Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_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=2.855324625968933
cohesive_energy=4.122759316666129
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19]
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: 0.014416825937174846
Energy: 0.10479278054365841
Energy: 0.09145300890440626
Energy: 0.09258097622773288
Energy: 0.10752068750573456
Energy: 0.09034320074911184
Energy: 0.10582425270158265
Energy: 0.09161936741619987
Energy: 0.09341114253284441
Energy: 0.01718930142431754
Energy: 0.09069621866283362
Energy: 0.09052038245836289
Energy: 0.10441526930472912
Energy: 0.015328783283000086
Energy: 0.01565284157547798
Energy: 0.09454612875182615
Energy: 0.09066894962682155
Energy: 0.10417682232201092
Energy: 0.09054323835532616
Energy: 0.10594138829958728
Energy: 0.09124237975856117
Energy: 0.09049034435584717
Energy: 0.10441902573115633
Energy: 0.01796058526278286
Energy: 0.09267760051691688
Energy: 0.09167148138242485
Energy: 0.016837106433399147
Energy: 0.014941178634328017
Energy: 0.10413492210204325
Energy: 0.09201495106807707
Energy: 0.016085568325424564
Energy: 0.10560257044439457
Energy: 0.09051552483069397
Energy: 0.09092487450496271
Energy: 0.09049791717136416
Energy: 0.09047939230282782
Energy: 0.015328355878156676
Energy: 0.015241108502182923
Energy: 0.09082069736141611
Energy: 0.014656224101708613
Energy: 0.01656038589876289
Energy: 0.09371591550764645
Energy: 0.09126001831325432
Energy: 0.01572136599909395
Energy: 0.014650951170412133
Energy: 0.09056672871002719
Energy: 0.09233366542311906
Energy: 0.09169711834518571
Energy: 0.090468802670171
Energy: 0.014477267429756937
Energy: 0.09078291579045024
Energy: 0.09319185166784894
Energy: 0.10636812907319947
Energy: 0.015247835252257591
Energy: 0.014704485429619557
Energy: 0.09113883125454264
Energy: 0.015096407482282675
Energy: 0.016169400989156903
Energy: 0.10481186349924246
Energy: 0.0905548935715949
Energy: 0.014648105939352833
Energy: 0.10453835599769297
Energy: 0.09040278227969932
Energy: 0.1043555609793185
Energy: 0.09123387944602034
Energy: 0.09053122317685265
Energy: 0.014988038086838077
Energy: 0.016553950828050442
Energy: 0.10421232776624406
Energy: 0.09172820018703963

minimum gb energy = 0.014416825937174846 eV
minimum distance =  2.47070552676488 Angstroms
sigma value = 3


