Model name: model_name=EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.86696694791317
cohesive_energy=4.004851223003315
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9516594231744198e-19, 3.07725259562478e-19, 3.7033832241919797e-19, 4.39767044676954e-19, 4.83987119775354e-19, 5.12097308818884e-19, 5.326003632041819e-19, 5.494504548639599e-19, 5.64248158255584e-19, 5.773779957712139e-19, 5.89134767911506e-19, 5.9971073587254e-19, 6.0895529505072e-19, 6.16770712671372e-19, 6.23171408324202e-19, 6.282743409034919e-19, 6.322653628987859e-19, 6.35322315916458e-19, 6.37605417619908e-19, 6.39249250846392e-19, 6.40375581020094e-19, 6.41088549622224e-19, 6.41474674191018e-19, 6.415980417918361e-19, 6.4146345895458e-19, 6.410260647334979e-19, 6.40223374239864e-19, 6.39090635359626e-19, 6.3792104641680595e-19, 6.371952604016039e-19, 6.372401213473559e-19, 6.376422676824899e-19, 6.366361007563379e-19, 6.31283228622144e-19, 6.18682109395734e-19, 5.96512791311076e-19, 5.623768159470719e-19, 5.14721674145376e-19, 4.54620824250768e-19, 3.83234242146264e-19, 2.9742005945258996e-19, 1.9259124446660396e-19, 6.49165122034218e-20, -9.8795818870659e-20, -3.33863169169554e-19, -6.46169051728638e-19, -1.0113675915059639e-18, -1.4627632341924898e-18, -2.07598832997282e-18, -3.0053949735898798e-18, -4.530635085625199e-18, -7.126577798630039e-18, -1.233416455565292e-17, -2.11604274582282e-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: 0.012279316062153578
Energy: -0.2623332509304876
Energy: -0.4051456945194078
Energy: -3.3964956073191224
Energy: -0.34278897378704837
Energy: 0.012350606498456144
Energy: -0.26233325202401653
Energy: 0.48579114134041157
Energy: 0.29560940366698824
Energy: -0.41826661841409507
Energy: -2.9551768542684824
Energy: -0.4510507869045637
Energy: -0.45732302714836576
Energy: 0.3064282442918893
Energy: 0.4541611475829312
Energy: 0.012486302951615956
Energy: -0.45042879762082644
Energy: -3.4535114060597616
Energy: -3.3193514318223123
Energy: -0.4849273886309926
Energy: 0.012486302951615956
Energy: 0.01239076413251006
Energy: -0.3146632507171786
Energy: -3.5988239723264615
Energy: -0.34689724131969696
Energy: -3.067300184251828
Energy: -0.445043656442674
Energy: -0.3096844740598233
Energy: 0.4837393989911548
Energy: -0.4321311548978022
Energy: 0.012350606498456144
Energy: -0.4396122828616442
Energy: -2.98601880290589
Energy: -4.289740221239006
Energy: -0.4275837675289469
Energy: 0.0127985603994512

minimum gb energy = -4.289740221239006 eV
minimum distance =  2.48084610347574 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: -0.7302388712409126
Energy: -2.821678405850659
Energy: -2.918131824416599
Energy: -3.0082174058239692
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Energy: -1.2245222593871898
Energy: -2.7401675258378693
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Energy: -2.0610825241774564
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Energy: -3.3979831931955196
Energy: -2.2976069082029134
Energy: -2.7274373000532
Energy: -2.5800563366375315
Energy: -2.7036512428559476
Energy: -1.518029666389277
Energy: -2.495293722277084
Energy: -3.0906422195657135
Energy: -2.8811099523858306
Energy: -2.038289917132245
Energy: -2.143153470463889
Energy: -1.1366938800424673
Energy: -2.9598661861142235
Energy: -3.030910311990522
Energy: -2.1481198064826175
Energy: -3.0466610729544787
Energy: -2.7092374313452963
Energy: -1.5365332611619675
Energy: -2.7857259245963357
Energy: -2.881421787463755
Energy: -1.1233644866727808
Energy: -3.097877058272763
Energy: -2.62317080046021
Energy: -1.0978351931166945
Energy: -2.433233613101565
Energy: -3.1315508906094363
Energy: -1.4817880533938848
Energy: -3.2589775312715457
Energy: -2.8139681437893533

minimum gb energy = -3.486869434019312 eV
minimum distance =  2.27937710431427 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

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Energy: -1.4825842647231582
Energy: -2.193461935770186
Energy: -1.85735588914649

minimum gb energy = -2.7357162988660244 eV
minimum distance =  2.25767699614987 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

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Energy: -2.0545164886795195
Energy: -2.0709623565436734
Energy: -2.198164133408181
Energy: -1.851405388372129
Energy: -1.956564211416163
Energy: -3.0435447634726165
Energy: -2.047383089901913
Energy: -2.3078631983029907
Energy: -2.895023823903426
Energy: -1.9842417259320446
Energy: -2.0883572696683577
Energy: -3.164590084438558
Energy: -1.880231233148206
Energy: -2.1634842087758135
Energy: -1.9651545217671431
Energy: -1.85648410457345
Energy: -1.9293578349347407

minimum gb energy = -3.168904022195473 eV
minimum distance =  2.25491975603418 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: -0.817103275031387
Energy: -1.7502249614443937
Energy: -1.643151689326229
Energy: -1.1444735058625293
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Energy: -1.6611304753480995
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Energy: -1.7888294695127929
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Energy: -1.0685295568088142
Energy: -1.1487225286779112
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Energy: -1.5347311783468591
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Energy: -0.4496924811032889
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Energy: -0.9534340129236412
Energy: -0.6720624275943401
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Energy: -1.7969047815759818
Energy: -1.5037428184042232
Energy: -0.6530088592809841
Energy: -2.1837218757576116
Energy: -1.7550411554860412
Energy: -0.6545561905297477
Energy: -1.79132284779029
Energy: -1.5341309354721655
Energy: -0.6681375083910509
Energy: -1.8580567084797688
Energy: -1.6809832268809866
Energy: -1.1033135198289339
Energy: -1.8991579090657835
Energy: -1.8515706956638627
Energy: -0.646077126266016
Energy: -1.148381984055404
Energy: -1.3195717081883334
Energy: -1.3324367625147342
Energy: -1.6036067718364302
Energy: -1.0242621350148946
Energy: -0.6880199357044886
Energy: -1.5600169238679045
Energy: -1.7386547210066041
Energy: -1.0041289539272453
Energy: -1.7607985303441673
Energy: -1.5953940879930324
Energy: -0.6868398084897066
Energy: -1.6082225623620126
Energy: -1.883388884256413
Energy: -0.8641968559301358
Energy: -1.6148972538892843
Energy: -1.7270829764888698
Energy: -0.7522064708272139
Energy: -1.47944045329309
Energy: -1.5334734828747383
Energy: -1.0701291072655874
Energy: -1.6161292411019792
Energy: -1.0115055678873743
Energy: -0.7347590423249049
Energy: -1.8737654829081554
Energy: -1.9911123305456728
Energy: -1.0646769952007062
Energy: -1.9570852336153033
Energy: -1.8674991535910372
Energy: -0.8003545402071759
Energy: -1.952760960816762
Energy: -1.8484967811873323
Energy: -1.231340288468465
Energy: -1.9034278852305908
Energy: -1.7332249692766823
Energy: -0.6935392926477719
Energy: -1.3521823278904315
Energy: -1.327720395393654
Energy: -0.7225641255467525
Energy: -1.8743788541977628
Energy: -1.5084318541899941
Energy: -0.8247154806188624
Energy: -1.6710673535487899
Energy: -1.5051211303243095
Energy: -1.2498349255960877
Energy: -1.6294820818949494
Energy: -1.232117659212312

