0.638614885609777
Energy: 0.6193990543732673
Energy: 0.6368831325417432
Energy: 0.6125593404768096
Energy: 0.6628531743276815
Energy: 0.5746701501625655
Energy: 0.5732582312528411
Energy: 0.6265588662399434
Energy: 0.5714356369726215
Energy: 0.6506385273276943
Energy: 0.6664750706411482
Energy: 0.6086955742893397
Energy: 0.68568095609368
Energy: 0.6243001354265776
Energy: 0.6210245141453011
Energy: 0.5720123147231979
Energy: 0.6475948037477484
Energy: 0.6557037331521166
Energy: 0.6088731593273247
Energy: 0.6221303042177586
Energy: 0.6122404897993009
Energy: 0.6402335038415377
Energy: 0.6218304545806842
Energy: 0.637686783920319
Energy: 0.6153499841273418
Energy: 0.6538473731148567
Energy: 0.6214818769329726
Energy: 0.6230406122120834
Energy: 0.6233789080132197
Energy: 0.6195310774096598
Energy: 0.6096194807533035
Energy: 0.6129673078794057
Energy: 0.609383760276312
Energy: 0.6233271477614939
Energy: 0.6156052408093236
Energy: 0.6739239208063913
Energy: 0.6338055774620437
Energy: 0.6221806336918916
Energy: 0.6074189267851783
Energy: 0.6255261228900687
Energy: 0.6575960170826657
Energy: 0.6217828087443548
Energy: 0.6339034977945531
Energy: 0.570989564764459
Energy: 0.62009257588219
Energy: 0.6738609662562575
Energy: 0.6190172224160938
Energy: 0.6862829926078337
Energy: 0.6244886225026809
Energy: 0.6229488402581858
Energy: 0.6230877307862791
Energy: 0.6138334259910322
Energy: 0.6165410670707263
Energy: 0.6579799501865973
Energy: 0.5723258139669547
Energy: 0.5737701233425833
Energy: 0.6228813808664456
Energy: 0.5700372457643391
Energy: 0.6350935461128612
Energy: 0.6125441213018447
Energy: 0.6595510501303183
Energy: 0.570869895808181
Energy: 0.5703561434636962
Energy: 0.6227947682722967

minimum gb energy = 0.5696490549442688 eV
minimum distance =  2.61222719858493 Angstroms
sigma value = 21


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

Energy: 0.8049452347722266
Energy: 0.6926611070936646
Energy: 0.6548040785406638
Energy: 0.8551449071664294
Energy: 0.6917076683202261
Energy: 0.6608106105711777
Energy: 0.7054208127665302
Energy: 0.6617684238449167
Energy: 0.6556030711112859
Energy: 0.6434352402996858
Energy: 0.6462348934997797
Energy: 0.6285947705732298
Energy: 0.6035414256246441
Energy: 0.6590802236508494
Energy: 0.6416731328314672
Energy: 0.595546541774336
Energy: 0.6232782353046781
Energy: 0.6079412378771918
Energy: 0.7929235806852634
Energy: 0.6539529289103051
Energy: 0.6190947719386627
Energy: 0.7610072420242446
Energy: 0.6142896305135394
Energy: 0.6629114480899542
Energy: 0.6265746282845861
Energy: 0.6231591629326056
Energy: 0.6273013146314299
Energy: 0.6416552741731701
Energy: 0.6170043700529549
Energy: 0.6348842837236233
Energy: 0.625395486186402
Energy: 0.5790496943427121
Energy: 0.5896809291115672
Energy: 0.6045452471877962
Energy: 0.62055606056117
Energy: 0.6135763601897245
Energy: 0.6011604748637119
Energy: 0.6404701472648661
Energy: 0.5441660689306086
Energy: 0.628812172648135
Energy: 0.608597538362901
Energy: 0.6229871965563886
Energy: 0.7213657502610977
Energy: 0.6246096706276761
Energy: 0.6047169746859778
Energy: 0.6265503540858516
Energy: 0.6064979073161982
Energy: 0.6134060278356432
Energy: 0.6308688481744988
Energy: 0.6338225124104714