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

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Energy: 1.3309108632733793
Energy: 1.3457189129648297
Energy: 1.3637678651539629
Energy: 1.3386252366204694
Energy: 1.3219262646119125
Energy: 1.3319594983316962
Energy: 1.3924608656268584
Energy: 1.3566257734027884
Energy: 1.2893690304876395
Energy: 1.4008576784417952
Energy: 1.333775032636926
Energy: 1.3415627068981035
Energy: 1.2968712231517932
Energy: 1.3794489735177433
Energy: 1.3075242011684012
Energy: 1.3514465615718283
Energy: 1.3586895755972888
Energy: 1.3130506919438532
Energy: 1.3304379344326673
Energy: 1.2957081033231144
Energy: 1.2706938105309822
Energy: 1.3359133675385322
Energy: 1.3100695528878197
Energy: 1.3648938612698833
Energy: 1.3329773875508024
Energy: 1.304563617014296
Energy: 1.2553338398899268
Energy: 1.3316518915552626
Energy: 1.326866418116945
Energy: 1.477528913797387
Energy: 1.263036362774616
Energy: 1.3352507116792829
Energy: 1.286776235241043
Energy: 1.282285978909933
Energy: 1.345801544081181
Energy: 1.3579612277702484
Energy: 1.440776098216376
Energy: 1.2875280075181443
Energy: 1.2903455234332162
Energy: 1.4933599782140858
Energy: 1.2888506598320133
Energy: 1.5145469381209362
Energy: 1.4882093086858414
Energy: 1.2694707355761679
Energy: 1.3406016458162175
Energy: 1.3582429304816368
Energy: 1.2942738051403555
Energy: 1.294085759568373
Energy: 1.2667996085411521
Energy: 1.3352666702528049
Energy: 1.2835064868958268
Energy: 1.269339528196137
Energy: 1.2685405126001237
Energy: 1.507414520821383
Energy: 1.3637467482909227
Energy: 1.4353447815268268
Energy: 1.2570049165460095
Energy: 1.2965696623879874
Energy: 1.2818764709707728
Energy: 1.3369329216063053
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Energy: 1.2757435480268822
Energy: 1.293154172386762
Energy: 1.322870205892094
Energy: 1.2594065717265635
Energy: 1.4246719757536657
Energy: 1.3192665275786677
Energy: 1.334495966262978
Energy: 1.3428206276830832
Energy: 1.3754007084635749
Energy: 1.27157238896412
Energy: 1.2709254736909639
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Energy: 1.4404543457877284
Energy: 1.252161568502755
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Energy: 1.3587651106903005
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Energy: 1.3164735361459807
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Energy: 1.3659463943992665
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Energy: 1.2938439375052695
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Energy: 1.3183677525596345
Energy: 1.304617815298386
Energy: 1.3688880000297043
Energy: 1.3559187444409704
Energy: 1.513624816281722
Energy: 1.256184902717635
Energy: 1.3554727539037545
Energy: 1.378125563033748
Energy: 1.29636455913036
Energy: 1.3140584331825558
Energy: 1.3129754901888824
Energy: 1.2997316269064048
Energy: 1.3204307698763376
Energy: 1.3416714862873862
Energy: 1.3683934485316043
Energy: 1.4393947353345236
Energy: 1.3009084058562497
Energy: 1.2595124045941768
Energy: 1.3023777693551868
Energy: 1.3200951520835718
Energy: 1.2795666249470103
Energy: 1.3023029592156283
Energy: 1.2571301319951087
Energy: 1.3502793887207607
Energy: 1.3713620580619565
Energy: 1.38202108155811
Energy: 1.3043624862789844
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Energy: 1.3600214962986792
Energy: 1.3552862736085367
Energy: 1.3490236526844779
Energy: 1.2564471064764227
Energy: 1.5109776618386535
Energy: 1.254403069748333
Energy: 1.312740791834314
Energy: 1.5824156099292825
Energy: 1.2995528340088625
Energy: 1.3173997037392555
Energy: 1.3060895303743147
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Energy: 1.3382335039697335
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Energy: 1.261962617243905
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Energy: 1.3792782930490162
Energy: 1.4918805274799698
Energy: 1.5581188186718602
Energy: 1.2656799284223283
Energy: 1.3498191749376711
Energy: 1.4310520084986296
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Energy: 1.2662316602293042
Energy: 1.3775388561666098
Energy: 1.27620104690555
Energy: 1.2637175137709586
Energy: 1.2552985283744915
Energy: 1.5001868273203263
Energy: 1.4301616989225665
Energy: 1.2534789020679893
Energy: 1.4466821959355045
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Energy: 1.3133002307661579
Energy: 1.3378865935265416
Energy: 1.2878391327231717
Energy: 1.2612307864799848
Energy: 1.2873856615114816
Energy: 1.274175383064003
Energy: 1.3033413063290453
Energy: 1.2608756716009737
Energy: 1.3589065260712012
Energy: 1.4352593214035825
Energy: 1.2571013736937555
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Energy: 1.2657936146613917
Energy: 1.2715920640110099
Energy: 1.2708898650128393
Energy: 1.3071895589499052
Energy: 1.2911490977804918
Energy: 1.2685940970280656
Energy: 1.3658445181686119
Energy: 1.3321019213181378
Energy: 1.2562865583761447
Energy: 1.3645924239785077
Energy: 1.3599637008445467
Energy: 1.2667218426673832
Energy: 1.291541242589348
Energy: 1.2483032049793992
Energy: 1.2920581219815703
Energy: 1.2681243412717393
Energy: 1.2591510865266342
Energy: 1.2570037310420472
Energy: 1.329784747139177
Energy: 1.3363018364538537
Energy: 1.4309020058144752
Energy: 1.2557838815993767
Energy: 1.2568257351534335
Energy: 1.310670561122414
Energy: 1.3324723459503183
Energy: 1.2632018090154968
Energy: 1.2917019283184046
Energy: 1.2897027152478413
Energy: 1.2824443625876245
Energy: 1.3035291971046978
Energy: 1.254129984377416
Energy: 1.4423242594228325
Energy: 1.3427927455364068
Energy: 1.496732264545708
Energy: 1.510686332678695
Energy: 1.3123294676625648
Energy: 1.2894025709390988
Energy: 1.3241932783316825
Energy: 1.2724670573468824
Energy: 1.292582055572202
Energy: 1.2823944728256402
Energy: 1.396575976700047
Energy: 1.3372292692016476
Energy: 1.2996073030713182
Energy: 1.3861573124987825
Energy: 1.469513643250656
Energy: 1.464613440625697
Energy: 1.50332322167387
Energy: 1.2468181708948038
Energy: 1.2958813699664813
Energy: 1.319201529367922
Energy: 1.349707080558957
Energy: 1.314232141941804
Energy: 1.2914090621339092
Energy: 1.4127401654526006
Energy: 1.3355054285789743
Energy: 1.2551605289877257
Energy: 1.3209194864613216
Energy: 1.426831624652584
Energy: 1.534187498932805
Energy: 1.464750124033148
Energy: 1.2554355508864252
Energy: 1.3355146398073996
Energy: 1.2870371030745587
Energy: 1.4288520012562227
Energy: 1.3322692852395142
Energy: 1.3143156554019941
Energy: 1.335551897788485
Energy: 1.3410254335355798
Energy: 1.3303375564232962
Energy: 1.3326474740279088
Energy: 1.4485232081164294
Energy: 1.2946126201322066
Energy: 1.2907271970804148

