Model name: model_name=EAM_Dynamo_Marinica_2007_Fe__MO_466808877130_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.700475549697878
cohesive_energy=4.000384142553119
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014750627884867246
Energy: 1.3003447603020513
Energy: 0.014750627884867246
Energy: 1.3003447603020513
Energy: 0.014750627884601212
Energy: 1.3003447603023506
Energy: 1.3003447603020513
Energy: 0.8367005079319035
Energy: 1.300344760301752
Energy: 0.8366958831013784
Energy: 1.3003447603014526
Energy: 0.8366016763038087
Energy: 0.014750627884867246
Energy: 1.300344760301752
Energy: 0.014750627884867246
Energy: 1.3003447603023506
Energy: 0.014750627884867246
Energy: 1.3003447603023506
Energy: 1.3003447603023506
Energy: 0.8364597692922601
Energy: 1.300344760301752
Energy: 0.8365770824565829
Energy: 1.300344760301752
Energy: 0.8363572175469035
Energy: 0.014750627884601212
Energy: 1.300344760301752
Energy: 0.014750627884867246
Energy: 1.3003447603023506
Energy: 0.014750627884867246
Energy: 1.3003447603023506
Energy: 1.3003447603020513
Energy: 0.8367003191584204
Energy: 1.300344760301752
Energy: 0.8366998655581814
Energy: 1.3003447603023506
Energy: 0.8363207180448258

minimum gb energy = 0.014750627884601212 eV
minimum distance =  2.43349925105836 Angstroms
sigma value = 1


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

Energy: 0.8571789831651361
Energy: -3.3290770134104704
Energy: 0.8571742749267345
Energy: -3.3668141995126737
Energy: 0.8571620246438886
Energy: -3.3635196595809926
Energy: -2.8202189215173563
Energy: -3.7588570348688695
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Energy: -3.8334004573232563
Energy: -2.901889977977677
Energy: -3.8140111293787315
Energy: 0.7350270847586114
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Energy: 0.7350135315044793
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Energy: 0.7387034608262918
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Energy: -2.401694542462552
Energy: -3.2030789432701097
Energy: -3.423935246378416
Energy: -3.0697691646206215
Energy: -3.6008394234542687
Energy: -2.759337972238424
Energy: -3.6369245319543593
Energy: -2.7654548378803834
Energy: -3.7428038714033938
Energy: -2.8086266916249594
Energy: -3.068924313186581
Energy: -3.487217991572245
Energy: -1.6267999176514458
Energy: -3.4374730093871064
Energy: -1.6098722953124616
Energy: -3.4725713739766437
Energy: -3.529591864932434
Energy: -3.1192986834965244
Energy: -3.4851698932297013
Energy: -2.5728108170121256
Energy: -3.7121822958923216
Energy: -2.5253298100355934
Energy: -3.2412082797976027
Energy: -3.4475390654644458
Energy: -2.555903783327821
Energy: -2.9084857014518604
Energy: -3.226836663047657
Energy: -2.8411312827879915
Energy: -3.8024022625376133
Energy: -1.5232145265044066
Energy: -3.1623376632094673
Energy: -1.6920490784051647
Energy: -3.620663685917668
Energy: -1.6854664333834875

minimum gb energy = -3.8334004573232563 eV
minimum distance =  2.31662614408929 Angstroms
sigma value = 33


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

Energy: -2.01737218744055
Energy: -1.4167507945581137
Energy: 0.8284489995936859
Energy: -1.3301128943329232
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Energy: -2.8365959450048766
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Energy: -1.9314114363941144
Energy: -1.950170620236828
Energy: -1.9363716477446973
Energy: -2.0029829691692562

minimum gb energy = -3.4372095792238233 eV
minimum distance =  2.25447431245103 Angstroms
sigma value = 51


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

Energy: -1.6818754084627332
Energy: -1.4309296695609675
Energy: -1.6834488094144682
Energy: -1.3000393924708522
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Energy: -1.4790808938325875
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Energy: 0.76620033059585
Energy: -1.5892540281860812
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Energy: -1.299295953146251
Energy: -1.533155426130138
Energy: -1.3034191323331679
Energy: -1.5311156024094148

minimum gb energy = -3.008746080684556 eV
minimum distance =  2.28585878192409 Angstroms
sigma value = 19


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

Energy: 0.605688076161293
Energy: 0.4000673503675853
Energy: 0.605688152969162
Energy: 0.4000673510892492
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Energy: 0.3711200899485863
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Energy: -1.4341516549877031
Energy: 0.6054241958455859
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Energy: 0.6054099985079533
Energy: -1.0954690037833443
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Energy: -1.0353915493569321
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Energy: -1.1506931447104434

minimum gb energy = -1.9335672576470524 eV
minimum distance =  2.34874681012776 Angstroms
sigma value = 27


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

Energy: 0.12635816896716087
Energy: 0.05572977558732806
Energy: 0.16754782294595327
Energy: 0.05253124626332502
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Energy: 0.6256738098744575
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Energy: -1.4904817678528424
Energy: 0.8726267458031787
Energy: -2.579559528213768
Energy: 0.8726088857336499
Energy: -2.8290137510263773
Energy: -2.382914353257465
Energy: 0.010272668950943219
Energy: 0.0354661153398258
Energy: -0.006532153789712643
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Energy: -2.137992580114976
Energy: 0.7935334399385168
Energy: -1.7634794770517153
Energy: 0.7935334392849143
Energy: -1.5272809377594099

minimum gb energy = -2.8290137510263773 eV
minimum distance =  2.29268050716964 Angstroms
sigma value = 9


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

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Energy: -2.0928870439341947
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Energy: -1.926520503326628
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Energy: -3.0904738774153193
Energy: -2.1119096284240846

minimum gb energy = -5.457464348757546 eV
minimum distance =  2.31539072883244 Angstroms
sigma value = 57


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

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Energy: -2.7540724208909184
Energy: -1.951053941604401
Energy: -1.6169867785543393
Energy: -2.040012501141869
Energy: -1.9766585610345992

minimum gb energy = -3.8637728065486168 eV
minimum distance =  2.33300207263829 Angstroms
sigma value = 11


