Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665000349283223
cohesive_energy=4.280336677243816
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.014888170141068486
Energy: 0.015156222123095541
Energy: 0.015128539755591528
Energy: 2.1961684624581337
Energy: 0.015128539754677164
Energy: 0.015156222123774784
Energy: 0.014888170141303612
Energy: 0.01515622212353966
Energy: 0.015128539754677164
Energy: 1.3005975033864243
Energy: 0.7591218083350901
Energy: 0.015290093351441037
Energy: 0.01703309976992845
Energy: 0.7571495069890753
Energy: 0.017033099770398692
Energy: 0.015290093351441037
Energy: 0.7591218083350901
Energy: 0.015290093351676158
Energy: 0.017033099770398692
Energy: 0.7571495069895455
Energy: 0.014888170140833365
Energy: 0.015156222123774784
Energy: 0.015128539754677164
Energy: 2.1961684621515865
Energy: 0.015128539754442042
Energy: 0.01515622212353966
Energy: 0.014888170141303612
Energy: 0.015156222123330662
Energy: 0.015128539754442042
Energy: 1.3005975033229933
Energy: 0.7591218083350901
Energy: 0.015290093351441037
Energy: 0.017033099770398692
Energy: 0.7571495069895455
Energy: 0.017033099770633813
Energy: 0.015290093351911279
Energy: 0.7591218083357955
Energy: 0.015290093351676158
Energy: 0.017033099770398692
Energy: 0.7571495069890753
Energy: 0.014888170141512608
Energy: 0.015156222123330662
Energy: 0.015128539755356406
Energy: 2.1808298435045916
Energy: 0.015128539754677164
Energy: 0.015156222123330662
Energy: 0.014888170141068486
Energy: 0.015156222123330662
Energy: 0.015128539754677164
Energy: 1.3005975033802064
Energy: 0.7591218083348551
Energy: 0.015290093351441037
Energy: 0.01703309976992845
Energy: 0.7571495069888402
Energy: 0.017033099770398692
Energy: 0.015290093351441037
Energy: 0.7591218083353253
Energy: 0.015290093351441037
Energy: 0.017033099770398692
Energy: 0.7571495069897545
Energy: 0.014888170140833365
Energy: 0.01515622212353966
Energy: 0.015128539755121285
Energy: 1.9683131505361338
Energy: 0.015128539754442042
Energy: 0.015156222123774784
Energy: 0.014888170141068486
Energy: 0.015156222123330662
Energy: 0.015128539754442042
Energy: 1.9683131503571012

minimum gb energy = 0.014888170140833365 eV
minimum distance =  2.32105413103463 Angstroms
sigma value = 3


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

Energy: 1.4257957679976245
Energy: 1.3710926893339843
Energy: 1.3753963811907766
Energy: 1.4659952138738401
Energy: 1.3657295570797254
Energy: 1.3655471981237854
Energy: 1.4257957684169524
Energy: 1.3710926893396156
Energy: 1.3753963811913397
Energy: 1.4166900565965683
Energy: 1.375871238231114
Energy: 1.3723382518395
Energy: 1.3664594627575335
Energy: 1.377433007409397
Energy: 1.3554010473931073
Energy: 1.343269399527199
Energy: 1.375871238235619
Energy: 1.3723382518423157
Energy: 1.3664594627547177
Energy: 1.3774330074150285
Energy: 1.3353057723697332
Energy: 1.3332024173428623
Energy: 1.3283465736374773
Energy: 1.3395911679099313
Energy: 1.347347107681076
Energy: 1.3514157186825264
Energy: 1.3353057724282988
Energy: 1.3332024173411727
Energy: 1.328346573635225
Energy: 1.3395911679127468
Energy: 1.3254342773562364
Energy: 1.298570918533133
Energy: 1.304198902173646
Energy: 1.3146675172795732
Energy: 1.304062043428918
Energy: 1.3455379827092127
Energy: 1.3254342773551102
Energy: 1.2985709185320065
Energy: 1.3041989021685776
Energy: 1.3146675172801363
Energy: 1.305530141280787
Energy: 1.3030906118795487
Energy: 1.3051794433787995
Energy: 1.312432930532468
Energy: 1.297778553058308
Energy: 1.2835093655116747
Energy: 1.305530141276282
Energy: 1.303090611877296
Energy: 1.3051794433787995
Energy: 1.312432930531905
Energy: 1.3149534567216332
Energy: 1.337621794655281
Energy: 1.315298481504171
Energy: 1.331693569124279
Energy: 1.3196667103750503
Energy: 1.2940937699639337
Energy: 1.3066851602982614
Energy: 1.3376217946580968
Energy: 1.3152984815030448
Energy: 1.3316935691214633
Energy: 1.3226294770248725
Energy: 1.3037438473765512
Energy: 1.3285911001781405
Energy: 1.3342434312263536
Energy: 1.2766484872295942
Energy: 1.352922056215541
Energy: 1.3226294770299407
Energy: 1.303743847375425
Energy: 1.3285911001775774
Energy: 1.3342434312302955
Energy: 1.3457167390619207
Energy: 1.3746848518019323
Energy: 1.3511097132331435
Energy: 1.3306825401323765
Energy: 1.3450076606353496
Energy: 1.3522350560313936
Energy: 1.3457167390692417
Energy: 1.374684851795738
Energy: 1.3511097132370853
Energy: 1.3306825401318132
Energy: 1.3723324874745095
Energy: 1.3673264454853777
Energy: 1.337031443192383
Energy: 1.387568081636802
Energy: 1.3583133115324029
Energy: 1.4092918614732937
Energy: 1.372332487475636
Energy: 1.3673264454938248
Energy: 1.337031443193509
Energy: 1.3875680813361924
Energy: 1.3578380004324162
Energy: 1.3570869933238718
Energy: 1.3867743328388338
Energy: 1.3735752726332713
Energy: 1.3553046852910298
Energy: 1.396891521189453
Energy: 1.3748537861976537
Energy: 1.3570869933176772
Energy: 1.3867743328332023
Energy: 1.3735752726338346
Energy: 1.307899662014739
Energy: 1.3567671959125367
Energy: 1.275757907509154
Energy: 1.3364217787593589
Energy: 1.3509855842188345
Energy: 1.3679899630774552
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Energy: 1.356767195910847
Energy: 1.2757579075069017
Energy: 1.336421778759922
Energy: 1.3273312516907683
Energy: 1.3025671060415154
Energy: 1.319133721834518
Energy: 1.3311521540538982
Energy: 1.3114189718926066
Energy: 1.3018759535147484
Energy: 1.327331251695273
Energy: 1.302567106039263
Energy: 1.319133721837334
Energy: 1.3311521540550246
Energy: 1.3261172360547604
Energy: 1.2970866522538271
Energy: 1.3217107117873474
Energy: 1.3126269174833798
Energy: 1.3273376942319748
Energy: 1.2723795948701102
Energy: 1.3261172360519446
Energy: 1.2970866522532638
Energy: 1.321710711790163
Energy: 1.3126269174861955
Energy: 1.3094318692589326
Energy: 1.3248627530379897
Energy: 1.303155347589536
Energy: 1.3027466960197536
Energy: 1.2692747644149978
Energy: 1.3107289859239921
Energy: 1.3094318692583695
Energy: 1.3248627530368633
Energy: 1.303155347584468
Energy: 1.302746696021955
Energy: 1.3452437215064423
Energy: 1.3406706048746464
Energy: 1.2980588445690118
Energy: 1.3289611624535922
Energy: 1.3020408527502954
Energy: 1.3110692640702937
Energy: 1.3452437215019375
Energy: 1.3406706048774621
Energy: 1.2980588445712642
Energy: 1.3289611624806226
Energy: 1.337476039566281
Energy: 1.3108053827805914
Energy: 1.3544182054761669
Energy: 1.318508935225717
Energy: 1.3266416715381937
Energy: 1.3513526736080337
Energy: 1.3374760395606495
Energy: 1.3108053827839705
Energy: 1.354418205477293
Energy: 1.3185089352251538
Energy: 1.3425368890066371
Energy: 1.34564413031336
Energy: 1.3468514947700754
Energy: 1.3019504999137221
Energy: 1.3959270225237426
Energy: 1.3857072069182348
Energy: 1.3425368890032583
Energy: 1.3456441303144864
Energy: 1.3468514947700754
Energy: 1.3081499294790813
Energy: 1.4220703313443799
Energy: 1.3149572643373577
Energy: 1.3837571748744364
Energy: 1.3053643271847488
Energy: 1.3336171919958852
Energy: 1.3756865189104828
Energy: 1.4220703313393115
Energy: 1.3149572643362317
Energy: 1.383757174872747
Energy: 1.3053643271802438
Energy: 1.3472132318424976
Energy: 1.3224639105600737
Energy: 1.366216485928664
Energy: 1.3445755276212097
Energy: 1.3532067012643
Energy: 1.3433122852237238
Energy: 1.3472132318436238
Energy: 1.3224639105032487
Energy: 1.3662164859241592
Energy: 1.344575527623462
Energy: 1.338816346489628
Energy: 1.3136126424137926
Energy: 1.3098419103782477
Energy: 1.3231525454774198
Energy: 1.3131237955673634
Energy: 1.3144659290834984
Energy: 1.338816346481181
Energy: 1.3136126424087244
Energy: 1.3098419103788108
Energy: 1.323152545488682
Energy: 1.3069529011637588
Energy: 1.330446031366847
Energy: 1.3230780491706613
Energy: 1.304026646845016
Energy: 1.2942591743465515
Energy: 1.3354193530130662
Energy: 1.306952901166011
Energy: 1.3304460313685362
Energy: 1.3230780491661562
Energy: 1.3190863625425537
Energy: 1.3095869236418043
Energy: 1.3012459511843886
Energy: 1.3200289521853519
Energy: 1.3056836121824182
Energy: 1.29427410716939
Energy: 1.3207827707305686
Energy: 1.309586923640678
Energy: 1.301245951186078
Energy: 1.3200289521819728
Energy: 1.305683612184108
Energy: 1.3185951108505651
Energy: 1.309693762457121
Energy: 1.3156915260714415
Energy: 1.3117286329566578
Energy: 1.345204983656497
Energy: 1.2967806296507491
Energy: 1.3185951108460603
Energy: 1.3096937624554317
Energy: 1.3156915260714415
Energy: 1.3117286329639783
Energy: 1.3630319335019234
Energy: 1.3215807578448677
Energy: 1.34284171047433
Energy: 1.3351565542222472
Energy: 1.3396719339064955
Energy: 1.3558651739866199
Energy: 1.3630319335030499
Energy: 1.3215807578431782
Energy: 1.342841710479961
Energy: 1.33515655421549
Energy: 1.3319411625935014
Energy: 1.3984632365758989
Energy: 1.3271453163139748
Energy: 1.2896177421942738
Energy: 1.3453681025360698
Energy: 1.3567658807714833
Energy: 1.331941162595191
Energy: 1.3984632365933563
Energy: 1.327145316319043
Energy: 1.2896177421954
Energy: 1.4217558296317852
Energy: 1.3656590541900637
Energy: 1.3888541401999777
Energy: 1.449314274765916
Energy: 1.3710926893356739
Energy: 1.3753963811896504
Energy: 1.416690056594316
Energy: 1.3656590541883744
Energy: 1.3888541401920937
Energy: 1.4493142742429717
Energy: 1.3774330074122125
Energy: 1.3554010473931073
Energy: 1.3432693995266358
Energy: 1.375871238229988
Energy: 1.3723382518411895
Energy: 1.3664594627592226
Energy: 1.3774330074133387
Energy: 1.3554010473925442
Energy: 1.343269399522694
Energy: 1.3758712382277354
Energy: 1.3630319335007972
Energy: 1.3473471076861443
Energy: 1.3334627977379034
Energy: 1.3353057723151607
Energy: 1.3332024173406098
Energy: 1.3283465736329725
Energy: 1.363031933498545
Energy: 1.3473471076827654
Energy: 1.3514157186808369
Energy: 1.3353057723224813
Energy: 1.314667517282389
Energy: 1.3040620434300443
Energy: 1.3459109458368552
Energy: 1.3254342773573626
Energy: 1.2985709185291912
Energy: 1.3041989021623834
Energy: 1.3146675172801363
Energy: 1.304062043433986
Energy: 1.3459109458317868
Energy: 1.3254342773579255

