Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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=2.8599988371133813
cohesive_energy=4.2806306056621946
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: 0.013215669966552388
Energy: 0.013610646447365293
Energy: 0.4299828713706693
Energy: 0.013610646447866333
Energy: 0.013215669966552388
Energy: 0.013610646447866333
Energy: 0.013610646447365293
Energy: 1.8042963006534158
Energy: 0.013610646448339536
Energy: 1.8042963006534158
Energy: 0.013610646447866333
Energy: 1.8042963006534158
Energy: 0.4299828713706693
Energy: 0.013610646447866333
Energy: 0.013215669966552388
Energy: 0.013610646447365293
Energy: 0.4299828713706693
Energy: 0.013610646447866333
Energy: 0.013610646447365293
Energy: 1.8042963006534158
Energy: 0.013610646447866333
Energy: 1.8042963006534158
Energy: 0.013610646447365293
Energy: 1.804296300653889
Energy: 0.013215669966552388
Energy: 0.013610646447866333
Energy: 0.4299828713706693
Energy: 0.013610646448339536
Energy: 0.01321566996605135
Energy: 0.013610646447866333
Energy: 0.013610646447866333
Energy: 1.804296300653889
Energy: 0.013610646447365293
Energy: 1.804296300653889
Energy: 0.013610646447866333
Energy: 1.804296300653889

minimum gb energy = 0.01321566996605135 eV
minimum distance =  2.35234675247828 Angstroms
sigma value = 1


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

Energy: -4.9549487851889555
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Energy: -4.012935730940772
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Energy: -4.475313747876757
Energy: -4.715411926096517
Energy: -4.693003616836849
Energy: -4.715411926097723
Energy: -4.515747624307667
Energy: -5.350852638455363
Energy: -4.804720663365753
Energy: -5.350854838927813
Energy: -4.515747624301637
Energy: -5.350852803454891
Energy: -4.640762147876885
Energy: -4.789067030883536
Energy: -4.532935130301494
Energy: -4.789067030884741
Energy: -4.640762147875678
Energy: -4.789067030883536
Energy: -3.5380779680366174
Energy: -4.653846176109666
Energy: -4.022301515399262
Energy: -4.6538461761132845
Energy: -3.5380779680366174
Energy: -4.653846176110872
Energy: -4.844787394557153
Energy: -4.851951056941236
Energy: -4.434627126584043
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Energy: -4.844787394557153
Energy: -4.851951056950885
Energy: -4.904160550310376
Energy: -5.210380125123164
Energy: -3.7112627763906247
Energy: -5.210380150589981
Energy: -4.904160550356151
Energy: -5.210380144850432

minimum gb energy = -5.350854838927813 eV
minimum distance =  2.31255150318674 Angstroms
sigma value = 33


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

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Energy: -4.832530261637316
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Energy: -3.0935754008574965
Energy: -3.720479150245166

minimum gb energy = -5.107993955613865 eV
minimum distance =  2.35942877174285 Angstroms
sigma value = 51


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

Energy: -2.122236497241903
Energy: -1.9345611074872462
Energy: -3.1057326438206108
Energy: -1.9345611075031408
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Energy: -3.0074152239309924
Energy: -2.3810042624004932
Energy: -3.067257663339226
Energy: -2.3810042624004932

minimum gb energy = -3.7235299863319224 eV
minimum distance =  2.33350521279638 Angstroms
sigma value = 19


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

Energy: -2.309329452225392
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Energy: -1.9642076598907534
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Energy: -1.9268628742550495

minimum gb energy = -3.0812447257034514 eV
minimum distance =  2.37844275211355 Angstroms
sigma value = 27


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

Energy: -3.8094067794221385
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Energy: 0.8714405653986195
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Energy: -4.705926920099555
Energy: -2.8021975586901995

minimum gb energy = -4.7251038600063735 eV
minimum distance =  2.38502146416741 Angstroms
sigma value = 9


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

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Energy: -3.895807835651322

minimum gb energy = -5.042131949602713 eV
minimum distance =  2.34316838035815 Angstroms
sigma value = 57


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

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Energy: -3.5491443804883778
Energy: -3.1097350048597523
Energy: -3.761724479872546
Energy: -3.1097350048597523

minimum gb energy = -4.09858628701524 eV
minimum distance =  2.31001736762728 Angstroms
sigma value = 11


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

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Energy: -5.255578322888482
Energy: -5.1968953295103235
Energy: -5.429656307265024
Energy: -5.196895329313445

minimum gb energy = -6.330229807852405 eV
minimum distance =  2.34720779975956 Angstroms
sigma value = 41


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

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Energy: -3.372926086226942
Energy: -2.3302525447307834

minimum gb energy = -3.792542275021708 eV
minimum distance =  2.35958623888389 Angstroms
sigma value = 33


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

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minimum gb energy = -5.912557594552438 eV
minimum distance =  2.32987872494568 Angstroms
sigma value = 67


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

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Energy: -5.03847955822158

minimum gb energy = -5.286921838360914 eV
minimum distance =  2.38177305231389 Angstroms
sigma value = 3


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

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minimum gb energy = -6.232542016816983 eV
minimum distance =  2.30199849954316 Angstroms
sigma value = 81