minimum gb energy = 1.2468181708948038 eV
minimum distance =  2.21647884774286 Angstroms
sigma value = 75


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

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Energy: 1.391050805078244
Energy: 1.3664933686885958
Energy: 1.4236025309922877
Energy: 1.3599544861941708
Energy: 1.406729090318371
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Energy: 1.3803988168286268
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Energy: 1.352650007537617
Energy: 1.3671571838223893
Energy: 1.466108606995114
Energy: 1.3920640283010288
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Energy: 1.3767797878388697
Energy: 1.3855286746766433
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Energy: 1.4414944196571446
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Energy: 1.4562953853029872
Energy: 1.4383106501241605
Energy: 1.3290915156250016
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Energy: 1.4693348008291618
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Energy: 1.358296578789276
Energy: 1.3411406884064538
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Energy: 1.338436333090865
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Energy: 1.342987300234825
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Energy: 1.369281636650961
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Energy: 1.4653321207873302
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Energy: 1.3644322039828989
Energy: 1.4676637922077782
Energy: 1.471998815996249
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Energy: 1.3514951981844543
Energy: 1.3877112477557607
Energy: 1.4362817602086757
Energy: 1.4081468529496235
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minimum gb energy = 1.3201990578993215 eV
minimum distance =  2.22163641937316 Angstroms
sigma value = 105