minimum gb energy = 1.2692747644149978 eV
minimum distance =  2.31202716700362 Angstroms
sigma value = 75


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

Energy: 1.4682585025559074
Energy: 1.3531696261166077
Energy: 1.3492642961722139
Energy: 1.532883942448357
Energy: 1.339961396508659
Energy: 1.3592203491108972
Energy: 1.4682579813023946
Energy: 1.3531696260671722
Energy: 1.3492642961719392
Energy: 1.3659076230422955
Energy: 1.4146310188521494
Energy: 1.2909500887595737
Energy: 1.432545795477754
Energy: 1.3664421421782524
Energy: 1.2968477617791312
Energy: 1.3621046439279088
Energy: 1.4146310188524243
Energy: 1.2923296940082019
Energy: 1.432545795480477
Energy: 1.3602218925543228
Energy: 1.3033621215315785
Energy: 1.3402680465537848
Energy: 1.3109311935726446
Energy: 1.3076636245947861
Energy: 1.2773315015287265
Energy: 1.308280709504414
Energy: 1.3033621215313036
Energy: 1.3402680465502126
Energy: 1.310931193570996
Energy: 1.3076636245964348
Energy: 1.3109497877260354
Energy: 1.3103341822159875
Energy: 1.3007293069043928
Energy: 1.3083428960593564
Energy: 1.3129186217258406
Energy: 1.3012849081900055
Energy: 1.31094978771999
Energy: 1.3103341822184604
Energy: 1.3007293069074153
Energy: 1.3083428960772168
Energy: 1.344283264442437
Energy: 1.303181932067319
Energy: 1.2954422261374747
Energy: 1.3000399644819518
Energy: 1.3446856776993141
Energy: 1.3126175045852968
Energy: 1.344283264443536
Energy: 1.3031819321846003
Energy: 1.2954422261352767
Energy: 1.3000399644800285
Energy: 1.4358595254321413
Energy: 1.3226867768042478
Energy: 1.3399856197750255
Energy: 1.29769759117634
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Energy: 1.4214325457648185
Energy: 1.4358595254362632
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Energy: 1.2976975911810116
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Energy: 1.380545929271777
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Energy: 1.336583631997299
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Energy: 1.3521505830702836
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Energy: 1.3036179179727154
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Energy: 1.3119406933278241
Energy: 1.3036179179587017
Energy: 1.3034227276729708
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Energy: 1.294998225545629
Energy: 1.3074655979047158
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Energy: 1.369943485645358
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Energy: 1.297373308375212
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Energy: 1.301304038803454
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Energy: 1.339631662614173
Energy: 1.4217722110102153
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Energy: 1.2995929264956203
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Energy: 1.309237441750383
Energy: 1.3011147414407063
Energy: 1.2946900010699862
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Energy: 1.3092374417468107
Energy: 1.3011147414429045
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Energy: 1.3128136557018701
Energy: 1.2920461736426538
Energy: 1.341373217381712
Energy: 1.3030983474347329
Energy: 1.3348109205473468
Energy: 1.2964135149646459
Energy: 1.3128136557048926
Energy: 1.2920461736443025
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Energy: 1.3952466545942037
Energy: 1.4048100947825934
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Energy: 1.367504845468891
Energy: 1.2936363798758768
Energy: 1.3609645357125222
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Energy: 1.4048100947809448
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Energy: 1.3837597473893701
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Energy: 1.336170380116148
Energy: 1.454055430156307
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Energy: 1.2743393740140236
Energy: 1.3837597473602434
Energy: 1.4327196856932436
Energy: 1.3361703801123013
Energy: 1.4269837391207238
Energy: 1.3603024799565053
Energy: 1.2982008316995417
Energy: 1.3800824653976016
Energy: 1.3643241470608893
Energy: 1.4215237199227289
Energy: 1.4269837391234714
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minimum gb energy = 1.2592098273389476 eV
minimum distance =  2.30620728622048 Angstroms
sigma value = 105