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

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Energy: -2.5808483832854745
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Energy: -2.7840122704495784
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Energy: -2.9941045062791525
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Energy: -2.254256092820052
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Energy: -2.173605723922498
Energy: -2.6120312910989587
Energy: -2.317235260333358
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Energy: -2.6752482608454717
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Energy: -2.6599162921561383
Energy: -2.359451277502179
Energy: -2.602017335840602
Energy: -2.0317012242164747

minimum gb energy = -3.4852015720518605 eV
minimum distance =  2.27448622798611 Angstroms
sigma value = 41


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

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Energy: -1.7350135618212204
Energy: -1.4350641458651727
Energy: -1.8418928437424158
Energy: -1.4620172004857614

minimum gb energy = -3.0135280691279704 eV
minimum distance =  2.32723264450417 Angstroms
sigma value = 33


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

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Energy: -3.148399237731601

minimum gb energy = -4.468193245843973 eV
minimum distance =  2.26500658358349 Angstroms
sigma value = 67


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

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Energy: -0.24739777378780398

minimum gb energy = -0.6964741546889087 eV
minimum distance =  2.38188307907438 Angstroms
sigma value = 3


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

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Energy: -1.7682566388246854

minimum gb energy = -4.338125182528382 eV
minimum distance =  2.36464944301827 Angstroms
sigma value = 81


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

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Energy: -2.074086227369046
Energy: -1.6021909995613712
Energy: -2.0142108984328058
Energy: -2.1189098333419047
Energy: -2.165334484754545
Energy: -2.3448794347443553
Energy: -2.381723128601546
Energy: -2.4810370764487124
Energy: -2.134981188913066
Energy: -2.7077737082332884
Energy: -1.397573991399808
Energy: -1.0416397579409669
Energy: -1.397573561505764
Energy: -0.9635427673957847
Energy: -1.3975729542203463
Energy: -1.0413880716433956
Energy: -1.6363519551941372
Energy: -0.732439535321072
Energy: -1.6396428996193675
Energy: -0.9973332429162859
Energy: -1.6444771635018394
Energy: -0.7509092715164867
Energy: -1.7325412146268915
Energy: -2.51558548785616
Energy: -1.5619876397589385
Energy: -2.517473380387132
Energy: -1.6352701160448408
Energy: -2.229181677305734
Energy: -1.346084977254169
Energy: -1.2470716278647702
Energy: -1.3999534187790275
Energy: -1.2365170087514987
Energy: -2.0036243801548386
Energy: -1.2480607499447636
Energy: -1.5258995036385568
Energy: -2.0364263755017187
Energy: -1.725751169901652
Energy: -2.120513253810145
Energy: -1.7769080909639625
Energy: -1.7925318304345814
Energy: -0.9746095709307555
Energy: -1.3036966020952079
Energy: -0.9745674442409947
Energy: -1.303696564661553
Energy: -0.9963582478975308
Energy: -1.30369625965564
Energy: -1.1914610712670946
Energy: -2.4060310696483
Energy: -1.280013981417932
Energy: -2.584062979952499
Energy: -1.2182078082367531
Energy: -2.3797028072719075

minimum gb energy = -2.87697773064578 eV
minimum distance =  2.31805233539956 Angstroms
sigma value = 43


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

Energy: -0.28272486488126186
Energy: -0.5174856254568426
Energy: -0.2637817138344515
Energy: -0.5178673884435281
Energy: -0.27158511061426
Energy: -0.5175009331415499
Energy: -0.3755672531258282
Energy: -0.6381876757689988
Energy: -0.3720470439310313
Energy: -0.643661678962118
Energy: -0.3716087157708262
Energy: -0.643810245543448
Energy: -1.4320769830413922
Energy: -0.29470811143233405
Energy: -1.431785824210981
Energy: -0.29353878226749397
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Energy: -0.21146543716288302
Energy: -0.4460132957773764
Energy: -0.8361001263152128
Energy: -0.44732295097159525
Energy: -0.8374588069810484
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Energy: -0.5276160959326284
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Energy: -0.6562388267876408
Energy: -3.9959609191853533
Energy: -0.6557734366496584
Energy: -3.8128179491109515
Energy: -0.6782938574946351
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Energy: -0.2784832086905455
Energy: -0.4466303817359094
Energy: -0.27826640358128907
Energy: -0.4453462214200727
Energy: -0.2780266093489084
Energy: -0.4664266428877584
Energy: -0.7583343782659875
Energy: -0.4438219363662992
Energy: -0.8275592237853283
Energy: -0.44376660807868756
Energy: -0.845841691339117
Energy: -0.5606316026711775
Energy: -0.7634786180061814
Energy: -0.5494173776109529
Energy: -0.7631747329376558
Energy: -0.7300690650953033
Energy: -0.7630620306432606
Energy: -1.021604294971563
Energy: -0.2963238854506284
Energy: -1.0192498548040232
Energy: -0.2957705262306944
Energy: -1.021780678666015
Energy: -0.2972560099256425
Energy: -0.6307830622144065
Energy: -0.6846052261934523
Energy: -0.6359200041191754
Energy: -0.6773558471576422
Energy: -0.5934901804104514
Energy: -0.6666834254486739
Energy: -0.4899599837648354
Energy: -0.6412617443631108
Energy: -0.4434500633629439
Energy: -0.6415032317286592
Energy: -0.44348544028210435
Energy: -0.6423154693746111
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Energy: -0.5348000020530554
Energy: -0.6617086973106072
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Energy: -0.6920689081027168
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Energy: -0.576804942369888
Energy: -0.7299974632229391
Energy: -0.5766450894950056
Energy: -0.7388866358435606
Energy: -0.5777713628243237
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Energy: -0.567595596381852
Energy: -0.6265446833907112
Energy: -0.5659567387127803
Energy: -0.625849492055156
Energy: -0.39636517088056616
Energy: -0.44202951740845287
Energy: -0.3308116711779743
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Energy: -0.4855289318341887
Energy: -0.429104151602469
Energy: -0.48547235712147896
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Energy: -0.6314428793486988
Energy: -0.5676262349615209
Energy: -0.6286174502677156
Energy: -0.5606794012634567
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Energy: -0.570363269013587
Energy: -0.6239545090485439
Energy: -0.5696829736001892
Energy: -0.6308473092776773
Energy: -0.5770749703143825
Energy: -0.6297064249018445
Energy: -0.5243718456499042
Energy: -0.9532815857462686
Energy: -0.4362472055452991
Energy: -0.9542336402681617
Energy: -0.43854686076864663
Energy: -0.9422710287112824
Energy: -0.8518058257480234
Energy: -1.0196641802186972
Energy: -0.8277571480362973
Energy: -0.3406792716075839
Energy: -0.8741224342144108
Energy: -0.3404481928019331
Energy: -0.5810511752246167
Energy: -3.2589292179006106
Energy: -0.5750918526991978
Energy: -0.579532783984319
Energy: -0.6385789590164338
Energy: -3.555984562437274
Energy: -0.4498191407590719
Energy: -0.5439182433232012
Energy: -0.4282477642584543
Energy: -0.5454520303920974
Energy: -0.48120119803618394
Energy: -0.5435801393072862
Energy: -0.31892989315808523
Energy: -0.7761752400849473
Energy: -0.3201072932006593
Energy: -0.7896828222678643
Energy: -0.3197119969101343
Energy: -0.8212208176756071
Energy: -1.0208460152341923
Energy: -0.49487921831383846
Energy: -1.0203033996290343
Energy: -0.49586860262973337
Energy: -1.0209472901943846
Energy: -0.49598983163493804
Energy: -0.5712764633091464
Energy: -0.7679170650810164
Energy: -0.5942027338104767
Energy: -0.7666951665872533
Energy: -0.5444698962978014
Energy: -0.766064797547746
Energy: -0.4410067116731487
Energy: -0.8050692026769395
Energy: -0.44349888676047516
Energy: -0.8430111288445234
Energy: -0.4447096570935618
Energy: -0.8424206448338363
Energy: -0.45005055639541236
Energy: -0.618740330795715
Energy: -0.4699898360134257
Energy: -0.6196282029340021
Energy: -0.46310113901762634
Energy: -0.615621299687302
Energy: -0.6198779574636317
Energy: -0.602692263520442
Energy: -0.6197845510550842
Energy: -0.7197546442071886
Energy: -0.6232697286902683
Energy: -0.719870844324136