minimum gb energy = -2.1837218757576116 eV
minimum distance =  2.26591253794519 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: -0.6232199555189745
Energy: -2.5699490919792654
Energy: -2.8805286085148594
Energy: -2.0798914834059645
Energy: -2.6398225772835278
Energy: -2.774410757324947
Energy: -1.7246167787182953
Energy: -3.018017764979078
Energy: -2.3366863783096865
Energy: -2.03021167719589
Energy: -2.3334209340589758
Energy: -2.086926082568092
Energy: -2.2899776502652216
Energy: -2.1608318691619397
Energy: -2.353304643644755
Energy: -2.12373977755042
Energy: -2.9162646748752037
Energy: -2.196110299735959
Energy: -2.195264172565767
Energy: -2.415020585998179
Energy: -2.178556066958783
Energy: -2.4581368638052576
Energy: -2.2610031930173435
Energy: -2.3034039842436025
Energy: -1.8881302425945805
Energy: -2.3555802608753242
Energy: -2.335208703800957
Energy: -2.156228061198534
Energy: -2.4944822717160315
Energy: -2.121445239895721
Energy: -2.190666850419001
Energy: -2.9721818452127926
Energy: -3.510885366929947
Energy: -2.053606622553506
Energy: -3.242398381621847
Energy: -3.0203861219216197
Energy: -2.061293308934742
Energy: -3.219002827091046
Energy: -2.8855760270602033
Energy: -2.893605377063572
Energy: -3.1989149780026276
Energy: -3.2548214221456755
Energy: -1.9346889041227293
Energy: -2.7025821393906266
Energy: -3.035219213890027
Energy: -1.2035142226878455
Energy: -3.022708298853874
Energy: -2.1684807822711147
Energy: -2.054175550922924
Energy: -2.912136333897814
Energy: -2.2315861089555615
Energy: -2.434701172721413
Energy: -2.1741786996998083
Energy: -2.0853070791816153
Energy: -1.9566488485829225
Energy: -2.5201469039287048
Energy: -2.2913888842427097
Energy: -2.39562815176518
Energy: -2.273073247091164
Energy: -2.2840413453902175
Energy: -1.8928329918732099
Energy: -2.1243097028172913
Energy: -2.4826323089791718
Energy: -2.227308090546517
Energy: -2.3603498919134207
Energy: -1.9659513391495143
Energy: -1.6791098255428885
Energy: -3.0492350266595967
Energy: -2.663757526460548
Energy: -2.0795538385844585
Energy: -2.539523061914799
Energy: -2.7377759836267157

minimum gb energy = -3.510885366929947 eV
minimum distance =  2.23792915339631 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: -0.9418986863464694
Energy: -2.3800251379079587
Energy: -2.1619644191063006
Energy: -2.093814415729252
Energy: -2.333006446069853
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Energy: -1.6123603973409453
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Energy: -1.9084791258892666
Energy: -2.5272957303146275
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Energy: -1.5167906580059813
Energy: -2.533839082994761
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Energy: -1.4547638575894717
Energy: -2.384307360801302
Energy: -2.4708277226796533
Energy: -2.009302035797137
Energy: -2.5292810174485596
Energy: -2.3167231425841135
Energy: -1.6930190544499057
Energy: -2.364789117067868
Energy: -2.3932547846738874
Energy: -1.4597796057574637
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Energy: -2.2038381738770543
Energy: -2.2226734920812237
Energy: -1.9601433667831933
Energy: -2.293490581023899
Energy: -1.9739000312672936

minimum gb energy = -2.696500230691112 eV
minimum distance =  2.26300946667911 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: -0.2326367309493366
Energy: -1.873796162647833
Energy: -1.5015634457491729
Energy: -1.2476195747112366
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Energy: -1.540134669082073
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Energy: -1.6599012470043424

minimum gb energy = -2.2603396458786778 eV
minimum distance =  2.24944580783436 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

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Energy: -3.1929285387453774
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Energy: -2.276935115841546
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Energy: -3.2699861159645285
Energy: -2.6502430778904182
Energy: -3.2480920296334035
Energy: -2.342899931115839

minimum gb energy = -3.790162256614259 eV
minimum distance =  2.24704308055827 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: -1.582271801914888
Energy: -1.448455263497229

minimum gb energy = -2.3806616793473006 eV
minimum distance =  2.25697148972256 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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minimum gb energy = -3.3258073910025288 eV
minimum distance =  2.26563460953915 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