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

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Energy: -3.394287710664209
Energy: -3.6661633082005323
Energy: -4.008608800680434
Energy: -3.469966767085136
Energy: -3.578631149873136
Energy: -3.46996676708663
Energy: -4.008608800684917
Energy: -3.4699667670858836
Energy: -4.452049458089035
Energy: -3.4723714414244418
Energy: -3.0813090414973083
Energy: -3.4723714414184648
Energy: -4.452049457761942
Energy: -3.4723714413998215
Energy: -3.2213444394377473
Energy: -3.731811439799291
Energy: -3.456487078011486
Energy: -3.7318114397799005
Energy: -3.2213444394377473
Energy: -3.731811439806762
Energy: -3.7659059403636066
Energy: -3.751807801647806
Energy: -3.5350966825289043
Energy: -3.751807801650794
Energy: -3.765905939600411
Energy: -3.751807801646311
Energy: -3.4799480935316485
Energy: -2.9729968272428144
Energy: -3.44872879434997
Energy: -2.972996827235343
Energy: -3.4799480935323954
Energy: -2.972996827238332

minimum gb energy = -4.452049458089035 eV
minimum distance =  2.32266532819085 Angstroms
sigma value = 43


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

Energy: -2.3217693140115734
Energy: -1.6048042696209386
Energy: -3.077099950083089
Energy: -1.6048042696236917
Energy: -2.3217693140188937
Energy: -1.6048042696246092
Energy: -2.6473577551127385
Energy: -3.1113656320747345
Energy: -3.3311679241019663
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Energy: -2.6473577551173273
Energy: -3.111434742047289
Energy: -2.621916407837872
Energy: -2.0616535452343485
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Energy: -2.0616535452325135
Energy: -3.0602258641055102
Energy: -2.75672641988227
Energy: -2.9825239076591386
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Energy: -3.0602258810695067
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Energy: -2.611088914940687
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Energy: -2.984795504479368
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Energy: -2.7922872628092916
Energy: -2.843200233165391
Energy: -3.1375469789748154
Energy: -2.843200233162638
Energy: -2.7922872628478137
Energy: -2.843200233163556
Energy: -3.030954243089143
Energy: -2.662428604465807
Energy: -2.7648314163618726
Energy: -2.6624287588946225
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Energy: -3.136862178019469
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Energy: -3.136862178021304
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Energy: -2.6676104559311344
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Energy: -3.24376435541301
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Energy: -2.750030102864965
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Energy: -2.286243481208811
Energy: -2.7500301029080756
Energy: -2.2862434813234787
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Energy: -2.215145198214109
Energy: -2.9847974090878346
Energy: -2.215145198213191
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Energy: -2.215145198213191
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Energy: -2.71188041402369
Energy: -1.994643813172482
Energy: -2.800787230667341
Energy: -1.994643813172482
Energy: -2.979452358735801
Energy: -2.2001103096237395
Energy: -2.830465271527505
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Energy: -2.2001103099915613
Energy: -2.985251073512153
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Energy: -2.89919629748719
Energy: -2.3488633839793884
Energy: -2.985251073512153
Energy: -2.348863383982142
Energy: -2.986405423515401
Energy: -2.4667023718602286
Energy: -2.8575006282146
Energy: -2.4667023718593106
Energy: -2.986405423515401
Energy: -2.466702371853805
Energy: -2.9114460515591642
Energy: -2.2725212392445084
Energy: -2.862623632874977
Energy: -2.272521476376224
Energy: -2.9114460515591642
Energy: -2.272520837322502
Energy: -3.161083701673641
Energy: -2.010422122012925
Energy: -2.747245084555166
Energy: -2.010422122012007
Energy: -3.161083701673641
Energy: -2.010422122010172
Energy: -2.729430517627807
Energy: -2.775729843219492
Energy: -3.015358259157659
Energy: -2.7757298367903487
Energy: -2.7294305135688988
Energy: -2.775729835736396
Energy: -2.7439553055979915
Energy: -2.7801158616842825
Energy: -2.6417883891543834
Energy: -2.7801158616842825
Energy: -2.7439553055970736
Energy: -2.7801158616842825
Energy: -2.7750036266501934
Energy: -2.7720881443779812
Energy: -2.904350500552011
Energy: -2.772088154860547
Energy: -2.7750071016834146
Energy: -2.7720881433451354

minimum gb energy = -3.3311679241019663 eV
minimum distance =  2.35296169252175 Angstroms
sigma value = 57


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

Energy: -4.224086563990594
Energy: -1.7702578038615047
Energy: -3.4123382146494503
Energy: -1.7702578038603165
Energy: -4.224086563996535
Energy: -1.7702578038603165
Energy: -3.5587781820784627
Energy: -3.7162492047949742
Energy: -4.184381419748867
Energy: -3.7162492047949742
Energy: -3.5587781820772744
Energy: -3.716249204790221
Energy: -4.176796644072016
Energy: -1.7227780846063268
Energy: -3.9651895862575004
Energy: -1.7227780846181817
Energy: -4.176796644070828
Energy: -1.7227780846288754
Energy: -4.28112123169918
Energy: -3.5206680650691413
Energy: -4.157592032231123
Energy: -3.5206680650691413
Energy: -4.281121231700368
Energy: -3.5206680650691413
Energy: -4.145361860946829
Energy: -3.6237296145917117
Energy: -4.01681516550584
Energy: -3.6237296145940876
Energy: -4.145361860949204
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Energy: -2.8971476670898553
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Energy: -3.3315329816719674
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Energy: -3.7993110280819273
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Energy: -3.7737159854825992
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Energy: -3.799311026553395
Energy: -3.564248542195926
Energy: -3.8446204228056304
Energy: -3.4297082112244044
Energy: -4.120286299119757
Energy: -3.4297082111626453
Energy: -3.8446204228056304
Energy: -3.4297082112077697
Energy: -4.220236517497953
Energy: -2.802810785090594
Energy: -3.455232056389844
Energy: -2.7816195763418783
Energy: -4.220236517496764
Energy: -2.781816195295605
Energy: -4.207904025012184
Energy: -2.9551996275892054
Energy: -3.5055746809837767
Energy: -2.955199631360052
Energy: -4.207904024805519
Energy: -2.95519963013081
Energy: -4.181181739974169
Energy: -3.7184802634720686
Energy: -3.41156293678871
Energy: -3.718480263602716
Energy: -4.181181739982459
Energy: -3.718480265335537
Energy: -3.848278534795811
Energy: -2.2378278233262607
Energy: -4.006978779307887
Energy: -2.2378278233286375
Energy: -3.848278534812446
Energy: -2.2378278233262607
Energy: -4.058466130560398
Energy: -3.320516199300049
Energy: -3.409494708292263
Energy: -3.3205161128603735
Energy: -4.058466130847807
Energy: -3.320516220052185