minimum gb energy = -3.9959609191853533 eV
minimum distance =  2.38600693617152 Angstroms
sigma value = 57


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

Energy: -0.5832194933762449
Energy: -0.9489810266879674
Energy: -0.7076517685396709
Energy: -0.9351968539467346
Energy: -0.5758828802497203
Energy: -0.9557534599296512
Energy: -0.8289776422068846
Energy: -1.1364602339269425
Energy: -0.8137086458212227
Energy: -1.1384387819622588
Energy: -0.8147735568814699
Energy: -1.1402334163251053
Energy: -1.2216306521907971
Energy: -0.8470138000435434
Energy: -1.2235029509681716
Energy: -0.8654203917390265
Energy: -1.223030304519596
Energy: -0.8657598418676452
Energy: -0.4619917890377352
Energy: -0.96248483171073
Energy: -0.47964515247678596
Energy: -1.0175250000487694
Energy: -0.481616791932453
Energy: -0.9494924033386042
Energy: -1.0807023996089697
Energy: -1.1588977395397262
Energy: -1.1470424489196085
Energy: -1.160405244253513
Energy: -1.1141042341661285
Energy: -1.1561674177004366
Energy: -1.2986270820996861
Energy: -1.023691540453147
Energy: -1.2627927790092555
Energy: -1.015293193290368
Energy: -1.2479634185496953
Energy: -1.017464952952479
Energy: -0.9955203327851416
Energy: -0.58592299444176
Energy: -1.2654481272514375
Energy: -0.6418601998130041
Energy: -0.9615905968013576
Energy: -0.6434181056067134
Energy: -0.6960871000165301
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Energy: -0.6931941378492676
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Energy: -0.6934921151174208
Energy: -1.004622018206793
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Energy: -1.2236166253573852
Energy: -1.105823333673119
Energy: -1.2617909129242553
Energy: -1.1064963937789845
Energy: -1.2076760269122906
Energy: -1.55438509420909
Energy: -0.8866804441316841
Energy: -1.5407798021144565
Energy: -0.8792794466157885
Energy: -1.5543649352180982
Energy: -0.8670210512789595
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Energy: -1.1881994563121905
Energy: -1.0595542781301817
Energy: -1.1866582422802188
Energy: -1.0630217027624
Energy: -1.1876751251167514
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Energy: -1.0747383729552586
Energy: -1.4874803690463796
Energy: -1.0835830146087602
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Energy: -1.085936363003756
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Energy: -1.2027098213210654
Energy: -1.0214577763682973
Energy: -0.9249431402117082
Energy: -0.9503902213184531
Energy: -4.877479633073459
Energy: -0.9578979639069577
Energy: -4.409573550521034
Energy: -0.9406544917833313
Energy: -4.836881718749021
Energy: -0.9428636008101202
Energy: -1.0535486451531084
Energy: -1.022688884892968
Energy: -1.0425214926396082
Energy: -1.0228052822848368
Energy: -1.0440771005870026
Energy: -1.0069519754666518
Energy: -1.5353629132442532
Energy: -0.978296066728386
Energy: -1.536106356186738
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Energy: -1.5361295814044909
Energy: -0.975104709722425
Energy: -1.5401980655094036
Energy: -1.6615698883089045
Energy: -1.5127942954919027
Energy: -1.660930582458127
Energy: -1.5121649745705208
Energy: -1.6606352922265948
Energy: -1.543500778459548
Energy: -0.9648108716702326
Energy: -1.5374403228695217
Energy: -0.9655833733443685
Energy: -1.5371520466827864
Energy: -0.9678054369088943
Energy: -1.1604261120644495
Energy: -1.0658930219787943
Energy: -1.1607183265833318
Energy: -1.0577742679670628
Energy: -1.1593163949265952
Energy: -1.0583098186156736
Energy: -5.116908574449676
Energy: -0.9261269525169387
Energy: -4.478205845043792
Energy: -1.0047061054077953
Energy: -5.237478619875519
Energy: -0.9351513047302829
Energy: -1.3174032056707339
Energy: -1.394221739917044
Energy: -1.0719161026628987
Energy: -1.3939259114140943
Energy: -1.07305055934224
Energy: -1.3932975589703644
Energy: -1.397894969060255
Energy: -1.1743747559593902
Energy: -1.4018450843457562
Energy: -1.0794960513596439
Energy: -1.4144562627913284
Energy: -1.077516066716242
Energy: -1.0781396381426853
Energy: -0.911489145911571
Energy: -1.0679809726357647
Energy: -0.8802883460381372
Energy: -1.0716312172797373
Energy: -0.9294573344999444