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minimum gb energy = -3.6467714346625373 eV
minimum distance =  2.30787127855224 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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minimum gb energy = -4.066770139232697 eV
minimum distance =  2.24219199387478 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -2.572629856691108
Energy: -1.3656480745473913
Energy: -2.33910349845388
Energy: -2.6149141745425863
Energy: -2.515937796743679
Energy: -2.8904648994395505
Energy: -3.18627357327256
Energy: -1.6618206292391988
Energy: -3.0836193713531097
Energy: -2.6992445285118647
Energy: -2.2831022894664175
Energy: -2.5126837403312523
Energy: -1.9893345361442702
Energy: -1.0934319322784263
Energy: -1.7442232589755922
Energy: -2.4336951042540975
Energy: -1.4885917250349134
Energy: -1.8736356175588682
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Energy: -1.7158037604439667
Energy: -2.987826629954111
Energy: -1.6144943954085522
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Energy: -2.222816231073683
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Energy: -1.820816638389615
Energy: -1.8569703084524651
Energy: -2.574529629230155
Energy: -1.3095843742266018
Energy: -2.147467819559772
Energy: -1.6613971104330474
Energy: -1.8724114959054015
Energy: -1.536998922941111
Energy: -2.4450996445144124
Energy: -1.8767387435173473
Energy: -1.7254123931365797
Energy: -1.9432818161489678
Energy: -1.6129085473571114
Energy: -1.6644204886358367
Energy: -1.6664117743797664
Energy: -1.799006196211944
Energy: -3.764316459195382
Energy: -1.7365744070219802
Energy: -1.782484137531103
Energy: -2.077868187046773
Energy: -2.6411220287494817
Energy: -1.5659448104382285
Energy: -1.8509624381870824
Energy: -1.6207850440354445
Energy: -1.4498162750286108
Energy: -1.9678960535575325
Energy: -1.7649721499706394
Energy: -1.779033596801134
Energy: -2.079544668469972
Energy: -1.3978606768885342
Energy: -1.6800452884306554
Energy: -2.0192682964622435
Energy: -1.5023848080894828
Energy: -1.8150122990361017
Energy: -2.984074038608538
Energy: -1.6306468984850546
Energy: -1.6266231039516452
Energy: -2.0996670721366706
Energy: -1.9513305215084333
Energy: -1.8195948492783018
Energy: -2.1673122257892574
Energy: -1.6764053529421383
Energy: -1.4079905857574622
Energy: -2.107298675931643
Energy: -2.229956953388355
Energy: -1.8414846917378591
Energy: -2.674492030809795
Energy: -2.0279435467066467
Energy: -1.3041471685370665
Energy: -2.167084365286646
Energy: -1.776455715711509
Energy: -2.0131023029600064
Energy: -1.9704459232003122
Energy: -2.2455023105691794
Energy: -1.375608414782195
Energy: -3.907582944182898
Energy: -2.0456905881929943
Energy: -1.7672489931330069
Energy: -2.374988764000335
Energy: -1.8306144343988442
Energy: -1.4057025418220546
Energy: -1.8743774493593617
Energy: -2.047802592903034
Energy: -2.526182510360903
Energy: -1.999407466754908
Energy: -2.001697909406303
Energy: -1.0195737728822072
Energy: -1.9818631595403262
Energy: -1.9435033110464455
Energy: -1.8269086833267374
Energy: -1.681127231735309
Energy: -1.3746964338205354

minimum gb energy = -3.907582944182898 eV
minimum distance =  2.2308903969692 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: -0.2278204745561455
Energy: -0.715245842618576
Energy: -1.4766751866169805
Energy: -1.555572538323348
Energy: -1.0119407645192318
Energy: -0.5204737645471513
Energy: -1.0607916216405724
Energy: -0.9613625962776914
Energy: -1.2606359977028472
Energy: -1.2919946524920642
Energy: -1.13682114522966
Energy: -1.3610345733166638
Energy: -0.7977184122468343
Energy: -1.0954946065654434
Energy: -1.072370535904855
Energy: -1.29739660216525
Energy: -1.1829129845186312
Energy: -1.668760372583134
Energy: -0.45652843403331383
Energy: -1.729042592860683
Energy: -1.486456133441349
Energy: -1.2707101296679282
Energy: -1.3536890802178487
Energy: -0.6639553746483486
Energy: -0.15098162297261478
Energy: -1.5004117469304923
Energy: -1.2202202542375156
Energy: -1.6167724282167897
Energy: -1.3492073718085398
Energy: -0.8154552917814469
Energy: -1.1182517021658125
Energy: -1.2693993310117981
Energy: -1.1943384001427666
Energy: -1.4306414002753218
Energy: -1.6229961815978886
Energy: -1.3804909912715029
Energy: -1.4398361129712616
Energy: -1.402550700727162
Energy: -1.3885293550059352
Energy: -1.3230609602412913
Energy: -1.419199608506604
Energy: -1.3608370164932844
Energy: -0.6447936856032821
Energy: -0.9252636615546476
Energy: -0.9382267767459777
Energy: -1.318665910308038
Energy: -0.9337773338682485
Energy: -1.668420699521339
Energy: -1.3261237462142657
Energy: -1.626993500243217
Energy: -1.0079935422054278
Energy: -0.7415028077191339
Energy: -1.7575457929847969
Energy: -1.0116227298124454
Energy: -1.626275385360629
Energy: -1.125514967004098
Energy: -0.9979228805617203
Energy: -1.758814572144041
Energy: -1.2601794179607662
Energy: -0.9790393363002209
Energy: -0.8540202496413756
Energy: -1.7046852799801235
Energy: -0.912748960302161
Energy: -1.0648558487259354
Energy: -1.5392841102524577
Energy: -0.9549031532378981
Energy: -1.674482001662293
Energy: -1.4041888183601279
Energy: -1.1382968487832488
Energy: -0.8518274212932114
Energy: -2.1910412222775615
Energy: -1.212869312141373
Energy: -1.2122388618047577
Energy: -1.022862379655528
Energy: -1.9026303524492614
Energy: -1.5144969220224191
Energy: -2.312361447157388
Energy: -1.6035505711803044
Energy: -1.1127769471380071
Energy: -1.4001446286608659
Energy: -0.9595073573709867
Energy: -0.937864721253168
Energy: -1.308528118908262
Energy: -1.274465491097201
Energy: -1.2274991662204482
Energy: -1.3286734458419849
Energy: -1.039763862563416
Energy: -1.4333418659108916
Energy: -1.338213869920527
Energy: -1.1302565239619333
Energy: -1.443165101749429
Energy: -1.0164222983085578
Energy: -2.3211757394019097
Energy: -1.175699508227451
Energy: -1.1864554003909686
Energy: -1.0725453988259368
Energy: -1.2186544749311847
Energy: -1.1540240353192042
Energy: -1.2173217267235608
Energy: -0.8982307815221591
Energy: -1.1697061917231186
Energy: -1.1893973002781009
Energy: -1.126823381480119
Energy: -1.259009341689513
Energy: -1.0747170966633686
Energy: -1.3439505129508507
Energy: -1.264614920343173
Energy: -1.1311812881131968
Energy: -1.2350251526544769
Energy: -1.2421797354677049
Energy: -1.0213578546692685
Energy: -0.6297733860542224
Energy: -1.0944405015967231
Energy: -1.5797601237440966
Energy: -1.5539414524267339
Energy: -1.2235170027718638
Energy: -1.3901043011977752
Energy: -0.8208754535207198
Energy: -1.8340525166513812
Energy: -1.2827522125640727
Energy: -1.284125904159187
Energy: -1.6121217905847565
Energy: -1.3564984337925439
Energy: -0.9555768905591911
Energy: -1.518515332308015
Energy: -1.500488577454734
Energy: -1.4802952111887573
Energy: -1.5866209134807954
Energy: -1.4630212374152167
Energy: -1.5176440016278616
Energy: -1.1400384030641024
Energy: -1.328566925630361
Energy: -1.2219345986295511
Energy: -0.9784261399930952
Energy: -1.4760245984351315
Energy: -0.5674550425598999
Energy: -1.7325214604629313
Energy: -1.1840369828986985
Energy: -1.058497098477446
Energy: -1.4589924345700376
Energy: -1.4820554239340387
Energy: -1.283587732581412
Energy: -1.3854910714293431
Energy: -0.8451150274227591
Energy: -1.6023817512166603
Energy: -1.2889402723501557
Energy: -1.2521981875575234
Energy: -1.0648976658815072
Energy: -1.7233421345781736
Energy: -1.0533605724742516
Energy: -1.0010953472367636
Energy: -1.2466920538861483
Energy: -1.4422197189295456
Energy: -1.8768246493327583
Energy: -2.025530470789849
Energy: -0.9431459947326153
Energy: -1.0912295987607947
Energy: -0.7604552757027117
Energy: -1.3010265135034518
Energy: -1.3823270955284412
Energy: -1.24238558751984
Energy: -1.1346142093994813
Energy: -0.6594971068831217
Energy: -2.3429215600388695
Energy: -1.0922351960998358
Energy: -1.1846213078183525
Energy: -1.269450952316592
Energy: -0.8700514349681158
Energy: -1.030695949755952
Energy: -1.1380372881918457
Energy: -1.2743591659198081
Energy: -1.54929569375999
Energy: -1.2535861736199312
Energy: -1.0212778439624015
Energy: -0.9508736061943822
Energy: -1.071688293915453
Energy: -1.0457387650802632
Energy: -1.0932151344798584
Energy: -1.564351566233358
Energy: -1.0447690080499201
Energy: -0.4256220696371183
Energy: -1.5803407659628226
Energy: -1.4313075296603228
Energy: -1.452962783084692
Energy: -0.8554438510777226
Energy: -1.107580237317971