minimum gb energy = -4.289277244403969 eV
minimum distance =  2.33880416794306 Angstroms
sigma value = 17


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

Energy: -4.13148523012804
Energy: -4.131482314834451
Energy: -3.5917249733618077
Energy: -4.127092665621127
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Energy: -3.9809718980766315
Energy: -3.6830886299439753
Energy: -3.9809553375682944
Energy: -3.368677715472816
Energy: -2.2400467394768047
Energy: -3.8096558780160623
Energy: -2.2383924164345705
Energy: -3.368677716361308
Energy: -2.225763820763281
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Energy: -3.1468473741642
Energy: -3.4271584383734246
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Energy: -3.308485636748936
Energy: -3.1468473741642
Energy: -3.1653242869429072
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Energy: -3.7788386079547918
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Energy: -3.3704307151753485
Energy: -4.131050515689117
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Energy: -3.806596131608712
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Energy: -3.59088060492928
Energy: -2.739272204993892
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Energy: -3.5908529855822127
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Energy: -3.3020022839723238
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Energy: -3.809553421920298
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Energy: -3.198237336835556
Energy: -2.3224456327811995
Energy: -3.809553421905175
Energy: -2.3180043737826734
Energy: -3.8080452928381594
Energy: -1.8616327181927665
Energy: -3.1693608269728664
Energy: -1.861632153764328
Energy: -3.808045295606175
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Energy: -3.8073149009719622
Energy: -3.2277861293302004
Energy: -3.6981642229366463
Energy: -3.217013534181295
Energy: -3.8073149009820444
Energy: -3.225259021373434

minimum gb energy = -4.131581875264561 eV
minimum distance =  2.36589362459165 Angstroms
sigma value = 17


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

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Energy: -4.158167469415502
Energy: -3.9840620515802687
Energy: -4.158167480744724
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Energy: -3.6700416169191725
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Energy: -4.659142491848948
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Energy: -4.659142493233722
Energy: -5.2006872437487095
Energy: -5.045766816014118
Energy: -4.304186310240237
Energy: -5.0457668160108735
Energy: -5.200687243732488
Energy: -5.045766816011523
Energy: -4.460906598177999
Energy: -4.158167485924506
Energy: -3.510994780693812
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Energy: -4.460906598177999
Energy: -4.158167484472275
Energy: -4.986922248063867
Energy: -5.043205000343473
Energy: -4.298364668804727
Energy: -5.043205000342824
Energy: -4.986922248054134
Energy: -5.0432050003441224
Energy: -4.101905132060389
Energy: -4.075899278309727
Energy: -4.341312952708545
Energy: -4.075899278299994
Energy: -4.101905132063633
Energy: -4.075899278311674
Energy: -4.569382809747288
Energy: -4.5337473663410135
Energy: -4.727498277867302
Energy: -4.5337473663410135
Energy: -4.56938280974599
Energy: -4.533747366340364
Energy: -3.610524658523952
Energy: -4.714663880322802
Energy: -4.732229705304454
Energy: -4.714663880321504
Energy: -3.6105246585414723
Energy: -4.714663880325397

minimum gb energy = -5.308166008803295 eV
minimum distance =  2.28808343828094 Angstroms
sigma value = 57


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

Energy: -5.007387070736909
Energy: -4.928322094324603
Energy: -6.169141022017473
Energy: -4.928322094318264
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Energy: -5.383752824339743
Energy: -5.949703850101972
Energy: -6.138604517368115
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Energy: -6.1386045277811165
Energy: -5.949703850100915
Energy: -6.138604525156772
Energy: -6.099069368043201
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Energy: -6.361461776270919
Energy: -6.099069368048485
Energy: -6.361405894156812
Energy: -6.291963715791149
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Energy: -5.598617236648607
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Energy: -4.804900528996908
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Energy: -6.667188780908552
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Energy: -4.8049005280464385
Energy: -5.865562597716239
Energy: -5.054053098046939
Energy: -5.612649801774344
Energy: -6.9239880598643655
Energy: -5.612649801813388
Energy: -5.054053098062787
Energy: -5.612649801860933
Energy: -5.886773528901504
Energy: -5.621878819565057
Energy: -5.754610832023718
Energy: -5.621889869218798
Energy: -5.886773528900447
Energy: -5.62186556054115
Energy: -5.931842285304499
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Energy: -6.060652006899797
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Energy: -6.238814739606168
Energy: -5.904183397569329
Energy: -5.872231359824091
Energy: -5.904183397570385
Energy: -6.238814739536484
Energy: -5.9041833975725
Energy: -5.995106846673594
Energy: -5.8428994437972674
Energy: -5.727539211358908
Energy: -5.842905624236047
Energy: -5.995106839982175
Energy: -5.842899507524843
Energy: -6.022227768242894
Energy: -5.594897915696187
Energy: -6.7132414072238795
Energy: -5.594897915679281
Energy: -6.022227768240781
Energy: -5.594897915652868
Energy: -5.193993334361708
Energy: -6.167147228055863
Energy: -6.685165546561808
Energy: -6.167147228097069
Energy: -5.193993334387066
Energy: -6.167147227986178
Energy: -4.966617807869991
Energy: -6.053779160809077
Energy: -6.969564317954237
Energy: -6.053779160811191
Energy: -4.966617807871047
Energy: -6.053779160809077
Energy: -5.644252862889261
Energy: -5.704897293329835
Energy: -6.940677873934565
Energy: -5.704897293193587
Energy: -5.644252862891374
Energy: -5.704897293377331
Energy: -6.01347024449234
Energy: -5.486050966373069
Energy: -5.848273017099164
Energy: -5.486050966321346
Energy: -6.013462847080401
Energy: -5.486050966368844