minimum gb energy = -5.237478619875519 eV
minimum distance =  2.23416953207155 Angstroms
sigma value = 17


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

Energy: -1.200537419876186
Energy: -1.1938350518414276
Energy: -1.2002019408389382
Energy: -1.1961001138158052
Energy: -1.1996196142750042
Energy: -1.1961538357030053
Energy: -1.6479431652897107
Energy: -1.1069870892118372
Energy: -1.6522211276402
Energy: -1.0926132380995168
Energy: -1.6546755431711027
Energy: -1.0947425769465806
Energy: -1.8060356362441867
Energy: -0.7858653745375312
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Energy: -0.7849042405063981
Energy: -1.80225265401095
Energy: -0.7841799036821774
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Energy: -1.1912004828713003
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Energy: -1.1965591061164143
Energy: -1.603214158378909
Energy: -1.206221429897106
Energy: -1.582520037887729
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Energy: -2.105035421504741
Energy: -1.5640576805738802
Energy: -2.1155073504624364
Energy: -1.5449047334047668
Energy: -1.1677338007539577
Energy: -1.5266983691618983
Energy: -1.1657754379563727
Energy: -1.5483315761309353
Energy: -1.1653294105600482
Energy: -1.5604170764690997
Energy: -2.2334647408514896
Energy: -1.564827953798497
Energy: -2.4216293908900606
Energy: -1.5668611722153174
Energy: -1.7527789032055354
Energy: -1.5942338756584788
Energy: -1.2585070728747898
Energy: -1.5794319786288886
Energy: -1.257635673318754
Energy: -1.599003398656827
Energy: -1.2569741385215214
Energy: -1.5722408869262712
Energy: -1.1916824425451202
Energy: -1.5790323166544942
Energy: -1.2216023537238627
Energy: -1.576530073104568
Energy: -1.2210827502780504
Energy: -1.156574521922675
Energy: -1.3649948037625184
Energy: -1.142609888686968
Energy: -1.3042018762436256
Energy: -1.1939549886514937
Energy: -1.303174408453909
Energy: -1.189828788325906
Energy: -1.858007279046322
Energy: -1.186429740533679
Energy: -1.7900291943734172
Energy: -1.1792124544998797
Energy: -1.7492496298032507
Energy: -1.6486737084423455
Energy: -1.1954976859691122
Energy: -1.633722455934018
Energy: -1.197923289633557
Energy: -1.6439988406796153
Energy: -1.1996300141693965
Energy: -1.5696575063528246
Energy: -1.3696210706830623
Energy: -1.549360917274061
Energy: -1.3714123551099642
Energy: -1.5473660218600085
Energy: -1.3816591667614209
Energy: -1.2908686618060126
Energy: -1.8509973178489556
Energy: -1.2624867335231695
Energy: -1.8296095445001663
Energy: -1.2888178661369663
Energy: -1.8305439542760304
Energy: -1.6161414167248378
Energy: -1.8997466444729263
Energy: -2.4275168349568035
Energy: -1.8261212496431767
Energy: -1.5711148115216145
Energy: -1.8500504676787868
Energy: -1.575924910925607
Energy: -1.2139043920507016
Energy: -1.577480805104263
Energy: -1.217323596248422
Energy: -1.57754861919117
Energy: -1.218510378302468
Energy: -1.272530574711305
Energy: -1.845047416407658
Energy: -1.2150003374456122
Energy: -1.924683076175609
Energy: -1.293616921831897
Energy: -1.8924835222664542

minimum gb energy = -2.4275168349568035 eV
minimum distance =  2.39090913296888 Angstroms
sigma value = 17


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

Energy: -2.0800817690844413
Energy: -2.6267418323414753
Energy: -2.087300734674355
Energy: -2.6281416086630003
Energy: -2.092069333238414
Energy: -2.6148228924757975
Energy: -2.5483240189799607
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Energy: -2.585029988567844
Energy: -2.3430643746960924
Energy: -2.595442295287195
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Energy: -2.594738795881191
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Energy: -2.3874578933478023
Energy: -2.9533727886740975
Energy: -2.388629396389348
Energy: -2.274154342542914
Energy: -2.3895126408320584
Energy: -2.3721602837283897
Energy: -2.734129140346195
Energy: -2.3834610528200155
Energy: -2.660649176406924
Energy: -2.4144022799602594
Energy: -2.706131835606442
Energy: -2.4094098534458492
Energy: -2.8580671965717044
Energy: -2.440215668261644
Energy: -2.8517569877451567
Energy: -2.422219878720536
Energy: -2.857049495074065
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Energy: -2.3944634830558345
Energy: -2.3743811418483896
Energy: -2.451601135194283
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Energy: -2.404912383367715
Energy: -2.468751759816232
Energy: -2.4335403711219477
Energy: -2.4613202923068953
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Energy: -2.9220635107571113
Energy: -2.2169172356376374
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Energy: -2.4015294014450985
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Energy: -2.6291097990141075
Energy: -2.384971604328577
Energy: -2.698514254252033
Energy: -2.35807503222865

minimum gb energy = -3.2064118292478017 eV
minimum distance =  2.30729555949855 Angstroms
sigma value = 57