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

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Energy: 1.3685193075731175
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Energy: 1.3639928774815964
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Energy: 1.523987012593511
Energy: 1.3862282595358644
Energy: 1.3980366767800865
Energy: 1.3474593208824022
Energy: 1.352323729370875
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Energy: 1.3587206993259573
Energy: 1.4508722320602838
Energy: 1.4519319507402326
Energy: 1.404817495108256
Energy: 1.3630803520186452
Energy: 1.377843062344813
Energy: 1.480510894640968
Energy: 1.3539426262138032
Energy: 1.363746292611649
Energy: 1.4616473876956486
Energy: 1.4430130833643784
Energy: 1.4782962398862611
Energy: 1.3520675426962783
Energy: 1.3608413666070858
Energy: 1.3343330672050606
Energy: 1.346205650068984
Energy: 1.3615237615473252
Energy: 1.4312254674847527
Energy: 1.3694134981912205
Energy: 1.4390345244332627
Energy: 1.4600435440006831
Energy: 1.4547715676537265
Energy: 1.3371266717446189
Energy: 1.3757595263388516
Energy: 1.3344404605898796
Energy: 1.3346114624484176
Energy: 1.3634449944240523
Energy: 1.372202913596272
Energy: 1.3757673032740436
Energy: 1.3362648556923666
Energy: 1.3346562818786498
Energy: 1.4152894449260724
Energy: 1.3456357835210218
Energy: 1.359617653845813
Energy: 1.3406674489543535
Energy: 1.3551391819167578
Energy: 1.3285969657202588
Energy: 1.3570330747257977
Energy: 1.3756915751104963
Energy: 1.4223759308135684
Energy: 1.4181393718726987
Energy: 1.3945860587094436
Energy: 1.4122311245767714
Energy: 1.4678477918392117
Energy: 1.4919602274272885
Energy: 1.3427233523083049
Energy: 1.3408039675785055
Energy: 1.3283376841571455
Energy: 1.3856079729278434
Energy: 1.4544682042506383
Energy: 1.4005681819048843
Energy: 1.3531122888452403
Energy: 1.36407143818022
Energy: 1.5220697532426888
Energy: 1.450540092443158
Energy: 1.4361823333213775
Energy: 1.4128981870434396
Energy: 1.329326228878695
Energy: 1.4987384433183122
Energy: 1.4312034135906693
Energy: 1.3495480078267916
Energy: 1.3699008979965515
Energy: 1.3389922583328697
Energy: 1.4128245729534634
Energy: 1.4268998210236379
Energy: 1.4486336151382024
Energy: 1.5011728229856978
Energy: 1.354899868431907

minimum gb energy = 1.2857664156223032 eV
minimum distance =  2.23399895408902 Angstroms
sigma value = 165


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

Energy: 1.5223586972777226
Energy: 1.2924135973575483
Energy: 1.3206616735700454
Energy: 1.2944686744193705
Energy: 1.3112003490107331
Energy: 1.2787891706396612
Energy: 1.3149269866449103
Energy: 1.293953923659705
Energy: 1.2923133479021516
Energy: 1.243463667668082
Energy: 1.3407753201381643
Energy: 1.5178708282451616
Energy: 1.5138269985538002
Energy: 1.5845218025300984
Energy: 1.3158422981426927
Energy: 1.5177730031401828
Energy: 1.278296131378085
Energy: 1.285508190124048
Energy: 1.279466241092367
Energy: 1.3133150014516624
Energy: 1.3143796765474962
Energy: 1.2920871957621585
Energy: 1.3096346284617044
Energy: 1.3846557329161358
Energy: 1.5554236898359703
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Energy: 1.3038572087446212
Energy: 1.3660777835323143
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Energy: 1.5557492788503606
Energy: 1.3337362325055224
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Energy: 1.2863348947201616
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Energy: 1.30200408794488
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Energy: 1.534821131168777
Energy: 1.5882878284444109
Energy: 1.5875245595451895
Energy: 1.4928997982520396
Energy: 1.280462234072326
Energy: 1.5571884516637364
Energy: 1.5880265993734148
Energy: 1.29419963419433
Energy: 1.3274362911542184
Energy: 1.3260370488024888
Energy: 1.319212275905506
Energy: 1.2942709963763086
Energy: 1.2796482927790909
Energy: 1.2790826522665448
Energy: 1.58812447727018
Energy: 1.300748297333802
Energy: 1.2942234771664862
Energy: 1.593267873573856
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Energy: 1.3285290750306284
Energy: 1.3152468710854346
Energy: 1.2915155977951427
Energy: 1.3340558921837045
Energy: 1.3170668649729926
Energy: 1.2876456014282593
Energy: 1.3044195183760443
Energy: 1.2860404041233706
Energy: 1.3266612319261173
Energy: 1.3432148483833226
Energy: 1.2925215606095992
Energy: 1.36772768666136
Energy: 1.3376852349711987
Energy: 1.327350390419225
Energy: 1.2970054885754307
Energy: 1.2862631700800191
Energy: 1.2923661893351084
Energy: 1.2823948024784158
Energy: 1.3501900442289738
Energy: 1.3127752667335373
Energy: 1.3018607675071738
Energy: 1.3192462055001342
Energy: 1.3215454715122152
Energy: 1.274045392375293
Energy: 1.2769352851329971
Energy: 1.2905457463335597
Energy: 1.31182695486701
Energy: 1.3264687385389782
Energy: 1.3459038407115986
Energy: 1.2760641581877057
Energy: 1.3411389238593419
Energy: 1.3441377410715991
Energy: 1.5580226759323172
Energy: 1.2895651444733192
Energy: 1.278906781329853
Energy: 1.294163810359566
Energy: 1.3211030362462202
Energy: 1.3099250325643368
Energy: 1.2911013892880014
Energy: 1.303007395042502
Energy: 1.2807868506240871
Energy: 1.3460844818255835
Energy: 1.2829087182651464
Energy: 1.325406376011004
Energy: 1.29175444503391
Energy: 1.5158560127252665