minimum gb energy = -7.125999901822549 eV
minimum distance =  2.33987829611588 Angstroms
sigma value = 43


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

Energy: -3.011649642270735
Energy: -3.1507973389318122
Energy: -3.3372671056478738
Energy: -3.1507973389310417
Energy: -3.011649642269965
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Energy: -3.583445220641461
Energy: -3.8537967233242947
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Energy: -3.002368799271681
Energy: -3.3810900845584255
Energy: -2.7745965216765147
Energy: -3.381090076536699
Energy: -3.002368799270141
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Energy: -3.6730725763837198
Energy: -3.621297829896494
Energy: -3.673072607331826
Energy: -3.79350438172858
Energy: -3.6730726473958772
Energy: -3.5234517591506194
Energy: -3.397307054144389
Energy: -3.5798846852960713
Energy: -3.3973070541151715
Energy: -3.5234517591536982
Energy: -3.3973070539027734
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Energy: -3.4862492535417293
Energy: -3.5723163223424264
Energy: -3.4862492539372387
Energy: -3.6711545480786456
Energy: -3.4862492547798336
Energy: -3.0144172843398076
Energy: -3.6151165834868673
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Energy: -3.6151165834884074
Energy: -3.014417284341347
Energy: -3.6151165834876373
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Energy: -3.3203022774132447
Energy: -3.218805376452028
Energy: -3.3203022772947635
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Energy: -3.7173960604625473
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Energy: -3.876065578228318
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Energy: -2.8995692855075377
Energy: -2.9961174997671045
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Energy: -3.5911418730735813
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Energy: -3.1211224295081075
Energy: -2.4607138579176184
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Energy: -3.8326621166184163
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Energy: -3.8326621292485195
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Energy: -3.83266220080469
Energy: -3.6878156212077635
Energy: -3.043363632403521
Energy: -3.3025729107983035
Energy: -3.0433636325920195
Energy: -3.687815621191597
Energy: -3.043363632378117
Energy: -3.8567963061069466
Energy: -3.360902468840764
Energy: -3.2003526155619464
Energy: -3.3609024688630877
Energy: -3.8567963061146444
Energy: -3.3609024688500013
Energy: -3.9946628428447526
Energy: -3.745056169139945
Energy: -3.3627339045119964
Energy: -3.7450561692138122
Energy: -3.9946628428293556
Energy: -3.745056169066848
Energy: -3.4546377054355135
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Energy: -3.271357819645803
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Energy: -3.4546373798993804
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Energy: -3.362694656445242
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Energy: -3.34932922058342
Energy: -3.7898005435327864
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Energy: -3.217936061438192
Energy: -3.3493292205934275
Energy: -3.3364002989696147
Energy: -3.118512306620338
Energy: -3.697823623925518
Energy: -3.118512291474067
Energy: -3.3364002993474173
Energy: -3.1185123203138323
Energy: -3.8251298745562208
Energy: -3.584660762803009
Energy: -3.46526380130649
Energy: -3.584660762810707
Energy: -3.8251298751202483
Energy: -3.5846607628130163
Energy: -3.753058888791417
Energy: -3.1231301466587547
Energy: -2.6222667476880117
Energy: -3.123130151928856
Energy: -3.753058874468496
Energy: -3.123130148984113
Energy: -3.6379727047437296
Energy: -3.301254502149161
Energy: -2.60044045189288
Energy: -3.30125450215301
Energy: -3.6379727047591257
Energy: -3.30125450214993
Energy: -3.9195865241112986
Energy: -3.498031351059311
Energy: -3.347842529589417
Energy: -3.4980313510900687
Energy: -3.9195865257125435
Energy: -3.4980313511224006
Energy: -2.9196039720389595
Energy: -2.957551977984443
Energy: -3.6535411362677808
Energy: -2.9575519779675417
Energy: -2.9196039720558953
Energy: -2.9575519779590738

minimum gb energy = -4.009943160154653 eV
minimum distance =  2.29295923996377 Angstroms
sigma value = 81