Energy: 0.6145666373774834
Energy: 0.6379287403340884
Energy: 0.6089929260916297
Energy: 0.6175267047257967
Energy: 0.6204419500202935
Energy: 0.624542501558926
Energy: 0.6068677312940383
Energy: 0.6181031622060585
Energy: 0.730256750032797
Energy: 0.6286663220658484
Energy: 0.7342722274577135
Energy: 0.6209970242803727
Energy: 0.6089717006840994
Energy: 0.7315066549066017
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Energy: 0.6027174030690575
Energy: 0.6330289949981261
Energy: 0.6385070294456016
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Energy: 0.702997430768928
Energy: 0.618825836076549
Energy: 0.6147626382836687
Energy: 0.6045881062069849
Energy: 0.6433975066086741
Energy: 0.6233098492540259
Energy: 0.6931985194979622
Energy: 0.6402611558181532
Energy: 0.7270347198917482
Energy: 0.634810283588356
Energy: 0.7073321416972888
Energy: 0.6707334923507742
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Energy: 0.6858972546218054
Energy: 0.6610332118928945
Energy: 0.7365297247030176
Energy: 0.6541542602361391
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Energy: 0.634961278740819
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Energy: 0.7246002473362592
Energy: 0.7361498097656316
Energy: 0.6104266370471916
Energy: 0.6045394781964948
Energy: 0.656362913166097
Energy: 0.6232579119888547
Energy: 0.6112383952237067
Energy: 0.7283230991415427
Energy: 0.7249553187324325
Energy: 0.616186770018173
Energy: 0.6817270030462752
Energy: 0.7089093068286522
Energy: 0.7544708348774197
Energy: 0.7159455519845889
Energy: 0.6097388235431861
Energy: 0.7422847266124015
Energy: 0.613680230133697
Energy: 0.604883291560281
Energy: 0.6303018466015172
Energy: 0.6191944617632978
Energy: 0.6857441250305503
Energy: 0.6379121157131364
Energy: 0.5948229085944976
Energy: 0.6631795450520817
Energy: 0.6066423304805284
Energy: 0.5438896146797075
Energy: 0.5633929418669917
Energy: 0.6517979113977737
Energy: 0.6541050147886004
Energy: 0.6163673873977862
Energy: 0.6139417566617008
Energy: 0.6352336936312862
Energy: 0.5709736286329596
Energy: 0.5719742283890064
Energy: 0.6235965363500653
Energy: 0.6292042803641318
Energy: 0.6221247402764939
Energy: 0.6132999457685093
Energy: 0.6606020213027621
Energy: 0.6222316353440565
Energy: 0.6351165729216189
Energy: 0.6140335114979737
Energy: 0.6263862772003459
Energy: 0.6463274318297808
Energy: 0.6248490112328278
Energy: 0.6104074865746865
Energy: 0.6300775938410209
Energy: 0.5954072334942188
Energy: 0.6193577172826471
Energy: 0.6158290021448536
Energy: 0.6907672583542123
Energy: 0.6238815728141728
Energy: 0.6440952860655914
Energy: 0.747888109341285
Energy: 0.7622981304869427
Energy: 0.6294561393388948
Energy: 0.6871114013271118
Energy: 0.714918454096942
Energy: 0.723937186423898
Energy: 0.6230614285739083
Energy: 0.6133114549961695
Energy: 0.5612985957015622
Energy: 0.606410651380936
Energy: 0.729450475447453
Energy: 0.7609883613308016
Energy: 0.6760484231327236
Energy: 0.7304597980496434
Energy: 0.6205465824644004
Energy: 0.7120394556205784
Energy: 0.7660608018281291
Energy: 0.7728470023204669
Energy: 0.7073037148409861
Energy: 0.6450894152437523
Energy: 0.654148221817335
Energy: 0.7006607188845255
Energy: 0.7496439707957316