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

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Energy: 1.2863118618397187
Energy: 1.3502909192554913
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Energy: 1.3337395555941811
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Energy: 1.2772735313493073
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Energy: 1.3496362790902448
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Energy: 1.2990418773535428
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Energy: 1.3496362790992344
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Energy: 1.28536163740185
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Energy: 1.333311012791464
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Energy: 1.3302095262665183
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Energy: 1.3267584843798743
Energy: 1.2892037625507828
Energy: 1.289411334509184
Energy: 1.2858049748710274
Energy: 1.3302095246865657
Energy: 1.2892901733494562
Energy: 1.3522929444335683
Energy: 1.289900856403138
Energy: 1.2842669096096635
Energy: 1.288623798358876
Energy: 1.3970014267092614
Energy: 1.3309674710567727
Energy: 1.3522929444320186
Energy: 1.289900856402518
Energy: 1.2842669096078039
Energy: 1.288623798364456
Energy: 1.3175275261652712
Energy: 1.291567858946437
Energy: 1.2559579333604702
Energy: 1.3092983121295767
Energy: 1.43199278050099
Energy: 1.2767645066754099
Energy: 1.3175275262390218
Energy: 1.291567858948917
Energy: 1.2559579334636417
Energy: 1.3092983129587534
Energy: 1.330325519652512
Energy: 1.2846862038503062
Energy: 1.2859688900241233
Energy: 1.3546798305122325
Energy: 1.295102387016468
Energy: 1.368960036990536
Energy: 1.3303255196531316
Energy: 1.2846862038496862
Energy: 1.2859688900250532
Energy: 1.3546798305125427
Energy: 1.256216925854476
Energy: 1.3298224252465756
Energy: 1.2849047960782325
Energy: 1.291175106248081
Energy: 1.5240121738160792
Energy: 1.2844709232430083
Energy: 1.2562169258566456
Energy: 1.3298224252462654
Energy: 1.2849047960779223
Energy: 1.2911751062459111
Energy: 1.2928176816092765
Energy: 1.3505445595160404
Energy: 1.2861806092783195
Energy: 1.2844771708860658
Energy: 1.290396571303926
Energy: 1.28900439115047
Energy: 1.2928176816108266
Energy: 1.35054455951728
Energy: 1.2861806092789396
Energy: 1.2844771708860658
Energy: 1.2766449572066842
Energy: 1.347275648641651
Energy: 1.3389303221529594
Energy: 1.2873793773272484
Energy: 1.3471346203596468
Energy: 1.395770035470818
Energy: 1.2766449572001746
Energy: 1.3472756486463013
Energy: 1.3389303221541995
Energy: 1.2873793773250788

minimum gb energy = 1.2554027139407862 eV
minimum distance =  2.31740667167295 Angstroms
sigma value = 165


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

Energy: 1.4207101910177495
Energy: 1.3367487313576694
Energy: 1.2436271030709698
Energy: 1.6297786730141066
Energy: 1.2437618027227473
Energy: 1.3368717438198658
Energy: 1.420710191016685
Energy: 1.3367487313576694
Energy: 1.2436271030709698
Energy: 1.2780300954820742
Energy: 1.2511825648099
Energy: 1.2523823150591271
Energy: 1.2429632636495023
Energy: 1.2905515712065618
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Energy: 1.2523823150633842
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Energy: 1.30522900495036
Energy: 1.3470051735284807
Energy: 1.2980095854745426
Energy: 1.2484090488494686
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Energy: 1.2506942484077017
Energy: 1.2574342250437498
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Energy: 1.2962384939663845
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Energy: 1.296849575537027
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Energy: 1.2505869187826542
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Energy: 1.2776967700610442
Energy: 1.2867004451634336
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Energy: 1.3042363307200078
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Energy: 1.2776967700599802
Energy: 1.2867004451644979
Energy: 1.2521877248658884
Energy: 1.2815363596985685
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Energy: 1.2975267482092625
Energy: 1.2505091143658458
Energy: 1.2435484425719059
Energy: 1.2430416807922748
Energy: 1.2815363596985685
Energy: 1.2437889013464938
Energy: 1.297526748291159
Energy: 1.2505091143615892
Energy: 1.2961320926901907
Energy: 1.251310345965581
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Energy: 1.3474550347576153
Energy: 1.2498595285702008
Energy: 1.2488609470077325
Energy: 1.2961320925561475
Energy: 1.2513103458804438
Energy: 1.4001345751751528
Energy: 1.3474550347565508
Energy: 1.2506188336527757
Energy: 1.253864958763208
Energy: 1.2574491088515671
Energy: 1.2510748772871592
Energy: 1.2451603201551995
Energy: 1.2796048326251623
Energy: 1.2506188336506472
Energy: 1.2538649587589992
Energy: 1.2574491088505029
Energy: 1.2510748772871592
Energy: 1.2482649136180783
Energy: 1.298009585476671
Energy: 1.3469959153295412
Energy: 1.305036840720401
Energy: 1.3032777630660237
Energy: 1.2492735281905045
Energy: 1.2482649136180783
Energy: 1.2980095854734786
Energy: 1.3469959153316697
Energy: 1.3050368407214654
Energy: 1.2903416466826751
Energy: 1.242864844590278
Energy: 1.250162267742739
Energy: 1.2511746142606253
Energy: 1.2503204445730793
Energy: 1.2452895232219616
Energy: 1.2903416466805466
Energy: 1.2428648445796355
Energy: 1.2501622677331607
Energy: 1.2511746142595612
Energy: 1.5770337622049697
Energy: 1.2437618027227473
Energy: 1.33687174382093
Energy: 1.420710191016685
Energy: 1.336748731356605
Energy: 1.2436271030709698
Energy: 1.278030095505487
Energy: 1.2437618027216828
Energy: 1.3368717438219944
Energy: 1.420710191015621

minimum gb energy = 1.242563147148046 eV
minimum distance =  2.29737965390823 Angstroms
sigma value = 41