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

Energy: -4.062089528617684
Energy: -4.060708579937926
Energy: -2.6584099921085174
Energy: -4.060708579938794
Energy: -4.062089528616269
Energy: -4.060708579938505
Energy: -4.059896890913023
Energy: -4.060097607418161
Energy: -4.061933248444169
Energy: -4.060097607417615
Energy: -4.05989689086497
Energy: -4.060097607417326
Energy: -4.061925771067379
Energy: -4.060552120745104
Energy: -4.06088083984247
Energy: -4.060552120745652
Energy: -4.061925771067668
Energy: -4.0605521207448145
Energy: -3.541161852041104
Energy: -4.060708579938215
Energy: -4.062089528617395
Energy: -4.060708579938215
Energy: -3.541161852040815
Energy: -4.060708579938215
Energy: -4.0619332484444275
Energy: -4.06009760741845
Energy: -4.05989689061928
Energy: -4.060097607417036
Energy: -4.0619332484444275
Energy: -4.060097607417615
Energy: -4.0608808398444305
Energy: -4.0605521207448145
Energy: -4.0619257710668
Energy: -4.0605521207448145
Energy: -4.060880839858574
Energy: -4.060552120745394
Energy: -4.0620895286168155
Energy: -4.060708579938215
Energy: -3.541161852040526
Energy: -4.060708579938215
Energy: -4.0620895286168155
Energy: -4.060708579938505
Energy: -4.059896890646985
Energy: -4.060097607418161
Energy: -4.061933248444169
Energy: -4.060097607417872
Energy: -4.059896890975506
Energy: -4.06009760741845
Energy: -4.0619257710679255
Energy: -4.060552120745652
Energy: -4.060880839847838
Energy: -4.0605521207448145
Energy: -4.06192577106709
Energy: -4.0605521207448145
Energy: -3.5411618520413937
Energy: -4.0607085799390505
Energy: -4.0620895286168155
Energy: -4.060708579938794
Energy: -3.541161852040815
Energy: -4.060708579938505

minimum gb energy = -4.062089528617684 eV
minimum distance =  2.39664516427651 Angstroms
sigma value = 3


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

Energy: -2.6975915781501576
Energy: -2.759608174785142
Energy: -3.1688781362881704
Energy: -2.7596081747402814
Energy: -2.632222273518062
Energy: -2.7596081747614423
Energy: -2.640658943852968
Energy: -3.4633486918975818
Energy: -3.5670993332505603
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Energy: -3.5843277464575687
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Energy: -3.609703112413056
Energy: -3.7660063378971604
Energy: -2.4153097106405084
Energy: -3.7660278970884065

minimum gb energy = -4.620279061230304 eV
minimum distance =  2.35164608796633 Angstroms
sigma value = 67


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

Energy: -5.200732232851952
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Energy: -4.733722824847952
Energy: -5.087028593828488
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Energy: -5.726934425367895
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Energy: -6.13786810472508
Energy: -6.032964011813295
Energy: -4.6064001138554795
Energy: -6.032964011834949
Energy: -5.750036426106437
Energy: -6.108868568620628
Energy: -4.689725793099152
Energy: -6.10886857929682
Energy: -5.724714390888097
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Energy: -5.172046621895393
Energy: -5.117391547352048
Energy: -5.2007322256200075
Energy: -5.080328937714807
Energy: -5.113822948734583
Energy: -5.121177417392149

minimum gb energy = -6.2400691914808375 eV
minimum distance =  2.39207924553257 Angstroms
sigma value = 33


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

Energy: -3.322023016778445
Energy: -3.167101208774595
Energy: -3.6852980954602232
Energy: -3.167101208773065
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Energy: -3.9845659596222722
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Energy: -3.3295281861616286
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Energy: -4.4050069499321864
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Energy: -3.329528189411095
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Energy: -4.722830311680643
Energy: -3.380475347530241
Energy: -3.3928667404546227
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Energy: -4.722830311679913
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Energy: -3.2238608266590836
Energy: -3.432476268375509
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Energy: -3.547474189301042
Energy: -2.565657212082285
Energy: -3.547474189298747
Energy: -4.334903990647486
Energy: -3.547474189300278

minimum gb energy = -5.0077541924255895 eV
minimum distance =  2.34688018230545 Angstroms
sigma value = 41


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

Energy: -5.282370665544976
Energy: -2.9605107473232675
Energy: -4.727391427626789
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Energy: -4.900936684324543
Energy: -5.210964512916067
Energy: -4.802104020722142
Energy: -6.6398587150723
Energy: -4.802237028298655
Energy: -5.22121559581002
Energy: -4.8019148679393515
Energy: -3.833550314280052
Energy: -4.545434690327984
Energy: -5.080748981638092
Energy: -4.545434690317587
Energy: -3.869218066194919
Energy: -4.545434690336339
Energy: -5.281657264189259
Energy: -4.405995256126876
Energy: -4.924375144176987
Energy: -4.417866372086592
Energy: -5.281989453855334
Energy: -4.3959567224049865
Energy: -4.055987296796885
Energy: -4.948077021214978
Energy: -5.087266696781214
Energy: -4.948026618236623
Energy: -4.041872667254413
Energy: -4.948074797108621
Energy: -5.2713280403363445
Energy: -3.9951512194366074
Energy: -2.461241948920634
Energy: -4.0313772181812375
Energy: -5.2894928361137055
Energy: -4.047869130953992
Energy: -4.066801241118553
Energy: -4.961106217018579
Energy: -6.630208123517278
Energy: -4.961106217012312
Energy: -4.046385729737671
Energy: -4.9611062170144
Energy: -5.284000070423776
Energy: -4.406050988221285
Energy: -4.874829039218153
Energy: -4.427582042548996
Energy: -5.289175158300724
Energy: -4.4306671092601535

minimum gb energy = -6.693612008735536 eV
minimum distance =  2.36258182166205 Angstroms
sigma value = 11