minimum gb energy = -2.3429215600388695 eV
minimum distance =  2.21205675747048 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -0.5257868675371137
Energy: -2.198418800705564
Energy: -1.1954890979991308
Energy: -1.245261658191569
Energy: -1.0916467662195926
Energy: -0.581508250793859
Energy: -1.176460005549623
Energy: -1.4003336809109141
Energy: -1.1416154424820049
Energy: -1.1939427313419164
Energy: -1.4459271721590328
Energy: -1.2378118576103267
Energy: -0.9513155806222868
Energy: -1.2565015116319374
Energy: -1.2892312663958099
Energy: -1.2979382585819483
Energy: -1.3067167755898348
Energy: -1.0022035629308854
Energy: -0.7080897226492108
Energy: -1.421118283926638
Energy: -1.2027138138479543
Energy: -1.300695597680788
Energy: -1.0927713425559191
Energy: -0.5647595622285341
Energy: -0.6312472442482503
Energy: -1.4576829897234884
Energy: -1.0663583139875987
Energy: -1.1563988409211483
Energy: -1.056487459770583
Energy: -0.6317162877194372
Energy: -1.1223882992740033
Energy: -1.3847501638238129
Energy: -1.1417593945833253
Energy: -1.125874225624141
Energy: -1.1412414120684315
Energy: -0.8468516897552953
Energy: -1.0105361538320756
Energy: -1.7156480470206834
Energy: -1.1787507171965979
Energy: -1.3441397632481835
Energy: -1.0448938093940396
Energy: -1.054302788174777
Energy: -0.900810045037865
Energy: -1.2144092375336868
Energy: -1.116234785064214
Energy: -1.2599777541091028
Energy: -1.2236232948732426
Energy: -0.9365536248562181
Energy: -1.274225703639171
Energy: -1.4095069275891077
Energy: -0.8771683492002723
Energy: -0.674927327784509
Energy: -1.9749886164136783
Energy: -0.8944776699518999
Energy: -0.9993551152800063
Energy: -0.9127339434071142
Energy: -1.0885888190620157
Energy: -0.7376465054338619
Energy: -1.3393216435165187
Energy: -1.2437453985965659
Energy: -1.246119973935836
Energy: -1.1503758022586201
Energy: -1.0010982380957547
Energy: -1.3171702357692803
Energy: -1.2742928710162262
Energy: -1.0532382354663037
Energy: -1.3218289930457743
Energy: -1.2896045208315827
Energy: -0.9840755765989605
Energy: -0.35135401748883105
Energy: -1.3448311809922604
Energy: -1.2529593481171064
Energy: -1.2838633736732086
Energy: -1.2082446341303816
Energy: -2.0884800795504623
Energy: -1.215745396767036
Energy: -1.6889918240780002
Energy: -1.3752832047560448
Energy: -1.1918237126787714
Energy: -1.2699319287062918
Energy: -1.22828787892797
Energy: -0.8519050363736752
Energy: -1.2683125402313928
Energy: -1.2925091509924767
Energy: -1.1195968604741338
Energy: -1.25162210937423
Energy: -1.4171039852538863
Energy: -1.1874809285739985
Energy: -1.072801328663938
Energy: -1.2304330623646946
Energy: -1.086332010961696
Energy: -1.2297117568248757
Energy: -0.510152290542585
Energy: -0.7344298249389009
Energy: -1.3198786270204104
Energy: -1.1909361905513718
Energy: -1.122453915464895
Energy: -1.2179444079161696
Energy: -1.3419211179101902
Energy: -0.9366211315608814
Energy: -1.2693757949336832
Energy: -1.0456864917472137
Energy: -1.251839289707717
Energy: -1.1159484820327152
Energy: -1.272268880937332
Energy: -1.191063927886897
Energy: -1.094102485290344
Energy: -1.136895334774459
Energy: -1.269183366804686
Energy: -1.2753717054495533
Energy: -1.0430219194846075
Energy: -0.6386757154838235
Energy: -1.379794354207749
Energy: -1.2295379433716647
Energy: -1.2019404221488486
Energy: -1.3447195520939375
Energy: -1.2264282116324863
Energy: -0.7679214832084473
Energy: -1.7056343446378601
Energy: -1.0130825506444667
Energy: -0.6250299307930437
Energy: -1.2968612608243684
Energy: -1.3517281824039813
Energy: -1.2010045383392471
Energy: -1.0952608002873472
Energy: -0.8373499606147999
Energy: -0.9773047650028776
Energy: -1.3346466421582897
Energy: -1.0986799403493979
Energy: -1.2826385871310004
Energy: -1.0747475084407445
Energy: -1.2337205784595624
Energy: -0.9519226959520489
Energy: -1.299796510205815
Energy: -1.2171061364669724
Energy: -0.9852391505234357
Energy: -1.1313006472986886
Energy: -0.9370930618207025
Energy: -0.2509939596417581
Energy: -1.4391553519230453
Energy: -1.2573502902670934
Energy: -1.298342454255769
Energy: -1.669980350464388
Energy: -1.3135673310084204