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

Energy: 1.2233231973654068
Energy: 1.241321921480013
Energy: 1.186473946751375
Energy: 1.522846481902201
Energy: 1.2057684595011604
Energy: 1.2254206869566455
Energy: 1.2233231987146023
Energy: 1.241321921477573
Energy: 1.186473946774085
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Energy: 1.2134062404038612
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Energy: 1.3333694030630991
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Energy: 1.1810973626705763
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Energy: 1.333369403067641
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Energy: 1.1810973626693373
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Energy: 1.1874505859162583
Energy: 1.2143359478778932
Energy: 1.1827113083500946
Energy: 1.1939464311029355
Energy: 1.2381506471930759
Energy: 1.1891967234215521
Energy: 1.1756409735471656
Energy: 1.2390169429069873
Energy: 1.1827113083546363
Energy: 1.1939464310971548
Energy: 1.2381506471868824
Energy: 1.1891967234298104
Energy: 1.2297122574541386
Energy: 1.1923430611914396
Energy: 1.2552045428491145
Energy: 1.18174706076329
Energy: 1.1789283657461263
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Energy: 1.2297122574491837
Energy: 1.192343061189375
Energy: 1.255204542863566
Energy: 1.18174706076329
Energy: 1.1544661850578475
Energy: 1.1544313585117076
Energy: 1.2365885616267953
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Energy: 1.2312615931664936
Energy: 1.2028162031508658
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Energy: 1.1544313587325383
Energy: 1.2365885616325758
Energy: 1.1864923613777891
Energy: 1.1800294104340214
Energy: 1.155025214458229
Energy: 1.2328648042005734
Energy: 1.1877533784859018
Energy: 1.2124736356918235
Energy: 1.1808610522601597
Energy: 1.1800294104051179
Energy: 1.1550252141474595
Energy: 1.2328648042179156
Energy: 1.1877533784838372
Energy: 1.2170791632628184
Energy: 1.1813494721604842
Energy: 1.2510396896827305
Energy: 1.2368084711302267
Energy: 1.1897001407903514
Energy: 1.1743508132330795
Energy: 1.2170791632632314
Energy: 1.1813494719759894
Energy: 1.2510396896827305
Energy: 1.236808471131878
Energy: 1.1897472076012507
Energy: 1.2299443362521367
Energy: 1.1627729013646104
Energy: 1.1814332117167736
Energy: 1.1803233812432623
Energy: 1.2384814024404511
Energy: 1.1897472076008377
Energy: 1.229944336233143
Energy: 1.162772901366262
Energy: 1.1814332117155348
Energy: 1.1970179719982466
Energy: 1.1565159074794633
Energy: 1.1558425411597837
Energy: 1.155632820768656
Energy: 1.2004579227645098
Energy: 1.2324489091258526
Energy: 1.1970179719986591
Energy: 1.1565159073515368
Energy: 1.155842522036631
Energy: 1.15563282074512
Energy: 1.1786564565964
Energy: 1.2472981369001308
Energy: 1.1558608319783232
Energy: 1.2357824705458365
Energy: 1.18862005270702
Energy: 1.1782461144424534
Energy: 1.1786564566042455
Energy: 1.2472981368997176
Energy: 1.1558608319795622
Energy: 1.2357824705454237
Energy: 1.1893490928198784
Energy: 1.259463954333167
Energy: 1.1788146229294159
Energy: 1.1812476096881863
Energy: 1.243739315997084
Energy: 1.197036841510102
Energy: 1.1893490928062525
Energy: 1.259463954331966
Energy: 1.1788146229323062
Energy: 1.1812476097005737
Energy: 1.2224105219229053
Energy: 1.1877642868734775
Energy: 1.1938790707286333
Energy: 1.1557375292466636
Energy: 1.1871803434554344
Energy: 1.1812081170647706
Energy: 1.2224105219266215
Energy: 1.1877642869700604
Energy: 1.1938790707282203
Energy: 1.1557375292441863
Energy: 1.1794870577020884
Energy: 1.18836931084187
Energy: 1.1848183482037349
Energy: 1.3115744379485668
Energy: 1.2338261457631432
Energy: 1.2274917914292491
Energy: 1.1794870577181917
Energy: 1.1883693108340248
Energy: 1.1848183482053865
Energy: 1.3115743293962123
Energy: 1.2268926622100438
Energy: 1.1797479618157183
Energy: 1.242039564528036
Energy: 1.2387153346927162
Energy: 1.1876862578944478
Energy: 1.1919367894621256
Energy: 1.2268926622071534
Energy: 1.1797479618169568
Energy: 1.24203956452432
Energy: 1.238715334683632

minimum gb energy = 1.1299410389769755 eV
minimum distance =  2.31845063093659 Angstroms
sigma value = 185