Energy: 0.7531869231371616
Energy: 0.6689856797736919
Energy: 0.6707671060372713
Energy: 0.6208394773832613
Energy: 0.6571877562972739
Energy: 0.6287317313139232
Energy: 0.6063002090196552
Energy: 0.7103084374190979
Energy: 0.7626111292406167

minimum gb energy = 0.5438896146797075 eV
minimum distance =  2.5634897120548 Angstroms
sigma value = 113


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

Energy: 0.7423283978299601
Energy: 0.8618984712127195
Energy: 0.7599862444255342
Energy: 0.7674670564358962
Energy: 0.7504268831019187
Energy: 0.7383558610865768
Energy: 0.8222579453026491
Energy: 0.6725384118875207
Energy: 0.8109998720000825
Energy: 0.6767641951152301
Energy: 0.6752828875382778
Energy: 0.6621452591912731
Energy: 0.5819510496423829
Energy: 0.7088810528223485
Energy: 0.7522578087086951
Energy: 0.7291052287232868
Energy: 0.7066521526699633
Energy: 0.6538488537214897
Energy: 0.6428668638537656
Energy: 0.6909807371958157
Energy: 0.8135260616393117
Energy: 0.7209709542836088
Energy: 0.7202018970821524
Energy: 0.7100085473655479
Energy: 0.7614037420931908
Energy: 0.7519604628514162
Energy: 0.7044259766682734
Energy: 0.7221464015486267
Energy: 0.5849283884620844
Energy: 0.7141718387023503
Energy: 0.7133057142371073
Energy: 0.7504525492442589
Energy: 0.6364017640183249
Energy: 0.7165242971048776
Energy: 0.7548058473968904
Energy: 0.649429008784945
Energy: 0.6434469070462825
Energy: 0.6636132493175979
Energy: 0.6941472625723558
Energy: 0.6701883519456504
Energy: 0.6929715042035269
Energy: 0.734224582527668
Energy: 0.6713608072766551
Energy: 0.6637387895829729
Energy: 0.6690570279267716
Energy: 0.6497427942326519
Energy: 0.6826977394963404
Energy: 0.7043363015423055
Energy: 0.6651128954844566
Energy: 0.6352721330388883
Energy: 0.6750774289231031
Energy: 0.6254507058521305
Energy: 0.7524879813883114
Energy: 0.6561061146017227
Energy: 0.7024195135615736
Energy: 0.6549792912070499
Energy: 0.5825323839270381
Energy: 0.6622936283235241
Energy: 0.655400274106417
Energy: 0.6602902487917578
Energy: 0.6776404448924528
Energy: 0.6794107188217098
Energy: 0.6936583287683274
Energy: 0.7263154261960849
Energy: 0.6748643978975785
Energy: 0.7140660986011159
Energy: 0.647625103028065
Energy: 0.634328365084087
Energy: 0.6505237991913129
Energy: 0.6734713510830045
Energy: 0.64709714115575
Energy: 0.6278752376825846
Energy: 0.5943974922240681
Energy: 0.652257272098242
Energy: 0.6374764361391292
Energy: 0.6248784406901314
Energy: 0.7331952772243959
Energy: 0.5841368828202623
Energy: 0.6112105904895072
Energy: 0.6907392455614519
Energy: 0.7129573228303937
Energy: 0.7096249782383859
Energy: 0.7228066283597782
Energy: 0.6395826188050475
Energy: 0.6986835348092924
Energy: 0.622584615779147
Energy: 0.6611062339486479
Energy: 0.7549088033505664
Energy: 0.6662733494732979
Energy: 0.6434443741967475
Energy: 0.6677535762741869
Energy: 0.6907257473580511
Energy: 0.7005825576243242
Energy: 0.6678858658514314
Energy: 0.6671592208571306
Energy: 0.634717338066951
Energy: 0.6733709476576872
Energy: 0.6742344200399678
Energy: 0.6137894985723503
Energy: 0.7599863409826524
Energy: 0.6553174289870578
Energy: 0.6599037564474358
Energy: 0.7037039639769894
Energy: 0.6635725200248257
Energy: 0.6956925176570687