minimum gb energy = -2.198418800705564 eV
minimum distance =  2.22582868201666 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: -0.06845653948623155
Energy: -3.2509991496923987
Energy: -0.8499206870667628
Energy: -0.8404460968632667
Energy: -1.1203250515950967
Energy: -0.3610897627462154
Energy: -1.2192917075675949
Energy: -2.014369117346717
Energy: -1.281925864133282
Energy: -1.1689271863583675
Energy: -1.057255326100498
Energy: -1.1664610138169194
Energy: -1.0742900243269695
Energy: -1.1104816205442516
Energy: -1.2234264337798817
Energy: -1.2185360649636012
Energy: -1.1832449903542992
Energy: -1.1856376251396359
Energy: -0.44721593144530825
Energy: -2.0454304601306115
Energy: -0.9467927741964655
Energy: -1.0704040368633163
Energy: -0.9092513261811588
Energy: -1.2249346649611776
Energy: -0.5095883991801278
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Energy: -1.2153847826335025
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Energy: -2.052630918202193
Energy: -0.8276277898579343
Energy: -1.0922190808763463
Energy: -1.115174325264022
Energy: -1.9562418292235428
Energy: -1.1288325357371867
Energy: -1.1678928098415176
Energy: -1.1116374711441652
Energy: -0.9316015850571546
Energy: -1.5803373448249818
Energy: -0.8319925959537886
Energy: -1.0884585601753058
Energy: -0.7661278277916923
Energy: -0.893508918751988
Energy: -1.228678136642302
Energy: -1.5655857896650822
Energy: -1.5881929765737839
Energy: -1.2163943198994525
Energy: -0.7466688216601471
Energy: -0.8085921986853293
Energy: -1.006516228056416
Energy: -1.0622131695568056
Energy: -1.2901404902788427
Energy: -0.9696504872109629
Energy: -1.9369126971084585
Energy: -1.2128315201329565
Energy: -1.21366959119106
Energy: -1.2239103250331367
Energy: -1.6495399004900297
Energy: -0.8501614977067202
Energy: -2.1800635885893973
Energy: -1.144680160041618
Energy: -1.1751513862777991
Energy: -1.2049912607556887
Energy: -0.7454519685245529
Energy: -1.092292312455725
Energy: -0.8020328017671302
Energy: -1.1669443460731765
Energy: -1.1763915040970299
Energy: -0.99162125330105
Energy: -1.0200296789136472
Energy: -0.7611379141988869
Energy: -0.7349121209506626
Energy: -1.231412478772127
Energy: -1.090524602582505
Energy: -1.119463031364646
Energy: -1.0947128915900912
Energy: -0.4802959414877243
Energy: -2.1273682816524397
Energy: -1.0173267187081807
Energy: -1.081458182704012
Energy: -1.9886037286869038
Energy: -0.9716797080620223
Energy: -1.073677198692912
Energy: -1.1936805911013846
Energy: -1.1133175315308586
Energy: -1.0972096435067886
Energy: -0.7750792097812607
Energy: -1.2710264260669462
Energy: -0.9314364126554782
Energy: -0.8317102300578666
Energy: -0.7067560123673794
Energy: -1.0524088154330682
Energy: -0.7246171902576122
Energy: -0.765892423641795
Energy: -0.48086661942275705
Energy: -1.6277893916490618
Energy: -0.9727565007859476
Energy: -1.067032543850998
Energy: -1.518453855777009
Energy: -1.2583089482402543
Energy: -1.2282377968112383
Energy: -1.5024578436360003
Energy: -1.214190419134116

minimum gb energy = -3.2509991496923987 eV
minimum distance =  2.27104932497266 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: -0.29376024794025635
Energy: -2.1474888959298233
Energy: -2.6329064633944963
Energy: -1.8790576451753445
Energy: -2.591677815880651
Energy: -1.5964960319950823
Energy: -1.7290176320011712
Energy: -2.0672010827282667
Energy: -1.9735842603406706
Energy: -2.0681222824118266
Energy: -1.9971833325440056
Energy: -1.888211902114222
Energy: -1.39731384313583
Energy: -2.422889466663388
Energy: -2.238837286139149
Energy: -1.8431524494903273
Energy: -2.2647504455141134
Energy: -1.5532205080917325
Energy: -1.1346305392882539
Energy: -1.9079103798215218
Energy: -2.7278866066673975
Energy: -1.8114312921297977
Energy: -2.796163004184765
Energy: -1.4265035693100445
Energy: -1.01304847448465
Energy: -1.8989133363883042
Energy: -2.423678507501967
Energy: -0.9792792542194213
Energy: -2.293701103793996
Energy: -1.164946424472364
Energy: -1.8178815954382344
Energy: -2.164011356472259
Energy: -0.6500662697514193
Energy: -0.8426684477566917
Energy: -2.352271312979156
Energy: -2.2063408992799483
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minimum gb energy = -3.071183711453159 eV
minimum distance =  2.20231538299971 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

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minimum gb energy = -6.68075462657815 eV
minimum distance =  2.27256336956448 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