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

Energy: 1.5252701324787818
Energy: 1.2693500157151856
Energy: 1.5114531475089812
Energy: 1.6012603109984254
Energy: 1.302477337120251
Energy: 1.2871869745139248
Energy: 1.5252701324773115
Energy: 1.2693500157107744
Energy: 1.5114531475080006
Energy: 1.4327092836813067
Energy: 1.3029667047474112
Energy: 1.3762117480075444
Energy: 1.2798843864385683
Energy: 1.293093745556868
Energy: 1.2660532309823318
Energy: 1.3361961163379628
Energy: 1.3029667096025879
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Energy: 1.279884386440529
Energy: 1.293093745558829
Energy: 1.2887716298788654
Energy: 1.2703807839084733
Energy: 1.4992665391787205
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Energy: 1.2899668547551473
Energy: 1.2887716298754344
Energy: 1.270380783910434
Energy: 1.4992665391841122
Energy: 1.3038735372862362
Energy: 1.48873550803497
Energy: 1.2693144542059673
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Energy: 1.2947784278547927
Energy: 1.27501794707934
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Energy: 1.2694402069557065
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Energy: 1.2893104144512668
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Energy: 1.2946799964473408
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Energy: 1.502024595257744
Energy: 1.267982769437242
Energy: 1.280849595369522
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Energy: 1.2808495953685417
Energy: 1.2848731313356083
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Energy: 1.2951544746726862
Energy: 1.2655650039336732
Energy: 1.269142937035868
Energy: 1.5483776155844657
Energy: 1.4848582753612416
Energy: 1.5220578639848061
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Energy: 1.2841097023987722
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Energy: 1.5220578639828457
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Energy: 1.321964673195536
Energy: 1.292956608867021
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Energy: 1.3321860237652114
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Energy: 1.292956608866041
Energy: 1.2800463784958909
Energy: 1.2656409370533355
Energy: 1.5006961720119312
Energy: 1.3831570583298722
Energy: 1.302525059446532
Energy: 1.28915918138035
Energy: 1.2731526269555982
Energy: 1.2657972521353438
Energy: 1.5114531475148627
Energy: 1.435075029454055
Energy: 1.302525059577311
Energy: 1.2885499247300531
Energy: 1.2731526382209526
Energy: 1.293093745558829
Energy: 1.2660532309828219
Energy: 1.33218602375933
Energy: 1.5112053932817262
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Energy: 1.2798843864424894
Energy: 1.2930937455593188
Energy: 1.2660532309823318
Energy: 1.3321860237637408
Energy: 1.511205393280256
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Energy: 1.2701804467812428
Energy: 1.3123387854612054
Energy: 1.2887716298773948
Energy: 1.2712841717017695
Energy: 1.522057863980395
Energy: 1.489982419189201
Energy: 1.2701804467841837
Energy: 1.312338785459735
Energy: 1.288771629873964
Energy: 1.2952510892500284
Energy: 1.275017947076399
Energy: 1.270590556325481
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Energy: 1.270677365809622
Energy: 1.2952510892451272
Energy: 1.2750179470768892
Energy: 1.2705905564264057
Energy: 1.4887355080217362
Energy: 1.324311948456649
Energy: 1.5169003345321064
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Energy: 1.2832972401643825
Energy: 1.2800286619535821
Energy: 1.2694402069537458
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Energy: 1.5169003345301457
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Energy: 1.2832972401658531
Energy: 1.2984177358558042
Energy: 1.2803796496394966
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Energy: 1.2935700544548034
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Energy: 1.2803796496390067
Energy: 1.3189807962456597
Energy: 1.2667671870550434
Energy: 1.265557247438238
Energy: 1.4143506164113278
Energy: 1.2890349425364411
Energy: 1.2983902019108022
Energy: 1.334151859152196
Energy: 1.2933902153043315
Energy: 1.307541449308782
Energy: 1.4143506164176995
Energy: 1.289034942535951
Energy: 1.2983902019088416
Energy: 1.2848731313370787
Energy: 1.2695868148464042
Energy: 1.5089735310506274
Energy: 1.5020245951421147
Energy: 1.2679922280544325
Energy: 1.2802725509395276
Energy: 1.2848731313356083
Energy: 1.2695868148497906
Energy: 1.508973531052098
Energy: 1.502024595108295
Energy: 1.5483776155834852
Energy: 1.2711289498237732
Energy: 1.2775083543677446
Energy: 1.2951544746736663
Energy: 1.2655650039371045
Energy: 1.2691429370388088
Energy: 1.5483776155829951
Energy: 1.2711289226343907
Energy: 1.277508354365784
Energy: 1.2951544746731762
Energy: 1.2891013707649273
Energy: 1.2841097023987722
Energy: 1.2696848242601098
Energy: 1.4848582753646726
Energy: 1.499266539183622
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Energy: 1.4848582753627122
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Energy: 1.3361961163423741
Energy: 1.2711175730023663
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Energy: 1.295668397735855
Energy: 1.3361961163399232
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Energy: 1.2925386511920223
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Energy: 1.511453147508491
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Energy: 1.5252701324768212
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Energy: 1.5114531475070205
Energy: 1.432709283689639
Energy: 1.3029667071897038
Energy: 1.3762117480075444
Energy: 1.2798843864395484
Energy: 1.2930937455573583
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Energy: 1.3361961163379628
Energy: 1.3029667047410392
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Energy: 1.2798843864415093
Energy: 1.2930937455612794
Energy: 1.2887716298769047
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Energy: 1.3038735372945687
Energy: 1.2701804467797724
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Energy: 1.270380783909944
Energy: 1.4992665391831321
Energy: 1.3038735372916277
Energy: 1.4887355080266376
Energy: 1.2693144542049868
Energy: 1.2713237205082495
Energy: 1.2947784278552827
Energy: 1.2750179470754188
Energy: 1.2705905563284217
Energy: 1.4887355080300684
Energy: 1.2693144542035166
Energy: 1.2713237205087398
Energy: 1.294778427855773
Energy: 1.2832972401648728
Energy: 1.2800286619521117
Energy: 1.2694402069527655
Energy: 1.3243119484576291
Energy: 1.5169003345335768
Energy: 1.2707419253387207
Energy: 1.2832972401643825
Energy: 1.2800286619535821
Energy: 1.2694402069552162
Energy: 1.3243119484576291
Energy: 1.293330086719504
Energy: 1.293570053112926
Energy: 1.2893104144493062
Energy: 1.2984177358528632
Energy: 1.3009916363657938
Energy: 1.3189807962378175
Energy: 1.2837525071995242
Energy: 1.2935700488907464
Energy: 1.2893104144497964
Energy: 1.2984177358538436
Energy: 1.2984979583787355
Energy: 1.35051019484344
Energy: 1.2946799964830766
Energy: 1.2802969115354648
Energy: 1.4143506164206405
Energy: 1.2890349425339906
Energy: 1.2984979583787355
Energy: 1.3505101948414795
Energy: 1.2946799965247389
Energy: 1.307541449312213
Energy: 1.5020245951773608
Energy: 1.267982769443614
Energy: 1.2808495953685417
Energy: 1.2848731313356083
Energy: 1.269586814849345
Energy: 1.5089735310486667
Energy: 1.5020245951842226
Energy: 1.267982769439693
Energy: 1.2808495953670713
Energy: 1.2848731313351183
Energy: 1.2951544746731762
Energy: 1.2655650039351438
Energy: 1.2691429370407694
Energy: 1.5483776155829951
Energy: 1.2711289137138353
Energy: 1.2775083543662742
Energy: 1.2951544746721961
Energy: 1.2655650039341635
Energy: 1.2691429370373384
Energy: 1.5483776155864262
Energy: 1.484858275362222
Energy: 1.522057863984316
Energy: 1.2666853690714575
Energy: 1.321964673195536
Energy: 1.2841097023982824
Energy: 1.2679311276938505
Energy: 1.484858275362222
Energy: 1.5220578639838258
Energy: 1.2666853690685165
Energy: 1.321964673199457
Energy: 1.2929566088655506
Energy: 1.2800463784968712
Energy: 1.2656409370464734
Energy: 1.5006961720187932
Energy: 1.332186023763251
Energy: 1.2659745586563433
Energy: 1.2929566088645705
Energy: 1.280046378496381
Energy: 1.2656409370499044
Energy: 1.5006961720138918

minimum gb energy = 1.265557247438238 eV
minimum distance =  2.29121109792529 Angstroms
sigma value = 33


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

Energy: 1.3597430759108187
Energy: 1.250571899266461
Energy: 1.2895957536012033
Energy: 1.632157359997166
Energy: 1.2481908248527718
Energy: 1.2505713938179384
Energy: 1.35974307591324
Energy: 1.2505718992191281
Energy: 1.289595752490953
Energy: 1.4472886848881392
Energy: 1.4766359219797973
Energy: 1.285767253384612
Energy: 1.2474768448879299
Energy: 1.2484730807454056
Energy: 1.2704212431789719
Energy: 1.2792210551735146
Energy: 1.4766359219832954
Energy: 1.2857672529927415
Energy: 1.2474768448890061
Energy: 1.2484730807395106
Energy: 1.278649204011213
Energy: 1.2510016645395978
Energy: 1.2831146025849685
Energy: 1.4935894192307329
Energy: 1.2479412529477691
Energy: 1.2457636063461108
Energy: 1.2786492040015265
Energy: 1.2510016645387907
Energy: 1.2823892430940038
Energy: 1.493589419227773
Energy: 1.2719993712771205
Energy: 1.2503959189899545
Energy: 1.271449374975217
Energy: 1.2762882937769144
Energy: 1.2798029515122173
Energy: 1.4869686820142491
Energy: 1.2719993711929491
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Energy: 1.2762882910529263
Energy: 1.2745238139682995
Energy: 1.2509014631508064
Energy: 1.3334929168592562
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Energy: 1.4807363322009737
Energy: 1.4140953038906616
Energy: 1.2507328451961504
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Energy: 1.3970096828147822
Energy: 1.4131872318380212
Energy: 1.25059658873022
Energy: 1.2882519415986928
Energy: 1.2856334994882113
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Energy: 1.253884272313938
Energy: 1.2572606432665787
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Energy: 1.27558745211541
Energy: 1.2538842723163597
Energy: 1.248185099991629
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Energy: 1.414464516403494
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Energy: 1.248185099994858
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Energy: 1.251383221970962
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Energy: 1.2475723972749684
Energy: 1.2726630464433355
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Energy: 1.2576888351950883
Energy: 1.2486155048867136
Energy: 1.2479324719554807
Energy: 1.2475723967792842
Energy: 1.2726630348874162
Energy: 1.2487064364803535
Energy: 1.3830436185555868
Energy: 1.2920639967487904
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Energy: 1.3475309235932393
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Energy: 1.2487064364803535
Energy: 1.383043618571462
Energy: 1.2920639520694301
Energy: 1.2476531128168946
Energy: 1.2483921960326798
Energy: 1.2482311984266408
Energy: 1.2482943536429565
Energy: 1.2651523150148938
Energy: 1.2528369867484201
Energy: 1.2687408698228966
Energy: 1.2483921959570947
Energy: 1.24823119842099
Energy: 1.2482943537209639
Energy: 1.265152315016239
Energy: 1.2801234273661213
Energy: 1.4466907029359568
Energy: 1.2482949228914708
Energy: 1.2442076034879954
Energy: 1.2620082543433553
Energy: 1.2500083438391312
Energy: 1.2801234273653137
Energy: 1.4466907029410694
Energy: 1.248294922892816
Energy: 1.2442076034936214
Energy: 1.284511771889809
Energy: 1.3095959683250988
Energy: 1.246572588784585
Energy: 1.3166134759150447
Energy: 1.4127101140136238
Energy: 1.2506040521052102
Energy: 1.2845117718935761
Energy: 1.3095959681967992
Energy: 1.2465725887681718
Energy: 1.316613477840224
Energy: 1.2472776821517224
Energy: 1.4461242500793976
Energy: 1.2915582490909108
Energy: 1.2757359109061996
Energy: 1.294173133264553
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Energy: 1.2476220384301906
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Energy: 1.248224541447628
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Energy: 1.3816999935129066
Energy: 1.2482245414443993
Energy: 1.2607405139573788
Energy: 1.2792922257537698
Energy: 1.2649303284836848
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Energy: 1.391086906469115
Energy: 1.2407208950845663
Energy: 1.2438805149054855
Energy: 1.2808441334635474
Energy: 1.2505863509008615
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Energy: 1.2407208950856425
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Energy: 1.5058912646364533
Energy: 1.2508864729712517
Energy: 1.2753295193328598
Energy: 1.272401116852533
Energy: 1.276158277605026