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

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Energy: -3.191134114653425
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Energy: -2.960076609396336
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Energy: -3.1185385606850784
Energy: -2.8778557548857875
Energy: -2.7971608735581976
Energy: -2.736357685835017
Energy: -2.7399605676075014
Energy: -2.906952349101159
Energy: -2.7179214086464922
Energy: -2.5118549468626368
Energy: -3.1075191933126067
Energy: -2.8752570987365877
Energy: -2.9834312883958543
Energy: -2.5440483180039744
Energy: -2.987658248598263
Energy: -2.7720440088247917
Energy: -3.2218044861871586
Energy: -2.6308803580938984
Energy: -3.2486790945415436
Energy: -2.6415153044878346
Energy: -3.215466662587237
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Energy: -2.9333088094116118
Energy: -2.9057651737165857
Energy: -2.9562500166539265
Energy: -2.859420899742608
Energy: -2.9929726869235846

minimum gb energy = -3.4139284282704785 eV
minimum distance =  2.34042152866246 Angstroms
sigma value = 43


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

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Energy: -1.8916207640182099
Energy: -1.9597287081854513
Energy: -1.9249490170365218
Energy: -1.9636565294039992
Energy: -2.0173174468969206

minimum gb energy = -2.7372049667437204 eV
minimum distance =  2.31804380830512 Angstroms
sigma value = 81


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

Energy: -0.05482847873510713
Energy: -0.07023962839753108
Energy: -0.05482847873510713
Energy: -0.0702396283992206
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Energy: -0.054828478733417584
Energy: -0.07023962839753108
Energy: -0.05482847873510713
Energy: -0.07023962839753108
Energy: -0.05482847873510713
Energy: -0.07023962839753108
Energy: 0.6617462730292297
Energy: -0.28373014785326606
Energy: 0.6617462730292297
Energy: -0.28367665105412143
Energy: 0.6617462730309193
Energy: -0.28366940644627364
Energy: 0.6617134747832181
Energy: -0.36006317217845474
Energy: 0.6617134747849076
Energy: -0.360063123304902
Energy: 0.661713474786597
Energy: -0.36006317866509785
Energy: -0.05482847873510713
Energy: -0.0702396283992206
Energy: -0.05482847873510713
Energy: -0.07023962839753108
Energy: -0.05482847873510713
Energy: -0.07023962840091015

minimum gb energy = -0.36006317866509785 eV
minimum distance =  2.52888013401852 Angstroms
sigma value = 3


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

Energy: -1.0719752187660845
Energy: -1.317170595201367
Energy: -1.003663201351885
Energy: -1.2660543925703134
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Energy: -1.3284745465553278
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Energy: -2.075597852949102
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Energy: -1.9810064702299177
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Energy: -1.4185496625993885
Energy: -1.3584466325968754
Energy: -4.099010145846076
Energy: -1.3717848760855205
Energy: -1.1427643511398382
Energy: -1.3352930156038814
Energy: -1.131575617368746
Energy: -1.154583144758782
Energy: -1.7928542114932406
Energy: -1.267072514670222
Energy: -1.2816848761744868
Energy: -2.3505590060151844
Energy: -1.2797520155968882
Energy: -1.297600267696752
Energy: -1.6647727177562015
Energy: -1.4587662765972067
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Energy: -1.4360011828128638
Energy: -1.9217059930794986
Energy: -1.3013999832790557
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Energy: -1.2408047395004513
Energy: -1.1959234683806599
Energy: -1.21713485145639
Energy: -2.2343917988875526
Energy: -1.5119769425358256
Energy: -1.4151831560105925
Energy: -1.544468442595738
Energy: -1.4413153663365645
Energy: -1.4112933380619304
Energy: -1.4355771312570216
Energy: -1.3503660637978148
Energy: -1.4916329263516863
Energy: -1.3652536376925608
Energy: -2.532825642543083
Energy: -1.3724013170569673
Energy: -2.8107118479015436
Energy: -2.0412613099745416
Energy: -1.9520731263674709
Energy: -2.3651692434817484
Energy: -1.8293977364246872
Energy: -2.595252321700988
Energy: -1.945365692686519
Energy: -1.727725348057978
Energy: -1.3890960181130472
Energy: -2.046933433082911
Energy: -1.3686621736790536
Energy: -1.6944124956774966
Energy: -1.3353949356781158
Energy: -3.4817891903090046
Energy: -2.112795619527539
Energy: -1.567000412391225
Energy: -1.778523346320913
Energy: -1.457637192347867
Energy: -1.9087643830377417
Energy: -1.667020593574241
Energy: -1.2667560568479532
Energy: -1.8474325053816705
Energy: -1.76736488293327
Energy: -2.783152147461591
Energy: -1.2866046832721194
Energy: -1.5868356467847802
Energy: -1.9546190929213878
Energy: -1.6689956607862688
Energy: -1.8942811095767502
Energy: -1.597147360927906
Energy: -1.8959472338009538

minimum gb energy = -4.434483267890419 eV
minimum distance =  2.26089883575156 Angstroms
sigma value = 67