Energy: 0.582365133993628
Energy: 0.738611070188795
Energy: 0.6756772673592383
Energy: 0.6907299163865974
Energy: 0.5831813119613715
Energy: 0.7143737079535211
Energy: 0.7056185923885356
Energy: 0.6724582940985379
Energy: 0.7323152202260387
Energy: 0.6669634104238145
Energy: 0.7002288860708592
Energy: 0.7260829732622722
Energy: 0.7394624724201789
Energy: 0.7364058184099371
Energy: 0.659734394499908
Energy: 0.7310624581139893
Energy: 0.7079078954136435
Energy: 0.7512954763087012
Energy: 0.741354486128471
Energy: 0.6149173747593657
Energy: 0.7355343332054813
Energy: 0.6958026749135195
Energy: 0.8018122469136452
Energy: 0.6902948778562563
Energy: 0.7318474977879572
Energy: 0.6813542114284228
Energy: 0.7131212596427892
Energy: 0.7144229322851124
Energy: 0.7522174503987215
Energy: 0.8013788823902104
Energy: 0.7649055573696644
Energy: 0.761045515919931
Energy: 0.7493683158309851
Energy: 0.7065522860793809
Energy: 0.6644296352527496
Energy: 0.7535516485115644
Energy: 0.7339541957625261
Energy: 0.7225855660999282
Energy: 0.7071078595013942
Energy: 0.6686926897470655
Energy: 0.6235599682533816
Energy: 0.7393650315097196
Energy: 0.7517763105978081
Energy: 0.8090917642651188
Energy: 0.7753244833953777
Energy: 0.6518188432098138
Energy: 0.6901718782952996
Energy: 0.6240689949455555
Energy: 0.8307329378608687
Energy: 0.7066767509274507
Energy: 0.7119401862896679
Energy: 0.7619159759566654
Energy: 0.7689857357899873
Energy: 0.750865957054633
Energy: 0.7382918960120809
Energy: 0.8119514183572464
Energy: 0.6649747566559921
Energy: 0.812389274894674
Energy: 0.7096097656039889
Energy: 0.696701035289269
Energy: 0.7031005769312846
Energy: 0.6252817609279455
Energy: 0.7520974147184915
Energy: 0.6604189565177131
Energy: 0.6942881595025561
Energy: 0.7051137225540139
Energy: 0.6410698906795999
Energy: 0.736694030019904
Energy: 0.702257488982772
Energy: 0.8232876518624919
Energy: 0.7165854886132829
Energy: 0.683575302816106
Energy: 0.742127081382828
Energy: 0.7623288502691979
Energy: 0.7556231994888268
Energy: 0.7038181069256251
Energy: 0.677725498588477
Energy: 0.5954282214668714
Energy: 0.7171756307083478
Energy: 0.7278492492254824
Energy: 0.7502582252383089
Energy: 0.6618657872601431
Energy: 0.7042882933890953
Energy: 0.7552377745170016
Energy: 0.6493568136749469
Energy: 0.6776195217747106
Energy: 0.6632058718860063
Energy: 0.692497358058268
Energy: 0.6758857225373438
Energy: 0.6582398154787795
Energy: 0.7532790656255389
Energy: 0.6703514187012337
Energy: 0.7056724847178321
Energy: 0.6716709738566843
Energy: 0.7138245823697522
Energy: 0.6865963039434444
Energy: 0.7081910185594801
Energy: 0.7020337760761302
Energy: 0.6955372284682787
Energy: 0.6750269734418078
Energy: 0.6628800156064697
Energy: 0.7122270434987691
Energy: 0.6718232640228572
Energy: 0.6585109508892869
Energy: 0.673374115771273
Energy: 0.5864996983271469
Energy: 0.6608433048667327
Energy: 0.6588481452417291
Energy: 0.6425670777014265
Energy: 0.6866851156623708
Energy: 0.6578120293985705
Energy: 0.6907924505846499
Energy: 0.6551051212246635
Energy: 0.6505521920166829
Energy: 0.7113668145851031
Energy: 0.6324474526757128
Energy: 0.6428044420202293
Energy: 0.59264738278968
Energy: 0.6768660299024316
Energy: 0.7262555149134166