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Energy: -0.769600210908197
Energy: -0.9177287574020908
Energy: -0.7556974445468894
Energy: -0.8220515756062396
Energy: -1.483849122285664
Energy: -0.8412790840978803
Energy: -0.7814006381880378
Energy: -0.8179372472350819
Energy: -1.1662217113065076

minimum gb energy = -2.3634108833482395 eV
minimum distance =  2.23667432865854 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: -1.098879628722658
Energy: -0.6117186774451052
Energy: -0.30297338634588844
Energy: -0.597981306525255
Energy: -0.614195887984776
Energy: -1.114474934719427
Energy: -0.7768416130001445
Energy: -0.8316284705067145
Energy: -0.7894599325893608
Energy: -0.7577218264949658
Energy: -0.7562892149466679
Energy: -0.849300035873556
Energy: -0.8696342116167446
Energy: -0.8510288367689796
Energy: -0.7463587625048214
Energy: -0.8052709102632932
Energy: -0.7864820233932369
Energy: -0.8442590467615034
Energy: -0.5891687031463616
Energy: -0.8649869796306431
Energy: -0.7548757129948058
Energy: -0.7939908262808388
Energy: -0.8512130452790584
Energy: -0.5970678381116562
Energy: -0.6224702595376349
Energy: -0.8439193171046081
Energy: -0.8343446036933855
Energy: -1.0883237862439745
Energy: -0.8275359531963381
Energy: -0.8635051905969838
Energy: -0.8006246059356459
Energy: -0.3029448770044583
Energy: -1.071959687491106
Energy: -1.079336157365872
Energy: -0.8565100577008437
Energy: -0.7890316018871077
Energy: -0.7524994632419136
Energy: -0.7556867199194858
Energy: -0.8654847230775493
Energy: -0.8295187454714669
Energy: -0.591233169599437
Energy: -0.7481216660355452
Energy: -0.7542799699460075
Energy: -0.7537325611237218
Energy: -0.8409104605905108
Energy: -0.8543277260084549
Energy: -0.593720644475092
Energy: -0.7569336843945806
Energy: -0.8582324089771768
Energy: -0.33138499850094166
Energy: -0.8646289050297682
Energy: -0.5479930523877845
Energy: -0.8638396876375659
Energy: -0.8369069625020947
Energy: -1.076085975247202
Energy: -0.8166505724190303
Energy: -0.8642855500283431
Energy: -0.8717496633083373
Energy: -0.8443678349897984
Energy: -0.8981423838390966

minimum gb energy = -1.114474934719427 eV
minimum distance =  2.29840506829363 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.37679302636436185
Energy: -1.0405926034630841
Energy: -1.539149260624153
Energy: -1.6077823559518412
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Energy: -1.168500490596666
Energy: -1.2996975137272766
Energy: -1.061698074839562
Energy: -1.3674353993218737
Energy: -1.9037806303075133

minimum gb energy = -2.672494753113504 eV
minimum distance =  2.21124575588298 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: -0.4316695122741742
Energy: -1.888778012115911
Energy: -1.4011828077094164
Energy: -1.7898419561918426
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Energy: -1.3983608331713662
Energy: -1.230617681320368
Energy: -1.3909783599293064
Energy: -1.507616355203706

minimum gb energy = -2.831810443470431 eV
minimum distance =  2.24852276232139 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

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Energy: -1.746206852506138
Energy: -1.668178571562119
Energy: -1.5042863096993848
Energy: -2.0721441878555495
Energy: -0.6679350702433743
Energy: -1.198227329921794
Energy: -1.6675290605220057
Energy: -1.5497923835386653
Energy: -1.719755843669296
Energy: -2.0727497610459467
Energy: -1.4122750353605233
Energy: -1.4479889004537034
Energy: -1.2787235484865167
Energy: -1.3253449390763214
Energy: -1.175864647574755
Energy: -2.0468277932973873
Energy: -2.841437542409948
Energy: -1.3233395598539417
Energy: -1.748591174003662
Energy: -1.2438098546995542
Energy: -1.5391934438862682
Energy: -1.9599910659002424
Energy: -2.770259306858586
Energy: -2.7589256205277373
Energy: -0.9690630646049173
Energy: -0.8274055722991078
Energy: -1.924953030869606
Energy: -2.811013120253007
Energy: -2.8428751738519074
Energy: -2.9159613218692497
Energy: -2.793857886626504
Energy: -1.5387738539478903
Energy: -2.966606878774031
Energy: -2.955584336838612
Energy: -2.5574261681367663
Energy: -2.7902601251086456
Energy: -1.4473639115162824
Energy: -0.5776542667227973
Energy: -1.6658185614869079
Energy: -2.9007910492752726
Energy: -2.2948126623915734
Energy: -1.4528600383738028
Energy: -1.4453040446407726
Energy: -0.6276666272115018
Energy: -1.6561159453502294
Energy: -2.051041515014814
Energy: -0.5684369152959441
Energy: -2.3941769295948747
Energy: -1.4861991624787942
Energy: -1.6122798652580421
Energy: -1.7494620226434812
Energy: -1.7202373250599834

minimum gb energy = -2.975956510197649 eV
minimum distance =  2.24678419048573 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: -1.8086314428523427
Energy: -1.6695615536589374
Energy: -2.536275518127605
Energy: -2.754456822744649
Energy: -2.4823046892107627
Energy: -1.6598866067959763
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Energy: -2.8255777746445627
Energy: -1.9896029086602258
Energy: -2.3716401092183808
Energy: -3.1685755877446176
Energy: -2.6313147808647126
Energy: -3.6955839099686987
Energy: -2.8929493158586794
Energy: -2.3924276681406638
Energy: -2.4769031098541117
Energy: -2.558129731944873
Energy: -3.1422048392604722
Energy: -3.106261209495353
Energy: -3.017226690643741
Energy: -2.3590383541875575
Energy: -2.525583399874738
Energy: -2.6934024771285268
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Energy: -3.0281370177220417
Energy: -2.7816808946215983
Energy: -2.5833117620375137
Energy: -3.0241860632870594
Energy: -2.751108834741871
Energy: -1.8105267982923074
Energy: -2.6909579112585402
Energy: -1.7742974850407813
Energy: -2.71881265775394
Energy: -1.6945227959212825
Energy: -2.4087694217816273
Energy: -1.6609290429406676
Energy: -2.469484452281061
Energy: -1.6462137636301284
Energy: -1.7712467093994833
Energy: -1.7615455030143672
Energy: -2.4565548206976184
Energy: -2.5720975914265494
Energy: -2.686050159807848
Energy: -2.570165002788904
Energy: -1.6620502450709784
Energy: -2.993663425046409
Energy: -2.5586156612433055
Energy: -2.780874249666156
Energy: -3.4084932023752694
Energy: -2.454381483792114
Energy: -2.8460052674686738
Energy: -2.405797000278047
Energy: -2.44057573363185
Energy: -2.639834876078498
Energy: -2.3840098965417442
Energy: -3.1726596517851977
Energy: -2.4680986698345877
Energy: -2.5521046811500057
Energy: -2.4467773141711247
Energy: -3.4257155285719025
Energy: -2.5917044476323396
Energy: -2.309593744544357
Energy: -2.326109500900158
Energy: -2.5255065658731635
Energy: -2.347508213111305
Energy: -2.0856451059038332
Energy: -2.8625597094505704
Energy: -2.018079478096868
Energy: -2.346632932187881
Energy: -2.8770589277601992
Energy: -1.9697672325490603
Energy: -2.61416980562066
Energy: -2.682681528236451
Energy: -2.0508296442791614
Energy: -2.6825562187550025
Energy: -1.8061533515273953
Energy: -2.420764555358645
Energy: -2.6106449625263775
Energy: -2.6987114113659993
Energy: -1.6292151457601711
Energy: -1.6562204005285968