minimum gb energy = 1.2382246289635417 eV
minimum distance =  2.3339277690885 Angstroms
sigma value = 219


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

Energy: 1.189164517758665
Energy: 1.1235231200760198
Energy: 1.1244570746098335
Energy: 1.6134358095277477
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Energy: 1.149797890337172
Energy: 1.1237001936731736
Energy: 1.1237323338783403
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Energy: 1.1419234443370812
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Energy: 1.1237001936642697
Energy: 1.1237323338765595
Energy: 1.12604695737455
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Energy: 1.1241840367394833
Energy: 1.1260469573709884
Energy: 1.1236187750355655
Energy: 1.1248692127468658
Energy: 1.1791479767363586

minimum gb energy = 1.1234490254699683 eV
minimum distance =  2.34081343411694 Angstroms
sigma value = 15


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

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Energy: 1.3524016741128904
Energy: 1.4043113164581094
Energy: 1.6003323810345937
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Energy: 1.4046112399707562
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minimum gb energy = 1.3426854083071045 eV
minimum distance =  2.32494553947194 Angstroms
sigma value = 293


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

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Energy: 1.4554307621156752
Energy: 1.393145477974571
Energy: 1.3525596598771572
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Energy: 1.4157834705402037
Energy: 1.442683452072144
Energy: 1.4798336088687007
Energy: 1.4395777451990617
Energy: 1.3809693942307066
Energy: 1.6265173504656698
Energy: 1.4157834704722625
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Energy: 1.479833612250816
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Energy: 1.4553734680091708
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Energy: 1.4416159159549
Energy: 1.3530726846559598
Energy: 1.4156449448178932
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Energy: 1.426892198165077
Energy: 1.3479317905262032
Energy: 1.5248344205257067
Energy: 1.377739013373145
Energy: 1.3670449313186717
Energy: 1.4722616771069328
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Energy: 1.3479317905262032
Energy: 1.3735709380339054
Energy: 1.3406375162413056
Energy: 1.4446919748130043
Energy: 1.3526455393116208
Energy: 1.4350708625723039
Energy: 1.3401936962809875
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Energy: 1.340637516240903
Energy: 1.4446919748146132
Energy: 1.3526455393112187
Energy: 1.446318675640187
Energy: 1.3712694081359085
Energy: 1.3459517245334307
Energy: 1.4285641829270885
Energy: 1.3625222274302788
Energy: 1.3974235611083194
Energy: 1.4463186756389803
Energy: 1.3712694073848593
Energy: 1.345951724533833
Energy: 1.4285641829286975
Energy: 1.4176568810728845
Energy: 1.4096265891030506
Energy: 1.4079334471311638
Energy: 1.4191346553352215
Energy: 1.3627251815386856
Energy: 1.3762914969830489
Energy: 1.41765688107208
Energy: 1.409626589103453
Energy: 1.4079334471311638
Energy: 1.4191346553416573
Energy: 1.4336815377765673
Energy: 1.346545575041601
Energy: 1.3662238241896472
Energy: 1.4451837772146268
Energy: 1.3974619475500512
Energy: 1.36175798196277
Energy: 1.4336815377749579
Energy: 1.3465455750383832
Energy: 1.3662238241763736
Energy: 1.445183777213822
Energy: 1.3591780975508987
Energy: 1.4434234806681714
Energy: 1.3391777705104915
Energy: 1.3709984203980101
Energy: 1.3399147020351885
Energy: 1.435589006620588
Energy: 1.3591780975460717
Energy: 1.4434234806673671
Energy: 1.3391777705108936
Energy: 1.3709984203964012
Energy: 1.3479734874506561
Energy: 1.4270221162148864
Energy: 1.4722616771053239
Energy: 1.3668153939497945
Energy: 1.379214422786803
Energy: 1.5248344205240978
Energy: 1.3479734874502538
Energy: 1.427022116212875
Energy: 1.4722616771057258
Energy: 1.3668153939501968
Energy: 1.4721788985159014
Energy: 1.3954976242143096
Energy: 1.3499900509505598
Energy: 1.4556356764270755
Energy: 1.422834110728027
Energy: 1.3534196942111647
Energy: 1.472178920043276
Energy: 1.3954976242151138
Energy: 1.3499900509485487
Energy: 1.4556356764190308

minimum gb energy = 1.3391777705072736 eV
minimum distance =  2.3075866338582 Angstroms
sigma value = 293