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

Energy: -2.776791761864161
Energy: -2.3301102487979155
Energy: -2.4563875596352887
Energy: -2.3301103183443885
Energy: -2.7811616268059143
Energy: -2.330110245512255
Energy: -2.7252120691489665
Energy: -3.091541301533916
Energy: -3.0200813387498533
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Energy: -2.7252120691508024
Energy: -3.0915413018815485
Energy: -3.1275721721482577
Energy: -2.2243429376719095
Energy: -2.9066996455395797
Energy: -2.2243429375095642
Energy: -3.1275721719721257
Energy: -2.224342937510482
Energy: -3.2502649882601617
Energy: -2.8787637546775593
Energy: -2.051600603777381
Energy: -2.855504779664969
Energy: -3.2502649902561314
Energy: -2.8819054027354873
Energy: -2.2222478729248207
Energy: -2.087274887085693
Energy: -2.9525793407837386
Energy: -2.0872748870508424
Energy: -2.222247872918397
Energy: -2.087274886992132
Energy: -2.660650625258919
Energy: -2.4216067664628773
Energy: -1.9183742703641384
Energy: -2.421606766471136
Energy: -2.660650625269931
Energy: -2.4216067664738885
Energy: -2.9936703058982106
Energy: -2.2016791727504543
Energy: -3.2773927157107843
Energy: -2.201679172748619
Energy: -2.9936703058633385
Energy: -2.2016791727504543
Energy: -3.109041751720443
Energy: -3.0601441601866095
Energy: -2.8929688938342544
Energy: -3.060144178763153
Energy: -3.109041751511296
Energy: -3.06014418215614
Energy: -2.939602781104705
Energy: -3.2767984694513492
Energy: -2.8485234899839114
Energy: -3.2767984929527336
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Energy: -3.2767994838473657
Energy: -2.770835282218658
Energy: -2.696717905669167
Energy: -2.8409722436115192
Energy: -2.6967179056893342
Energy: -2.7708352822278344
Energy: -2.6967179056893342
Energy: -3.2648981597688924
Energy: -2.1636362713581416
Energy: -2.4974577320304086
Energy: -2.1636362713526562
Energy: -3.264898159767975
Energy: -2.1636362713563266
Energy: -2.5362724474921308
Energy: -2.4652586037518134
Energy: -2.3523337151289856
Energy: -2.4652586037554842
Energy: -2.536272447552656
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Energy: -2.985185517485421
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Energy: -2.9603005708273433
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Energy: -3.354842159347278
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Energy: -3.539880794857135
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Energy: -2.630132945677973
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Energy: -3.2572548581189666
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Energy: -2.630132945677056
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Energy: -2.357911945278919
Energy: -2.8835850962335616
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Energy: -2.9450725050802924
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Energy: -2.3294081486354776
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Energy: -3.042205999377726
Energy: -2.329408148691435
Energy: -2.070178656830752
Energy: -2.631308767772576
Energy: -2.9537747172591744
Energy: -2.6313087678743963
Energy: -2.0701786569087126
Energy: -2.631308767664332
Energy: -3.1344459534655527
Energy: -2.570445117448333
Energy: -2.7973447390923276
Energy: -2.5704450045360767
Energy: -3.154840678521816
Energy: -2.5704453064958397
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Energy: -2.7008356412952943
Energy: -3.075826306385646
Energy: -2.7008362476859586
Energy: -2.8582929930473933
Energy: -2.7009040091762664
Energy: -3.501922390475881
Energy: -2.3094092116069853
Energy: -2.89200678267084
Energy: -2.3094094227341015
Energy: -3.5019224123619446
Energy: -2.309409353138992
Energy: -2.8749802806422458
Energy: -2.266887933701233
Energy: -3.1260680110962618
Energy: -2.266887934065384
Energy: -2.8749802806330687
Energy: -2.2668879324895235
Energy: -2.68422838873817
Energy: -2.4876399995486107
Energy: -3.0677123621210005
Energy: -2.4876399995476928
Energy: -2.6842283887289935
Energy: -2.487639999553199
Energy: -2.2125059323996723
Energy: -2.42020801958014
Energy: -2.5396638845522537
Energy: -2.4202080198745892
Energy: -2.212505932409767
Energy: -2.420208019566374
Energy: -3.1323516772398503
Energy: -2.1592635107712366
Energy: -2.4090652608349243
Energy: -2.159263489413526
Energy: -3.132351677205896
Energy: -2.1592635007766665
Energy: -2.5196511790345966
Energy: -2.584042431521304
Energy: -3.09363174505006
Energy: -2.584042332901018
Energy: -2.5196511790345966
Energy: -2.584042637470426
Energy: -3.063325701326796
Energy: -2.745256737062374
Energy: -2.9733665459223935
Energy: -2.7452567369880843
Energy: -3.063326481998746
Energy: -2.745256737017429
Energy: -3.0146911816254427
Energy: -2.7078937014023032
Energy: -2.9401820372635257
Energy: -2.726414613884828
Energy: -3.014691181623607
Energy: -2.718149080850534

minimum gb energy = -3.539880794873653 eV
minimum distance =  2.33619580803619 Angstroms
sigma value = 57