minimum gb energy = -3.6955839099686987 eV
minimum distance =  2.2127380937638 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: -0.31925979721066516
Energy: -1.1134582774308717
Energy: -1.374487212170515
Energy: -1.2799586109628
Energy: -1.2142662661984396
Energy: -0.3203549727395165
Energy: -1.0293662127375591
Energy: -0.9614149782252108
Energy: -1.2970192135074687
Energy: -0.9140992958980607
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Energy: -1.177079850036284
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Energy: -0.6372291535607236
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Energy: -1.2190213311709674
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Energy: -0.6285602917083022
Energy: -0.688492285622642
Energy: -1.3870418759580183
Energy: -1.319435809124009
Energy: -0.6276646195667855
Energy: -1.010820132979076
Energy: -1.0069291413322305
Energy: -0.8067849051654232
Energy: -0.8020429828110646
Energy: -0.7145426561738947
Energy: -1.0714374483589721
Energy: -1.2897274562694483
Energy: -1.3474777436586698
Energy: -1.2802220329836997
Energy: -0.6838488520177295
Energy: -1.291841082453211
Energy: -0.5210861321647225
Energy: -0.5909317209657156
Energy: -0.4889642043097579
Energy: -0.8254457046499639
Energy: -1.6042552215137693
Energy: -0.9497223397179083
Energy: -0.9232666995988632
Energy: -0.6589414259577033
Energy: -0.746909507180363
Energy: -0.6892001732874389
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Energy: -1.0079282644437162
Energy: -0.9710477893609895
Energy: -1.468575381550113
Energy: -1.0637974542505624
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Energy: -1.0752231646505386
Energy: -1.0514626404120413
Energy: -0.8721894232240401
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Energy: -1.1153462209695455
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Energy: -1.296781324507644
Energy: -1.228546613737709
Energy: -0.6460357597568195
Energy: -0.7353775885487727
Energy: -1.5257753019341895
Energy: -1.362148008535985
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Energy: -0.9613045473559031
Energy: -1.2531790288476004
Energy: -0.7040110325709055
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Energy: -1.55238802982332
Energy: -0.6703241336484497
Energy: -1.5762585388376555
Energy: -1.0021011376982678
Energy: -0.9409453586402264
Energy: -0.8827653328069754
Energy: -0.9910159786502772
Energy: -1.4497855876492478
Energy: -0.8474514023168106
Energy: -1.1110407176320247
Energy: -1.0410761354137286
Energy: -0.8972926746255597
Energy: -1.097595473567244
Energy: -1.1227459834028823
Energy: -0.8691096632161711
Energy: -1.0444197046629096
Energy: -1.6271687886016206
Energy: -1.5367269267228827
Energy: -0.9940801028287765
Energy: -0.9271413827280598
Energy: -1.184606417506344
Energy: -1.1232856447200996
Energy: -1.3769672196044822
Energy: -0.6184741772013927
Energy: -1.1572956317928362
Energy: -1.063368312325767
Energy: -1.2057907087842028
Energy: -0.5245894788290366
Energy: -0.7968580846648674
Energy: -1.1881120336106483
Energy: -0.4468448269256027
Energy: -1.1917544771388957
Energy: -0.31347132700803376
Energy: -1.0529490584731866
Energy: -1.3120346364545123
Energy: -1.1623628608731582
Energy: -1.3521599106986968
Energy: -0.7582743955610755

minimum gb energy = -1.6275070906540015 eV
minimum distance =  2.26358052371529 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.11625888254818818
Energy: -0.22518451530700243
Energy: -0.6173530448503397
Energy: -0.5461836005074461
Energy: -0.4309534781961513
Energy: 0.027969670168518944
Energy: -0.673115527377091
Energy: -0.5053095893365942
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Energy: -0.7007387703522433
Energy: -1.0896123449801134
Energy: -0.5808129685127966
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Energy: -1.1987490105015355
Energy: -0.439426342315695
Energy: -1.019439029741941
Energy: -0.698317024815953
Energy: -0.7665928770669921
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Energy: -0.6100498316122726
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Energy: -0.7420067376952769
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Energy: -0.8080243832394857
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Energy: -0.31546013907740245
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Energy: -0.32024664430211497
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Energy: -0.6789321391804731
Energy: -0.34732956391067915
Energy: -0.6796659116276792
Energy: -1.0638836457541248
Energy: -0.8160663770319463
Energy: -0.6724956431811775
Energy: -0.5826734647820683
Energy: -0.44601958359315824
Energy: -0.5570062591312243
Energy: -0.7891823023334
Energy: -0.3896294564282222
Energy: -0.10945826600120248
Energy: -0.8601479113604232
Energy: -0.38980190997169434
Energy: 0.03485911294121711
Energy: -0.4409103228689024
Energy: -0.41915880692163043
Energy: -0.6146660331734654
Energy: -0.6874639453022786
Energy: -0.9529516313059564
Energy: -0.49295690839161715
Energy: -0.43596031400994256
Energy: -0.5000384802674803
Energy: -0.6999889808466507
Energy: -0.826355996784252
Energy: -1.0257211444001981
Energy: -0.7005203610598106
Energy: -0.8135487632639599
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Energy: -0.3447985570677493
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Energy: -1.055361151351319
Energy: -0.7258432825182694
Energy: -0.7450743447455702
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Energy: -0.9980731297379465
Energy: -0.7463855011717776
Energy: -0.41243398183555663
Energy: -0.7416887292441021
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Energy: -0.6400879149994353
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Energy: -0.27862718453896046
Energy: -0.31488310311186
Energy: -0.8916282074463816
Energy: -0.6079678604770045
Energy: -0.593023195869531
Energy: -0.8456734371522865
Energy: -0.699532063117568
Energy: -0.6634707016224286
Energy: -0.3027200092057172
Energy: -1.141568520831499
Energy: -0.3445045354199109
Energy: -0.8527243312973568
Energy: -0.967336571494626
Energy: -1.0471265978230035
Energy: -0.3008588572734512
Energy: 0.00433636952979493
Energy: -0.6798397852091554
Energy: -1.0302638464357583
Energy: -0.8449063485485545
Energy: -0.6204254740446172
Energy: -0.7615251191819725
Energy: -0.8442615718764073
Energy: -0.5994715167319363
Energy: -0.8891871381259046