Energy: 0.6276853766219684
Energy: 0.6318380318080514
Energy: 0.662481790954838
Energy: 0.6146950145651516
Energy: 0.632622735614518
Energy: 0.703498029565632
Energy: 0.5831859869629317
Energy: 0.610050773408848
Energy: 0.6542068228033212
Energy: 0.7120431837933193
Energy: 0.7153070125168213
Energy: 0.722838647803085
Energy: 0.6561835128242072
Energy: 0.7015667421303969
Energy: 0.6222404358086546
Energy: 0.6629588020840567
Energy: 0.7526103410727708
Energy: 0.6813894819045431
Energy: 0.6712728332422989
Energy: 0.6670089725568369
Energy: 0.6917346023551151
Energy: 0.6994423808959284
Energy: 0.6681181915730771
Energy: 0.6676541652611861
Energy: 0.634216704789877
Energy: 0.672251372490396
Energy: 0.6460459084509518
Energy: 0.6139308154629228
Energy: 0.7620894104158331
Energy: 0.6546145131357886
Energy: 0.6583247220629241
Energy: 0.6330279675165189
Energy: 0.6644342883133625
Energy: 0.6930915220410597
Energy: 0.5834591614358529
Energy: 0.7397238197358356
Energy: 0.6460417926808387
Energy: 0.712518941224614
Energy: 0.6374676762120154
Energy: 0.6640357546954972
Energy: 0.7254182185666852
Energy: 0.6692293894198086
Energy: 0.7150913261693022
Energy: 0.6983892457545048
Energy: 0.7287128647133648
Energy: 0.7398098146375598
Energy: 0.6960530763770455
Energy: 0.7229983104646457
Energy: 0.6612588483411757
Energy: 0.7336021164691866
Energy: 0.7088483125744933
Energy: 0.731417852836798
Energy: 0.7837292345836444
Energy: 0.6166789920469807
Energy: 0.7623504284594219
Energy: 0.754759631687184
Energy: 0.8011642470329537
Energy: 0.6762856038682549
Energy: 0.7322205950425986
Energy: 0.7673456295437042
Energy: 0.6706743440383802
Energy: 0.7752384169349636
Energy: 0.7202775186825636
Energy: 0.8439176501329744
Energy: 0.7622511343808256
Energy: 0.7606498622674701
Energy: 0.7491025141887192
Energy: 0.7079334282319376
Energy: 0.8164345367903004
Energy: 0.7558007931074302
Energy: 0.7349725542396113
Energy: 0.7165229093291886
Energy: 0.6795676114431702
Energy: 0.6965698330937355
Energy: 0.6247187466025037
Energy: 0.7516314273754662
Energy: 0.7513596377218809
Energy: 0.8089845532525872
Energy: 0.7743076125599739
Energy: 0.6862257300017344
Energy: 0.6557245800046301
Energy: 0.6237456051943883
Energy: 0.8274182387268274
Energy: 0.7059668030643762
Energy: 0.7264807969210104
Energy: 0.7633731630045983
Energy: 0.7690751599021756
Energy: 0.7491040226825454
Energy: 0.7028608437245121
Energy: 0.8134687858154099

minimum gb energy = 0.5819510496423829 eV
minimum distance =  2.5392114245525 Angstroms
sigma value = 365


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

Energy: 0.6707885720758856
Energy: 0.8091658773749675
Energy: 0.6259902561206393
Energy: 0.6355770132060277
Energy: 0.6360868974611191
Energy: 0.6537539978920874
Energy: 0.6323489007391039
Energy: 0.637925467752231
Energy: 0.7924714878842442
Energy: 0.6362987576337682
Energy: 0.6334546351636005
Energy: 0.6337708505671809
Energy: 0.6346869580563204
Energy: 0.7912588765505457
Energy: 0.6400192098270399
Energy: 0.8151778414116809
Energy: 0.6347558967920004
Energy: 0.6337581361805199
Energy: 0.6338917598494902
Energy: 0.6336133881579619
Energy: 0.6340141218304522
Energy: 0.6406520855412582
Energy: 0.8152423265593975
Energy: 0.6379209375148679