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

Energy: -3.860518453039916
Energy: -4.901364640630037
Energy: -4.11037790765226
Energy: -5.532548802831564
Energy: -3.782027507316304
Energy: -5.528187819384614
Energy: -4.9259134855258715
Energy: -6.737420812214489
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Energy: -6.426837330505115
Energy: -2.284849880731029
Energy: -5.450025618270778
Energy: -2.1790098105776896
Energy: -5.930367393703986
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Energy: -5.681924383399699
Energy: -3.9639238406335537
Energy: -1.943274219108392
Energy: -6.436123887934492
Energy: -3.7950977066735656
Energy: -6.304043509616721
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Energy: -5.530618616161251
Energy: -3.3738495897159893
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Energy: -3.38009526125153
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Energy: -7.26061617976711
Energy: -1.7665830196662342
Energy: -6.071958175444857
Energy: -2.8703246736690797
Energy: -6.3276512888725565
Energy: -2.855821544451713
Energy: -6.362760217158494
Energy: -6.757080104022134
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Energy: -6.624828389514164
Energy: -4.220447327443162
Energy: -6.400711560909638
Energy: -3.123795216614602
Energy: -2.6427826029307866
Energy: -5.789797647974804
Energy: -5.20716431442696
Energy: -5.299215041406447
Energy: -3.8091736085905294
Energy: -6.236851285685677
Energy: -2.072962313208115
Energy: -6.174675591368747
Energy: -6.121639829569132
Energy: -5.96494137753887
Energy: -5.189452736284357
Energy: -5.869173028712231
Energy: -5.452622506519747
Energy: -3.017174918235326
Energy: -6.096504053280436
Energy: -4.874422759059925
Energy: -5.588875816436207
Energy: -4.945492088037457
Energy: -2.635473397775185
Energy: -1.384453029148082
Energy: -2.4220116960709213
Energy: -6.976199513478175
Energy: -2.4141362405299662
Energy: -2.312003638744196

minimum gb energy = -7.981381136301532 eV
minimum distance =  2.35586512530837 Angstroms
sigma value = 33


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

Energy: -1.9112868448050473
Energy: -3.9481918899169597
Energy: -1.9309501347157365
Energy: -4.227212888409384
Energy: -1.9478452284040515
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Energy: -3.9036463111237443
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Energy: -2.083862724360479
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Energy: -3.1104111388854587
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Energy: -3.615904231026023
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Energy: -3.819014467547788
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Energy: -4.120522004401884
Energy: 0.16599761444889674
Energy: -4.30451803156469
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Energy: -4.158491393487869
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Energy: -5.335648918421563
Energy: -4.126762805362907
Energy: -3.8338714211863842
Energy: -3.771203579995556
Energy: -5.026107372316677
Energy: -3.911920079791976
Energy: -1.6162319640169105
Energy: -4.307688059447923
Energy: -1.4649677332993076
Energy: -4.26677159023845
Energy: -2.6125555003812524
Energy: -4.584188607138288
Energy: -4.5364799858738225
Energy: -4.402419707979997
Energy: -4.198070912091974
Energy: -4.156139533222033
Energy: -3.0389448247345148
Energy: -4.83273710681404
Energy: 0.10018215719734273
Energy: -3.122531149078695
Energy: 0.10018281329929755
Energy: -2.7498393143268247
Energy: 0.10018486218118473
Energy: -2.681352210421929

minimum gb energy = -5.4201491666968575 eV
minimum distance =  2.34008812751007 Angstroms
sigma value = 41


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

Energy: -1.5129067603573783
Energy: -1.3486834717596627
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Energy: -2.7467794468668543
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Energy: -3.7631668800720375
Energy: -2.608137872228262
Energy: -3.183062175351981
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Energy: -2.942601786328816
Energy: -1.8131616655302534
Energy: -3.182513811466912
Energy: -2.1675460674637232
Energy: -2.988935170815856
Energy: -2.398406476934583
Energy: -2.4005571792195832
Energy: -2.614094042491892
Energy: -2.432394796087886
Energy: -2.719079223813179
Energy: -1.7328480943375504
Energy: -2.8223135886862516
Energy: -4.696002627909315
Energy: -2.1423550854206845
Energy: -3.0481925797112
Energy: -2.007573005190079
Energy: -2.835377205579175
Energy: -2.095958639780894
Energy: -2.9554137521064288
Energy: -1.9202180442760426
Energy: -2.9457713133240366
Energy: -2.273232069180245
Energy: -2.8923952329277633
Energy: -2.1113695142136835
Energy: -3.3491137446399555
Energy: -1.9977980333364052
Energy: -2.669948808706257
Energy: -1.8104866695519048
Energy: -3.1297105269051615
Energy: -1.9304821653170676
Energy: -1.0557833525210143
Energy: -1.6831548438307316
Energy: -1.142374282474654
Energy: -1.7146981155454457
Energy: -1.121860219397539
Energy: -2.2602387006608198
Energy: -3.471354189435595
Energy: -1.8074790603933804
Energy: -3.590311671789904
Energy: -1.7919272559666177
Energy: -3.37182170902267
Energy: -1.939371408171474

minimum gb energy = -4.696002627909315 eV
minimum distance =  2.36870427959315 Angstroms
sigma value = 11


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

Energy: -0.3017253196367343
Energy: -1.8746659071398382
Energy: -0.7805905505628113
Energy: -2.3244429196028578
Energy: -0.2904712082968152
Energy: -0.9270077071018127
Energy: -0.72075570810256
Energy: -0.8014122620581701
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Energy: -0.9990498132252397
Energy: -0.668750654117318
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Energy: -1.160573260372259
Energy: -0.962636796584138
Energy: -1.0325467684239782
Energy: -1.5235373012880236
Energy: -2.8050993867603418
Energy: -1.6649385133385433
Energy: -0.6213066903270453
Energy: -1.2569236141999791
Energy: -0.6565654148625409
Energy: -1.0746989109689988
Energy: -0.5570358672150542
Energy: -1.9114274975812455
Energy: -1.5261546792049507
Energy: -1.7059648833319863
Energy: -0.868304253429238
Energy: -2.610385849009229
Energy: -0.8791483295611895
Energy: -0.7441344425811225
Energy: -0.48882803756757714
Energy: -1.4936842518067563
Energy: -2.123573980151064
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Energy: -1.3012244812393063
Energy: -0.60542543338485
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Energy: -0.683426853837396
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Energy: -1.5307949188185437
Energy: -1.6331523343846224
Energy: -1.8560171086353443
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Energy: -1.463930981945028
Energy: -1.1192413286682912
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Energy: -1.2929835294925698
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Energy: -1.7721059294656794
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Energy: -0.9136963003939341
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Energy: -0.4699568379562371
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Energy: -0.5681757712999058
Energy: -0.7495733226358232
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Energy: -0.9021146571255569
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Energy: -1.1468842864041888
Energy: -1.2174950641188313
Energy: -1.7143870064310682
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Energy: -0.7654162339003788
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Energy: -0.7665252365906975
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Energy: -0.8235155797173859
Energy: -0.7180493205674825
Energy: -0.6907169663330365
Energy: -0.841023095953742
Energy: -0.7596639697473044
Energy: -0.4737442289604497
Energy: -1.0252805962550116
Energy: -0.7888786039483682
Energy: -1.0170808711737995
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Energy: -0.9721131674888991
Energy: -0.48254740897961224
Energy: -1.3299313816396894
Energy: -1.3143753626874861
Energy: -2.244329376061166
Energy: -1.033281038376109
Energy: -1.7086059951199661
Energy: -0.9258788926517526
Energy: -1.3540320423511507
Energy: -1.246902868711368
Energy: -0.7674929804014526
Energy: -0.9668824902805181
Energy: -0.7433484073250055
Energy: -0.9349301130368778
Energy: -1.4933444695385254
Energy: -1.0367138870795327
Energy: -0.9794750218368915
Energy: -0.563111535203986
Energy: -0.8288503566496833
Energy: -0.6252330526927196
Energy: -1.6347500891450635
Energy: -1.2123326922357547
Energy: -1.2046462038597674
Energy: -1.1942384967675042
Energy: -1.3613092714802277
Energy: -1.183308132168558