minimum gb energy = -1.1987490105015355 eV
minimum distance =  2.27510909668535 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: -1.7587995629006945
Energy: -3.261052927249525
Energy: -2.0416193124177227
Energy: -2.5442202899502377
Energy: -2.5563312299063674
Energy: -2.2408967882079027
Energy: -1.5742697319782335
Energy: -2.7732275316890136
Energy: -3.619828541913654
Energy: -2.1104864673276085
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Energy: -3.401762588977739
Energy: -3.3036326372136218
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Energy: -1.9885470975627189
Energy: -2.394881732930743
Energy: -2.0984347358920177
Energy: -1.8452391511319663
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Energy: -1.882663303015625
Energy: -1.8680026852366745
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Energy: -1.4183096378012263
Energy: -1.7936332812018283
Energy: -1.8659044828766223
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Energy: -1.9899160451609736
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Energy: -1.5251436014872735
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Energy: -2.4553527468762884
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Energy: -2.367388804517489
Energy: -1.5487202681770453
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Energy: -2.056602818533891
Energy: -2.0117638616828604
Energy: -2.866378238279007
Energy: -2.23162293410568
Energy: -2.3386785757803823
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Energy: -3.010868595208021
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Energy: -2.0142120757978206
Energy: -2.082285311102353
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Energy: -1.7793569049447637
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Energy: -2.1373936012972634
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Energy: -2.348755629880085
Energy: -1.4188160210700997
Energy: -1.5735389049293993
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Energy: -1.9841309753840937
Energy: -1.9932079707770352
Energy: -1.7658001952596194
Energy: -1.5807020073603524
Energy: -1.6366121048681312
Energy: -1.5722646560467273
Energy: -2.055668158444224
Energy: -2.3865664933607067
Energy: -2.0888998486889605
Energy: -2.9199993313465638
Energy: -1.9135651020966655
Energy: -2.6886256851224286
Energy: -2.1654204080951196
Energy: -2.2231837581387093
Energy: -2.339076129180851
Energy: -2.673596647658213
Energy: -2.2657618404104123
Energy: -2.356484824197278
Energy: -2.11460764087278
Energy: -2.7487590039423426
Energy: -2.3118600515289662
Energy: -2.033246792923753
Energy: -2.704541419014467
Energy: -2.5403527615384025
Energy: -2.211034103362561
Energy: -1.6523796859422415
Energy: -2.627619349491962
Energy: -2.4198484070512962
Energy: -2.3716194486272917
Energy: -3.152733913173295
Energy: -2.2469253958128093

minimum gb energy = -3.619828541913654 eV
minimum distance =  2.24276332643571 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: -1.1925604440407915
Energy: -1.2113037957721349
Energy: -1.1570257366365413
Energy: -1.5934322116613782
Energy: -1.254012792175836
Energy: -1.5720362123336737
Energy: -1.3178901350107273
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Energy: -1.4142082758341736
Energy: -1.3348093779620824
Energy: -1.0137272701729692
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Energy: -1.4770933626966953
Energy: -1.312168584308205
Energy: -1.2772071427575127
Energy: -1.4717606207038842
Energy: -1.8143749559919609
Energy: -1.8267794571868143
Energy: -1.3841218679057647
Energy: -2.0229925046498303
Energy: -1.3129646742980707
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Energy: -1.3652549603735724
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Energy: -1.5300852286856534
Energy: -1.5429889481818175
Energy: -1.346780315076844
Energy: -1.3457723884271657

minimum gb energy = -2.833421136116245 eV
minimum distance =  2.25627557355633 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

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Energy: -0.9817392256864169
Energy: -1.1669372692124116
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Energy: -2.120484528483243
Energy: -1.2746666958921304
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Energy: -1.731297619365731
Energy: -1.2689623441823048
Energy: -2.3403960456247783
Energy: -1.8336943027264228
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Energy: -1.86334490378565
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Energy: -0.9995138869825372
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Energy: -1.0756087702396713
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Energy: -1.1410616047477387
Energy: -1.3275458806430886
Energy: -1.134666366272669
Energy: -0.8522428439985867
Energy: -1.0776820207651565
Energy: -2.0352339151707532
Energy: -1.3379566547093336
Energy: -2.177181763987236
Energy: -1.2615785161384423
Energy: -1.230397953443579
Energy: -1.1948176670798585
Energy: -1.9946502125767132
Energy: -1.3199107785434558
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Energy: -1.251275767933752
Energy: -1.310165137890146
Energy: -1.2256993555024875
Energy: -1.2442813646848556
Energy: -1.212889937643101

minimum gb energy = -3.405664635375614 eV
minimum distance =  2.23506344192635 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: -0.9482618901945481
Energy: -1.3855866450020566
Energy: -0.9368397385183299
Energy: -0.8694735181175893
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Energy: -1.246728180246844
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Energy: -1.334151033003664
Energy: -1.2737683051369941
Energy: -1.3170495905517376
Energy: -1.0912880525572821
Energy: -1.2655917951391735
Energy: -1.0025093106042553
Energy: -1.3515200698810332
Energy: -1.1888698982203922
Energy: -0.9447087690851003
Energy: -1.3924217890071997
Energy: -1.303018712256181
Energy: -1.2023135084114518
Energy: -1.3639889296325594
Energy: -1.3523396115974535
Energy: -0.9808805914560497
Energy: -1.4043727566615036
Energy: -1.3466196446896384
Energy: -1.0334683300024359
Energy: -1.328648619866902
Energy: -1.2248085795037271
Energy: -1.0569660805100978
Energy: -1.0133409817227241
Energy: -1.4861252888693766

minimum gb energy = -1.5709381552279889 eV
minimum distance =  2.24184547785476 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01389246024971626
Energy: -4.522377153763571
Energy: -3.558633181640533
Energy: -4.466217112153474
Energy: -4.504589642656959
Energy: -1.4903774958906584
Energy: -4.693257248124655
Energy: -4.441493315405142
Energy: -4.457855992402837
Energy: -4.445015435783546
Energy: -4.318881472656275
Energy: -4.515460146879151
Energy: -4.073924482820609
Energy: -4.5008534817887655
Energy: -4.862521807752104
Energy: -4.879487638331785
Energy: -4.465645265962704
Energy: -4.325161442222378
Energy: -4.693257248110865
Energy: -4.418111368807369
Energy: -4.588676801094623
Energy: -4.45890601873474
Energy: -4.3558988474949505
Energy: -4.5165383966112875

minimum gb energy = -4.879487638331785 eV
minimum distance =  2.34245604174221 Angstroms
sigma value = 1