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

Energy: 1.15871699840555
Energy: 1.1623758260135217
Energy: 1.1626413647575464
Energy: 1.699132443764829
Energy: 1.1626080402822239
Energy: 1.2034434702695636
Energy: 1.15871699840555
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Energy: 1.2156508025927975
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Energy: 1.15729370620984
Energy: 1.621836787758061
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Energy: 1.1619340047481486
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Energy: 1.2163269414202482
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Energy: 1.6180434120777112
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Energy: 1.1649420033729458
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Energy: 1.15729370620984
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Energy: 1.158309763011921
Energy: 1.6180434120769842
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Energy: 1.569824708854873
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Energy: 1.5852268078596878
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Energy: 1.1628617801140377
Energy: 1.621836787758061
Energy: 1.1582930545049326
Energy: 1.1619340047466946
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Energy: 1.2163269414209754
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Energy: 1.1619340047452407
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Energy: 1.618043412078438
Energy: 1.157202513561946
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Energy: 1.1623823534301239
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Energy: 1.158309763013375
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Energy: 1.162731799767346
Energy: 1.569824708856327
Energy: 1.4705218110482101
Energy: 1.1629058247146264
Energy: 1.7565403562126738
Energy: 1.1612132417257712
Energy: 1.1627317997702542
Energy: 1.569824708857054
Energy: 1.470521811047483
Energy: 1.15871699840555
Energy: 1.1623758260098869
Energy: 1.1626413647590002
Energy: 1.44180919270969
Energy: 1.16260804028077
Energy: 1.2167014847942372
Energy: 1.1587169984062773
Energy: 1.1623758260113406
Energy: 1.1626413647582732
Energy: 1.586775028626499
Energy: 1.1649420033722186
Energy: 1.4446963541987632
Energy: 1.1628800848612806
Energy: 1.2156508025920705
Energy: 1.570212569318088
Energy: 1.1628617801147647
Energy: 1.1649420033729458
Energy: 1.5852268078582337
Energy: 1.1628800848598264
Energy: 1.2156508025993402
Energy: 1.2163269414202482
Energy: 1.15729370620984
Energy: 1.6218367877587883
Energy: 1.1582930545042054
Energy: 1.1619340047466946
Energy: 1.162393661641642
Energy: 1.2163269414209754
Energy: 1.157293706210567
Energy: 1.6218367877587883
Energy: 1.1582930545049326
Energy: 1.618043412076257
Energy: 1.1572025135626727
Energy: 1.216205546526867
Energy: 1.1623823534301239
Energy: 1.1616459078060017
Energy: 1.158309763012648
Energy: 1.6180434120769842
Energy: 1.157202513561946
Energy: 1.21620554652614
Energy: 1.1623823534301239
Energy: 1.1629058247146264
Energy: 1.7565403561886828
Energy: 1.1612132417279524
Energy: 1.1627317997709812
Energy: 1.569824708857054
Energy: 1.470521811046756
Energy: 1.1629058247153534
Energy: 1.7565403562417206
Energy: 1.1612132417257712
Energy: 1.1627317997709812
Energy: 1.1626080402822239
Energy: 1.2167014847935105
Energy: 1.15871699840555
Energy: 1.1623758260084327
Energy: 1.1626413647582732
Energy: 1.4418091929945418
Energy: 1.16260804028077
Energy: 1.2167014847942372
Energy: 1.15871699840555
Energy: 1.1623758260120676
Energy: 1.5702125693166338
Energy: 1.162861780115492
Energy: 1.1649420033714917
Energy: 1.4446963542002174
Energy: 1.1628800848620076
Energy: 1.2156508026000674
Energy: 1.5702125693159068
Energy: 1.1628617801140377
Energy: 1.1649420033736726
Energy: 1.585226807863323

minimum gb energy = 1.157202513561946 eV
minimum distance =  2.3131079759998 Angstroms
sigma value = 15


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

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Energy: 1.3066053085806912
Energy: 1.3799560616552626
Energy: 1.772004544807707
Energy: 1.379869990344154
Energy: 1.4260757747447996
Energy: 1.4765538437841907
Energy: 1.3066053085797027
Energy: 1.379956061656581
Energy: 1.448105010803811
Energy: 1.3757877730582975
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Energy: 1.3779896653271393
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Energy: 1.3395005912841553
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Energy: 1.350336551361703
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Energy: 1.3656855526470988
Energy: 1.3691345629566152
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Energy: 1.4053553438263935
Energy: 1.539152031812046
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Energy: 1.3835796521583275
Energy: 1.4152865438286157
Energy: 1.3051061787828973
Energy: 1.4478570910666195
Energy: 1.380252396381582
Energy: 1.3729740002447732
Energy: 1.3842135331254226
Energy: 1.3553620263042088
Energy: 1.3051061787825675
Energy: 1.4478570910672788
Energy: 1.3802523963822413
Energy: 1.3729740002441144
Energy: 1.3076234816197638
Energy: 1.3772219467343527
Energy: 1.5165365017583268
Energy: 1.3712634333687104
Energy: 1.3396471189806676
Energy: 1.544046662831137
Energy: 1.3076234816197638
Energy: 1.3772219467343527
Energy: 1.5165365017589862
Energy: 1.3712634333693692
Energy: 1.3944278256478433
Energy: 1.3812251033812333
Energy: 1.3464590697723646
Energy: 1.3149868343027562
Energy: 1.3795442871287185
Energy: 1.3544956676518294
Energy: 1.3944278256475138
Energy: 1.3812251033815628
Energy: 1.3464590697730239
Energy: 1.3149868343024267
Energy: 1.3262578492046564
Energy: 1.4144492422071766
Energy: 1.3834589446315315
Energy: 1.3781258689054894
Energy: 1.422302150912189
Energy: 1.3770983476062708
Energy: 1.326257849204986
Energy: 1.4144492422075061
Energy: 1.383458944631861
Energy: 1.3781258689051599
Energy: 1.3249954631036447
Energy: 1.4273347525523141
Energy: 1.4148019128731804
Energy: 1.3797472004138147
Energy: 1.344355706544656
Energy: 1.3619226938967295
Energy: 1.3249954631062812
Energy: 1.4273347525556097
Energy: 1.4148019128735096
Energy: 1.3797472004151328
Energy: 1.4470608482251783
Energy: 1.3080349521121812
Energy: 1.3827312392132858
Energy: 1.314238444841127
Energy: 1.3480676191847074
Energy: 1.3776631270211628
Energy: 1.4470608482251783
Energy: 1.3080349521148178
Energy: 1.3827312392050473
Energy: 1.314238444841127
Energy: 1.4498828635794374
Energy: 1.3859770676166494
Energy: 1.3396369194685747
Energy: 1.3722469374173236
Energy: 1.3861050433901978
Energy: 1.3812773643622402
Energy: 1.4498828635807555
Energy: 1.3859770678050607
Energy: 1.3396369194649498
Energy: 1.372246937416335
Energy: 1.3430075653713098
Energy: 1.3578251401485484
Energy: 1.3869920114031842
Energy: 1.3888917198645232
Energy: 1.3777928449691907
Energy: 1.4485405018877704
Energy: 1.3430075653729576
Energy: 1.3578251401492074
Energy: 1.3869920114008771
Energy: 1.3888917198645232
Energy: 1.3703667941647395
Energy: 1.4703477191406193
Energy: 1.382385910634367
Energy: 1.366792944710833
Energy: 1.381132734358325
Energy: 1.3403257706651697
Energy: 1.3703667941766033
Energy: 1.4703477191409489
Energy: 1.3823859106350262
Energy: 1.3667929446778782
Energy: 1.3561470079460556
Energy: 1.3677712923320198
Energy: 1.3658922801945677
Energy: 1.327015515221268
Energy: 1.3500304789558553
Energy: 1.390425183563188
Energy: 1.356147007948003
Energy: 1.3677712923307017
Energy: 1.3658922801942381
Energy: 1.3270155152219267
Energy: 1.3405737814256677
Energy: 1.352192201975013
Energy: 1.4508181818697783
Energy: 1.3772013545447659
Energy: 1.3891109011447826
Energy: 1.383545417967939
Energy: 1.3405737814253382
Energy: 1.3521922019740245
Energy: 1.450818181870767
Energy: 1.3772013545447659
Energy: 1.3622112498824874
Energy: 1.3150013671542493
Energy: 1.3595547992398622
Energy: 1.3847261736147078
Energy: 1.388458187030267
Energy: 1.3506180842321787
Energy: 1.362211249879851
Energy: 1.315001367155238
Energy: 1.3595547768843683
Energy: 1.384726173617674
Energy: 1.3810419804800944
Energy: 1.32881449483793
Energy: 1.3124405755618873
Energy: 1.327094117982641
Energy: 1.3272485584450644
Energy: 1.3836906453347524
Energy: 1.381041980479765
Energy: 1.3288144956937054
Energy: 1.3124405755615578
Energy: 1.3270941179806937
Energy: 1.377761064697674
Energy: 1.4494190908269347
Energy: 1.3527388510082312
Energy: 1.3409513579990922
Energy: 1.3755902582997799
Energy: 1.466725778674257
Energy: 1.3777610646986327
Energy: 1.4494190908285822
Energy: 1.35273885100889
Energy: 1.3409513579997512
Energy: 1.3837278071509878
Energy: 1.370700003358015
Energy: 1.3511267158159987
Energy: 1.4270804875194896
Energy: 1.3840663336390542
Energy: 1.3513846841768602
Energy: 1.3837278071516466
Energy: 1.3707000033590035
Energy: 1.3511267158647418
Energy: 1.427080487517842
Energy: 1.4407497540831649
Energy: 1.381630149695276
Energy: 1.388431141536585
Energy: 1.3712311989240353
Energy: 1.49391043286075
Energy: 1.3811602006648174
Energy: 1.4407497541401464
Energy: 1.381630149695276
Energy: 1.3884311415237327
Energy: 1.37123119892799
Energy: 1.391855594214399
Energy: 1.3626132458056475
Energy: 1.3644973984504984
Energy: 1.3450702294740497
Energy: 1.4555726152290953
Energy: 1.343487558601681
Energy: 1.391855594214399
Energy: 1.362613245804329
Energy: 1.3644973984521467
Energy: 1.34507022947372
Energy: 1.3138685409535107
Energy: 1.3383486145002745
Energy: 1.379344924646074
Energy: 1.3455724236292228
Energy: 1.3642048387872192
Energy: 1.4787631720887582
Energy: 1.313868540953181
Energy: 1.3383486144982972
Energy: 1.3793449246045513
Energy: 1.3455724236901594
Energy: 1.3154503975861473
Energy: 1.3420845406636102
Energy: 1.3468502388284322
Energy: 1.3161370696350052
Energy: 1.3780212192220125
Energy: 1.372950492368162
Energy: 1.3154503975877951
Energy: 1.3420845406616626
Energy: 1.3468502388284322
Energy: 1.316137069538148
Energy: 1.4006971185574983
Energy: 1.3781129882659233
Energy: 1.428378735484789
Energy: 1.3226463985587045
Energy: 1.3524857775425188
Energy: 1.3171954695889971
Energy: 1.4006971185574983
Energy: 1.378112988262628
Energy: 1.4283787354828117
Energy: 1.3226463985567274