minimum gb energy = -3.47648963026217 eV
minimum distance =  2.2458738197456 Angstroms
sigma value = 57


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

Energy: -0.805453484820064
Energy: -0.8595353039983847
Energy: -0.7298811207054838
Energy: -0.8671200181419845
Energy: -0.6828578757261046
Energy: -0.9959097259554263
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Energy: -0.776096623344906
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Energy: -0.5758729358606133
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Energy: -0.4855162866325638
Energy: -0.21678986691360203
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Energy: -0.6976234259209549
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Energy: -0.7983042581029145
Energy: 0.8679935520744269
Energy: -1.3560481459055818
Energy: 0.8679934971055105
Energy: -1.3432318929097968
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Energy: -0.08358128601613252
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Energy: -0.929959647002812
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Energy: -0.04196677532903319
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Energy: -0.4856655725092626
Energy: 0.049543495382905596
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Energy: -0.8611606020027226
Energy: -0.8304707357332439
Energy: 0.20425995856275875
Energy: -0.7915696983758543
Energy: 0.08946560400579563
Energy: -0.7130450689305168
Energy: 0.8679935518208969
Energy: 0.7499253859418691
Energy: 0.867993496327451
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Energy: 0.8679933176222513
Energy: -0.6531560265650456
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Energy: -0.7075499959013117
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Energy: -0.16712556708723675
Energy: -0.7399603649641635
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Energy: -0.6670334848921186
Energy: -0.8736500340284332
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Energy: -0.572820941354255
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Energy: -0.09779923027432552
Energy: -0.5973233141915018
Energy: -0.09685349610962546
Energy: -0.6552017291724906
Energy: 0.047231495161458525
Energy: -0.5111901644177529
Energy: 0.06399301351074284
Energy: -0.7497396905761651
Energy: 0.09281015045678022
Energy: -0.6165200956910323
Energy: 0.100861675198928
Energy: -0.7542359509843299
Energy: 0.8679935520480895
Energy: 0.7499424995854361
Energy: 0.8679934941609625
Energy: 0.7498062777618462
Energy: 0.8679933109657815
Energy: -0.5830141735235629
Energy: -1.3754462348221057
Energy: -0.7075396154905501
Energy: 0.09067472889717057
Energy: -0.6964162110650297
Energy: -0.027432394061612356
Energy: -0.7331199063786962

minimum gb energy = -1.782845613977085 eV
minimum distance =  2.25776548338859 Angstroms
sigma value = 9


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

Energy: -1.1246083056474334
Energy: -1.3276536969101884
Energy: -1.145971292037575
Energy: -1.3019663565884434
Energy: -1.0961263821518417
Energy: -1.3001419974485444
Energy: -0.8714637760111541
Energy: -0.9351609871599548
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Energy: -1.7821975774340721
Energy: -1.452675630398314
Energy: -1.943782012292036
Energy: -1.1306183164277843
Energy: -1.1898006838044082
Energy: -1.4039483879298642
Energy: -3.6145463819560146
Energy: -1.5481179298767842
Energy: -3.436439831624038
Energy: -1.4877251510004084
Energy: -2.3201573057125033
Energy: -1.1075201860297568
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Energy: -1.2391438806070647
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Energy: -1.3531157353891832
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Energy: -0.7233982170837907
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Energy: -2.1566816351002784
Energy: -2.933725868740421
Energy: -2.0205874853708505
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Energy: -1.3427413637361731
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Energy: -1.2273359625435565
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Energy: -2.283997223796685
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Energy: -1.6540962205315741
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Energy: -1.3780432237550515
Energy: -1.2439540630550536
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Energy: -1.72443244002532
Energy: -1.843226514497879
Energy: -1.7107699267097258
Energy: -1.7909212839147883
Energy: -1.6604608221590393
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Energy: -0.8940051655713857
Energy: -1.7661954403889546
Energy: -1.0529568475377113
Energy: -0.9386323635845573
Energy: -1.0017322750953994
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Energy: -1.6025634049119315
Energy: -1.5689605045239472
Energy: -1.5471488709103787
Energy: -1.2076504882540917
Energy: -1.8551865516874768
Energy: -1.1898611767937137
Energy: -1.5608076311851633
Energy: -1.510837450374353
Energy: -1.3495851590419654
Energy: -1.388749672381999
Energy: -1.7908882418571799
Energy: -1.4643975600067807
Energy: -0.9987498974377618
Energy: -1.604300206843102
Energy: -1.0481033917759637
Energy: -1.63354039547529
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Energy: -1.6591456566926215
Energy: -2.0581516167530904
Energy: -1.055352058365799
Energy: -0.9975671962563825
Energy: -1.9529642305496913
Energy: -0.9799842705118333
Energy: -3.562258134952508

minimum gb energy = -3.6145463819560146 eV
minimum distance =  2.30434834201942 Angstroms
sigma value = 27