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

Energy: -2.838397806141862
Energy: -2.789387861549935
Energy: -3.7923708503439966
Energy: -2.7893878616413468
Energy: -2.8383978476821143
Energy: -2.789387861559733
Energy: -3.3423896703083127
Energy: -3.728871329495301
Energy: -2.8886245456985473
Energy: -3.53452958741907
Energy: -3.3423896574817293
Energy: -3.728871329498567
Energy: -3.4950449634899825
Energy: -3.5488784576876613
Energy: -4.309615669659247
Energy: -3.5488784532069917
Energy: -3.4950449796203125
Energy: -3.5488785637981843
Energy: -3.5254889795920836
Energy: -3.3269100881701155
Energy: -3.526958519168094
Energy: -3.42706742901266
Energy: -3.5254889851369993
Energy: -3.326910071631717
Energy: -3.709337680670478
Energy: -3.501232109938049
Energy: -3.307131601174611
Energy: -3.5012321096360886
Energy: -3.709337680014301
Energy: -3.5012321098760313
Energy: -2.8674584070666045
Energy: -3.7356368884942133
Energy: -3.333521004541753
Energy: -3.7356368884795534
Energy: -2.8674584070666045
Energy: -3.735636888316326
Energy: -3.4765054093208962
Energy: -2.789387861559733
Energy: -2.8383978094505444
Energy: -2.789387861556467
Energy: -3.476505426582388
Energy: -2.7893878615287058
Energy: -2.888624545695281
Energy: -3.899790694168298
Energy: -3.342389644490322
Energy: -3.8997907696586034
Energy: -2.8886245457083453
Energy: -3.534779837892012
Energy: -4.3096156722366326
Energy: -3.54887844038861
Energy: -3.495045000882552
Energy: -3.5488785591461225
Energy: -4.309615669375213
Energy: -3.548878457162052
Energy: -3.526958519226883
Energy: -3.4270674462268316
Energy: -3.525488975238752
Energy: -3.4270673868096995
Energy: -3.526958519207287
Energy: -3.5519093269825643
Energy: -3.307131601176207
Energy: -3.5012321096279235
Energy: -3.7093376807602567
Energy: -3.501232109717703
Energy: -3.3071316011697123
Energy: -3.5012321097895183
Energy: -3.33352099750166
Energy: -3.735636888286931
Energy: -2.8674584070666045
Energy: -3.7356368883130595
Energy: -3.3335209963492685
Energy: -3.7356368883865088
Energy: -2.8383977947419434
Energy: -2.7893878616135854
Energy: -3.4765059366742066
Energy: -2.789387861569531
Energy: -2.8383978125959617
Energy: -2.789387861580962
Energy: -3.3423896340681356
Energy: -3.5275906673404425
Energy: -2.8886245457034465
Energy: -3.5273219940971035
Energy: -3.3423896519139884
Energy: -3.5279470117497453
Energy: -3.4950450108379174
Energy: -3.548878352553238
Energy: -4.309615673550619
Energy: -3.548878396930415
Energy: -3.495045025109055
Energy: -3.5488783414405813
Energy: -3.525488977868395
Energy: -3.551909327477146
Energy: -3.526958519197488
Energy: -3.551909327679566
Energy: -3.5254889761528343
Energy: -3.551909327480412
Energy: -3.709337705971025
Energy: -3.5012321098450037
Energy: -3.30713160116318
Energy: -3.5012321096997394
Energy: -3.709337705052043
Energy: -3.5012321097226016

minimum gb energy = -4.309615673550619 eV
minimum distance =  2.30347918758543 Angstroms
sigma value = 9


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

Energy: -3.7842517721520688
Energy: -3.7843135421541163
Energy: -4.6892147918504925
Energy: -3.7843135421541163
Energy: -3.784251772141402
Energy: -3.7843135421527827
Energy: -4.711895224197491
Energy: -4.160559334726393
Energy: -4.398257200362552
Energy: -4.160559338027658
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Energy: -4.160559339459044
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Energy: -4.639405183353312
Energy: -4.5026674938734175
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Energy: -5.173808503805834
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Energy: -3.8019495989610577
Energy: -4.035635955377869
Energy: -4.499790885433747
Energy: -4.035585478416367
Energy: -3.8019479336358315
Energy: -4.035585780517609
Energy: -4.248442676651908
Energy: -3.643094855141823
Energy: -4.478131069474757
Energy: -3.642510520355221
Energy: -4.248442676651908
Energy: -3.642392700068717
Energy: -4.131693540411854
Energy: -3.981401193152769
Energy: -4.580906973443921
Energy: -3.9814000073847615
Energy: -4.131693540294579
Energy: -3.9813996421212523
Energy: -4.25369800210062
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Energy: -4.55735228361255
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Energy: -4.272321418119522
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Energy: -3.7719728606032117
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Energy: -4.978784725961775
Energy: -4.557861593337148
Energy: -4.978784912916326
Energy: -4.979430524420299
Energy: -4.978784622927244
Energy: -5.248942336191234
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Energy: -3.9097650087108002
Energy: -5.248933689847493
Energy: -3.909765005497507
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Energy: -4.469144501821861
Energy: -4.766922377407915
Energy: -4.469082645039659
Energy: -4.185433022484512
Energy: -4.4690971556843895
Energy: -4.705132706146097
Energy: -4.5411413915603065
Energy: -5.332024368099871
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Energy: -4.705021739256824
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Energy: -5.254333764351125
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Energy: -4.268874211052449
Energy: -4.626278287260443
Energy: -4.6166544451502345
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Energy: -4.62617480721035
Energy: -4.278642151553575
Energy: -3.8363581958114437
Energy: -5.367230673680053
Energy: -3.8363581958141104
Energy: -4.278642151553575
Energy: -3.8363581958154436
Energy: -4.2026757630677105
Energy: -3.6200110605694205
Energy: -4.849669743440241
Energy: -3.6200109307637094
Energy: -4.202675763069045
Energy: -3.6200110041842595
Energy: -4.697409550599806
Energy: -5.046958410240952
Energy: -4.622218829735386
Energy: -5.046954456128319
Energy: -4.697409550589139
Energy: -5.046963421006258
Energy: -5.247351017485283
Energy: -4.060367435570001
Energy: -4.586620152059997
Energy: -4.060322469231674
Energy: -5.247351017458646
Energy: -4.060382349132804
Energy: -5.901487707712111
Energy: -4.4395614863362525
Energy: -4.510033075386511
Energy: -4.439560801590924
Energy: -5.901487688928148
Energy: -4.439561082169403
Energy: -4.1898398285822145
Energy: -4.249522014036643
Energy: -4.753345546026799
Energy: -4.249522014056644
Energy: -4.1898398285822145
Energy: -4.2495220140553105

minimum gb energy = -5.901487707712111 eV
minimum distance =  2.33883202459196 Angstroms
sigma value = 27