minimum gb energy = 1.3051061787825675 eV
minimum distance =  2.32437348119868 Angstroms
sigma value = 437


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

Energy: 1.3685497186841638
Energy: 1.3458408452124917
Energy: 1.3354619916090589
Energy: 1.7880498410718904
Energy: 1.3343197595993177
Energy: 1.3510588899112186
Energy: 1.3685497186949689
Energy: 1.3458408455245383
Energy: 1.3354619916138615
Energy: 1.5299404613520382
Energy: 1.2895639505278866
Energy: 1.3715388323793511
Energy: 1.3300437375615923
Energy: 1.2805199701960523
Energy: 1.346012843384323
Energy: 1.30070682868116
Energy: 1.2895639505278866
Energy: 1.371538832358941
Energy: 1.3300437375651941
Energy: 1.2805199701984538
Energy: 1.2904520080087791
Energy: 1.32212688133746
Energy: 1.3033767662041633
Energy: 1.3223637296815074
Energy: 1.329967037954125
Energy: 1.3168012775536067
Energy: 1.2904520080736115
Energy: 1.322126881333858
Energy: 1.3033777526879209
Energy: 1.3223637296803066
Energy: 1.3038930602709125
Energy: 1.3172503662109296
Energy: 1.3296459201356197
Energy: 1.302638456217653
Energy: 1.3171274430470719
Energy: 1.3017360168500247
Energy: 1.3038930602673104
Energy: 1.3172503662085282
Energy: 1.3296459201356197
Energy: 1.3026384562140512
Energy: 1.276902890105288
Energy: 1.296882276612597
Energy: 1.335082510840996
Energy: 1.3054888042079487
Energy: 1.291454859827287
Energy: 1.3338967874224006
Energy: 1.2769028900992847
Energy: 1.4979957242266944
Energy: 1.335082510840996
Energy: 1.305488804209149
Energy: 1.2779990234118046
Energy: 1.31078151702666
Energy: 1.2715312909869678
Energy: 1.3722724741207406
Energy: 1.310206045066506
Energy: 1.3006816213381565
Energy: 1.2779990234034004
Energy: 1.3107815166558383
Energy: 1.2715312909881684
Energy: 1.3722724741159382
Energy: 1.30565090199473
Energy: 1.3222216899909276
Energy: 1.366767824876739
Energy: 1.3067013080655376
Energy: 1.3351989604632495
Energy: 1.322235510029223
Energy: 1.3056509019875264
Energy: 1.3222216899885264
Energy: 1.3667678248755384
Energy: 1.3067013080667387
Energy: 1.2910202089390583
Energy: 1.3074556088030456
Energy: 1.329377506865158
Energy: 1.3029185760778468
Energy: 1.3024571866536885
Energy: 1.3169788309029753
Energy: 1.2910202089390583
Energy: 1.307455608801845
Energy: 1.3293775068723617
Energy: 1.3029185760766464
Energy: 1.2831331503178665
Energy: 1.3035902777110178
Energy: 1.4341077244078437
Energy: 1.280326192263305
Energy: 1.3342376576160797
Energy: 1.3450405765296387
Energy: 1.2831331503190668
Energy: 1.3035902777086164
Energy: 1.4341077244102447
Energy: 1.280326192259703
Energy: 1.3301508012674172
Energy: 1.3460832146516102
Energy: 1.2822079153044557
Energy: 1.2792985076773886
Energy: 1.330436248449135
Energy: 1.4815548791256297
Energy: 1.330150801280624
Energy: 1.3460832146540112
Energy: 1.2822079153044557
Energy: 1.2792985076761878
Energy: 1.3851177763104767
Energy: 1.305104708265973
Energy: 1.3352959461904164
Energy: 1.280571664197752
Energy: 1.3324340310155882
Energy: 1.3220995528714405
Energy: 1.385117776303273
Energy: 1.3051047082647724
Energy: 1.3352959461904164
Energy: 1.2805716641989524
Energy: 1.3419556532271044
Energy: 1.307506247578785
Energy: 1.4980817850957804
Energy: 1.3173724609968824
Energy: 1.497847808470862
Energy: 1.3072050424611612
Energy: 1.3419556532235026
Energy: 1.3075062475811863
Energy: 1.4980817851029842
Energy: 1.317372460998083
Energy: 1.384775523361076
Energy: 1.3222941454072286
Energy: 1.3324340310023817
Energy: 1.2802549798762555
Energy: 1.3351567879467166
Energy: 1.3052946532584202
Energy: 1.3847755235866799
Energy: 1.3222941454072286
Energy: 1.3324340310323968
Energy: 1.280254979875055
Energy: 1.3165063747409909
Energy: 1.4814071580377919
Energy: 1.3301494514637968
Energy: 1.2803252830614522
Energy: 1.3096298177531347
Energy: 1.3455844790678413
Energy: 1.316506374737389
Energy: 1.4814071579549504
Energy: 1.3301494514649976
Energy: 1.2803252830566498

minimum gb energy = 1.2715312909869678 eV
minimum distance =  2.32252933597711 Angstroms
sigma value = 33