Energy: 0.6350503801877723
Energy: 0.6356294566672083
Energy: 0.6038970735079523
Energy: 0.6348744752698338
Energy: 0.6623357397876752
Energy: 0.7857648650776407
Energy: 0.647331679906538
Energy: 0.7887136790597681
Energy: 0.6352104787101573
Energy: 0.6462353393031116
Energy: 0.785985725455134
Energy: 0.6417526224140059
Energy: 0.8169749771800279
Energy: 0.62597390015141
Energy: 0.6355166540128957
Energy: 0.6364720070667672
Energy: 0.6038426472175078
Energy: 0.6328460161590705
Energy: 0.6369197827753613
Energy: 0.7973893904878712
Energy: 0.6363496410471167
Energy: 0.6055264868669916
Energy: 0.6322664362985211
Energy: 0.6360039327628234
Energy: 0.7977076075404745
Energy: 0.6356696098068554
Energy: 0.7932012803450503
Energy: 0.6360450404819697
Energy: 0.6042027945755993
Energy: 0.6314979928843611
Energy: 0.635280751926971
Energy: 0.7982145283655625
Energy: 0.6403475918034879
Energy: 0.8159222845787902
Energy: 0.6374055819608019
Energy: 0.6359054079578682
Energy: 0.6368021685637696
Energy: 0.6049155399493097
Energy: 0.6335903944245418
Energy: 0.6677473754007403
Energy: 0.7850024505365643
Energy: 0.6524631326884844
Energy: 0.8013240388574696
Energy: 0.8021237643436384
Energy: 0.6478204165931419
Energy: 0.7865730683179927
Energy: 0.6402389781742769
Energy: 0.8159862629898643
Energy: 0.6373859086218394
Energy: 0.6348692013264617
Energy: 0.6354924736657332
Energy: 0.6044508558801113
Energy: 0.6341747445912848
Energy: 0.6352493817692331
Energy: 0.7968779962998359
Energy: 0.6357118734074179
Energy: 0.6336713421578456
Energy: 0.6036734896147758
Energy: 0.6336945451519929
Energy: 0.7905875874100866
Energy: 0.6363653529270517
Energy: 0.7975818656313922
Energy: 0.636816755298012
Energy: 0.6043485731347162
Energy: 0.6328438406584747
Energy: 0.6361291867236427
Energy: 0.7918605406831376
Energy: 0.6415843790247895
Energy: 0.8175192462269973
Energy: 0.6252976536626262
Energy: 0.6356254152198496
Energy: 0.6363618805038241
Energy: 0.6354854652914281
Energy: 0.6325737331063389
Energy: 0.6624069226250185
Energy: 0.7918855476667672
Energy: 0.6455484861410062
Energy: 0.6345578413573761
Energy: 0.6347213077606942
Energy: 0.6353050721143284
Energy: 0.7541221381261808
Energy: 0.6405617166648324
Energy: 0.8152769111316889
Energy: 0.6378899738930411
Energy: 0.6352261429804336
Energy: 0.6355431589422139
Energy: 0.6050883247322171
Energy: 0.6332166944558276
Energy: 0.640561588153214
Energy: 0.8153568677996685
Energy: 0.6344186406518733
Energy: 0.6351176393709822
Energy: 0.6321187665310118
Energy: 0.6338575048369515
Energy: 0.6338476382067489
Energy: 0.6622995768678842
Energy: 0.7928917868827301
Energy: 0.6364230915419935
Energy: 0.6335075154898082
Energy: 0.6342017466143818
Energy: 0.6349578831523893
Energy: 0.7542212021935962
Energy: 0.6410500648802373
Energy: 0.8175124886655899
Energy: 0.6261888564212765
Energy: 0.6356973136621927
Energy: 0.6362952554665305
Energy: 0.653960557617688
Energy: 0.6324427945693537
Energy: 0.6371772243927805
Energy: 0.7964448692451616
Energy: 0.637137895676924
Energy: 0.6325669387140906
Energy: 0.6335094838009392
Energy: 0.6344062732874549
Energy: 0.7927001955403371

minimum gb energy = 0.6036734896147758 eV
minimum distance =  2.62576011690508 Angstroms
sigma value = 23