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

Energy: -3.157257802629868
Energy: -3.4959573489270035
Energy: -3.42583075903936
Energy: -3.4959578302794942
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Energy: -3.316424679183649
Energy: -3.3582098038714316
Energy: -2.638019419891645
Energy: -3.9389898725613657
Energy: -3.3893671858688807
Energy: -3.938989872562489
Energy: -2.6380194198736615
Energy: -3.9389898725613657
Energy: -2.5334797110739418
Energy: -3.6876814109514497
Energy: -3.056795376532415
Energy: -3.6876814005395766
Energy: -2.533479711078412
Energy: -3.6876814010361447
Energy: -2.989991012854622
Energy: -3.6120469602290806
Energy: -2.639861871483206
Energy: -3.612046960434681
Energy: -2.9899910128456306
Energy: -3.612046960598697
Energy: -3.8501653546703167
Energy: -3.905511528220462
Energy: -3.0182804470021423
Energy: -3.9055115281923896
Energy: -3.850123924149282
Energy: -3.905511528237321

minimum gb energy = -3.938989872562489 eV
minimum distance =  2.30076887025708 Angstroms
sigma value = 19


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

Energy: -2.763694977681261
Energy: -1.7587855271001231
Energy: -2.3585453652991752
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Energy: -2.8485714402163733
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Energy: -2.267383319906502
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Energy: -2.113673637050548
Energy: -2.2334480112001165
Energy: -1.8635700799192867
Energy: -2.5554591264191004
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Energy: -2.2334480112010864
Energy: -1.8635700799241375
Energy: -2.5050497461277272
Energy: -2.514943353350945
Energy: -2.3966236041400415
Energy: -2.514943353350945
Energy: -2.5050497461296675
Energy: -2.514943353350945
Energy: -2.6633797950871316
Energy: -2.5096205447269306
Energy: -2.3142589905648623
Energy: -2.50962054472499
Energy: -2.663379795088102
Energy: -2.50962054472499
Energy: -2.282175339560388
Energy: -2.385935596658249
Energy: -2.4974771525789814
Energy: -2.3859355966563305
Energy: -2.282175339560388
Energy: -2.385935596660189
Energy: -2.7358222525487297
Energy: -2.817822257847176
Energy: -2.584414198140391
Energy: -2.817822257961611
Energy: -2.7358222525487297
Energy: -2.8178222580411196
Energy: -2.6169276582902103
Energy: -2.397363300005595
Energy: -2.604410033808421
Energy: -2.397363300010446
Energy: -2.6169276582902103
Energy: -2.397363300009476
Energy: -1.9213103796526527
Energy: -3.365629675194212
Energy: -2.8172366240546785
Energy: -3.3656278117870753
Energy: -1.9213103796448916
Energy: -3.365630450506517

minimum gb energy = -3.3656401158167837 eV
minimum distance =  2.31049194449844 Angstroms
sigma value = 101


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

Energy: -3.3838685790329226
Energy: -3.044631612306826
Energy: -3.005996131843783
Energy: -3.044631612301709
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Energy: -3.003719512513973
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Energy: -2.790576880159013
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Energy: -2.685217371484724
Energy: -2.8913118710490564
Energy: -2.8975417587185435
Energy: -2.348528522392434
Energy: -2.8975417581175793
Energy: -2.8913118710482033
Energy: -2.8975417582880647
Energy: -3.2775691738350936
Energy: -2.711175591225258
Energy: -2.93590165659475
Energy: -2.7111755893089797
Energy: -3.277569173883665
Energy: -2.711175590344686
Energy: -2.1843284568530645
Energy: -2.8521947479932175
Energy: -3.063984855046782
Energy: -2.852194751288771
Energy: -2.184328456852211
Energy: -2.8521947546328574
Energy: -3.260848013724292
Energy: -3.301177067684038
Energy: -2.529188969190712
Energy: -3.3011774005720405
Energy: -3.260848013670604
Energy: -3.30117718957835
Energy: -3.061130448116557
Energy: -2.837680944849636
Energy: -2.762209783806309
Energy: -2.837681329059503
Energy: -3.0611304481097346
Energy: -2.837681599208912

minimum gb energy = -3.4195051256360482 eV
minimum distance =  2.32454734743941 Angstroms
sigma value = 33


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

Energy: 0.014960469658069133
Energy: -0.27601007016775386
Energy: -5.524299308248111
Energy: -0.2760100701656675
Energy: 0.014960469658069133
Energy: -0.276010070164959
Energy: 0.016208709977089713
Energy: 0.3077578883543022
Energy: 0.016208709977089713
Energy: 0.3077578883543022
Energy: 0.016208709977089713
Energy: 0.3077578883543022
Energy: -4.822327879153109
Energy: -0.2760100701691317
Energy: 0.014960469658069133
Energy: -0.276010070164959
Energy: -4.822327879153817
Energy: -0.27601007016428974
Energy: 0.016208709977089713
Energy: 0.3077578883543022
Energy: 0.016208709977089713
Energy: 0.3077578883543022
Energy: 0.016208709977089713
Energy: 0.3077578883543022

minimum gb energy = -5.524299308248111 eV
minimum distance =  2.46486154898278 Angstroms
sigma value = 1