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

Energy: -0.9123679420710021
Energy: -2.201166235145858
Energy: -2.208990779658808
Energy: -2.2336920831725697
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Energy: -1.5975929707998722
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Energy: -2.070281787704259
Energy: -1.181573094920586
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Energy: -1.1372367355135191
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Energy: -1.2081531802276182
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Energy: -0.9622045562695757
Energy: -0.9188445657366169
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Energy: -0.9937036054604086
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Energy: -1.683176208331364
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Energy: -1.4577884042920908
Energy: -0.7246634065152158
Energy: -0.9428357964830948
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Energy: -2.208990769594982
Energy: -2.1601725289646754
Energy: -0.684893783528599
Energy: -2.2269493368788678
Energy: -0.8218857955630144
Energy: -0.8245979368706103
Energy: -0.9674643811968462
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Energy: -1.7921242212335078
Energy: -1.3206947843290158
Energy: -2.322251038946239
Energy: -1.1375687860063732
Energy: -2.2270559805701127
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Energy: -2.460013443299811
Energy: -1.1376143143476483
Energy: -2.3244022627850653
Energy: -0.6305119667577636
Energy: -2.3244022613973137
Energy: -0.5603359446678684
Energy: -2.3244022625783796
Energy: -0.6257644321039774
Energy: -1.0470655137713591
Energy: -1.9120551351389676
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Energy: -2.062702167579609
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Energy: -1.9126278904288814
Energy: -1.721913010893138
Energy: -0.9119995530865519
Energy: -1.6953178167221006
Energy: -0.7849397772672798
Energy: -1.8085252897837507
Energy: -0.711558554126628

minimum gb energy = -2.5166840323537802 eV
minimum distance =  2.27050443676046 Angstroms
sigma value = 19


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

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Energy: -0.22294120760675468
Energy: -0.377037831084734
Energy: -0.7345797353556452
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Energy: -0.759725120875949
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Energy: -0.9567391907253983
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Energy: -0.9605461335317353
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Energy: -0.8665962507052575
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Energy: -0.834002014082084
Energy: -0.7073032673463633
Energy: -0.6477231185511452
Energy: -0.5071449712663407
Energy: -0.45213005057110073
Energy: -0.49007999595195445
Energy: -0.2926656741991284
Energy: -0.5631510328996555
Energy: -1.0977249075423918
Energy: -0.747247339024562
Energy: -1.0129143554705893
Energy: -0.7739790356463402
Energy: -0.8738145026454921
Energy: -0.7315297490831028
Energy: -0.7811439961261886
Energy: -0.6226926415077866
Energy: -0.9941761816787374
Energy: -0.9885860647079012
Energy: -1.0359830970751234
Energy: -0.7958388395406765
Energy: -0.6243385456261479
Energy: -0.7261656353060321
Energy: -0.672128742300088
Energy: -0.7543637131556894
Energy: -0.6166028944069695
Energy: -0.9738386370834083
Energy: -0.8173656131223436
Energy: -0.804687950652999
Energy: -0.659119592394166
Energy: -0.7904884718026204
Energy: -0.6929129486131912
Energy: -0.5778665262585011
Energy: -0.65271320132878
Energy: -0.5270045042379159
Energy: -0.4473310857716525
Energy: -0.3566533150225749
Energy: -0.4297815679849415

minimum gb energy = -1.8855451532326477 eV
minimum distance =  2.26060382719988 Angstroms
sigma value = 101


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

Energy: -0.9191465147487868
Energy: -2.559564079546129
Energy: -0.7055820433075065
Energy: -2.1593126914605763
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Energy: -2.3393652757390533
Energy: -0.5249913570157742
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Energy: -0.6223946597932062
Energy: -2.2587396232747703
Energy: -2.5780427518091207
Energy: -1.4771866588796574
Energy: -2.587660370982953
Energy: -1.417441489955837
Energy: -2.5790479595300355
Energy: -1.47284405968804
Energy: -1.562352314267603
Energy: -1.3838788910399429
Energy: -1.4890886863353308
Energy: -0.45861599299081734
Energy: -1.4863093013602342
Energy: -0.4995886774045378
Energy: -1.7759119172589966
Energy: -1.392483339823985
Energy: -1.3418781907511472
Energy: -0.8982736018767661
Energy: -0.6706548000822299
Energy: -1.8008795390514192
Energy: -2.662717039410483
Energy: -1.6608379517362062
Energy: -2.4926005130057773
Energy: -1.8315968107942235
Energy: -1.9677815358077575
Energy: -1.8248027605156036
Energy: -2.2202212658520883
Energy: -1.580093768683864
Energy: -2.3565650107906215
Energy: -1.5582183959948357
Energy: -2.4244360116979893
Energy: -1.5936193041582447
Energy: -1.3707385985349212
Energy: -2.5859754683241305
Energy: -0.5164242622290648
Energy: -2.539218667854482
Energy: -0.5841415674992921
Energy: -2.7720495311649698

minimum gb energy = -2.9266001476969716 eV
minimum distance =  2.20774954974667 Angstroms
sigma value = 33


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

Energy: 0.016686142593857242
Energy: 0.5007587655982387
Energy: 0.0166861425942805
Energy: 0.5007587655978156
Energy: 0.016686142593857242
Energy: 0.5007587655986385
Energy: 0.017656976077265327
Energy: -6.019205922031368
Energy: 0.017656976077265327
Energy: -6.019205922029299
Energy: 0.01765697607684207
Energy: -6.019205922028876
Energy: -0.6535648656588671
Energy: -6.024001520758026
Energy: -1.1470789513252433
Energy: -6.024001520758849
Energy: -1.149104088123699
Energy: -6.024001520758026
Energy: 0.017656976077265327
Energy: -6.019205922031368
Energy: 0.01765697607684207
Energy: -6.019205922030123
Energy: 0.01765697607684207
Energy: -6.019205922031368

minimum gb energy = -6.024001520758849 eV
minimum distance =  2.45135087692303 Angstroms
sigma value = 1