minimum gb energy = 1.243463667668082 eV
minimum distance =  2.22130830488657 Angstroms
sigma value = 41


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

Energy: 2.8155480299586024
Energy: 1.3378718791960067
Energy: 1.4133075417013274
Energy: 1.3134554294232472
Energy: 1.2266188107555533
Energy: 1.2966399559746316
Energy: 1.321149119240507
Energy: 1.401056897340099
Energy: 1.4082605893037268
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Energy: 1.2606463346735775
Energy: 1.496027925503691
Energy: 1.2567594174708687
Energy: 1.3209149305549954
Energy: 1.173840909558691
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Energy: 1.2518821692056963
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Energy: 1.3121828888917275
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Energy: 1.3439459165192522
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Energy: 1.2579807806694616
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Energy: 1.1830169570320122
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Energy: 1.1686550894845853
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Energy: 1.3260577396873772
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Energy: 1.1431156940557141
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Energy: 1.374940984551907
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Energy: 1.2141685291730602
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Energy: 1.3008676063900118
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Energy: 1.4522656626459416
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Energy: 1.2413346596028119
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Energy: 1.3579643793768392
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Energy: 1.3568542783998172
Energy: 1.3236801074490983
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Energy: 1.2143656308555602
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Energy: 1.3273332205806296
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Energy: 1.314620762900225
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Energy: 1.3223771349664601
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Energy: 1.3093801050628793
Energy: 1.2283044956032663
Energy: 1.2446845333915728
Energy: 1.4392144718275743
Energy: 1.3670930837842101
Energy: 1.323274616031369
Energy: 1.250920538830208
Energy: 1.197981945937999
Energy: 1.2569017842465624
Energy: 1.4975130473876193
Energy: 1.3203395274711027
Energy: 1.2427656571624155
Energy: 1.4144677783098412
Energy: 1.3436059250076593
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Energy: 1.2433605729874253
Energy: 1.2125188035504566
Energy: 1.2942387447898487
Energy: 1.29455633999731
Energy: 1.360602791470909
Energy: 1.4209400080473302
Energy: 1.3306424071269058
Energy: 1.3240470745041288
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Energy: 1.3406395478931414
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Energy: 1.2228013895109835
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Energy: 1.3490232684372327
Energy: 1.318325444242889
Energy: 1.3468040898067308
Energy: 1.3367729994069075
Energy: 1.3162834018498737
Energy: 1.2727871833693338
Energy: 1.2658894411162613
Energy: 1.261549015011676
Energy: 1.1858547437104254
Energy: 1.1826184808537783
Energy: 1.3427024482994498
Energy: 1.226432220820924
Energy: 1.3024351827870444
Energy: 1.4006770935523691
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Energy: 1.215285321115102
Energy: 1.2137122165203473
Energy: 1.169555373159333
Energy: 1.172135790902722
Energy: 1.1576962701420677
Energy: 1.3254578115010829
Energy: 1.399038254630906
Energy: 1.216012153368853
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Energy: 1.3572999891134125
Energy: 1.356231180338236
Energy: 1.3626163128039854
Energy: 1.158331184032357
Energy: 1.1721124912198126
Energy: 1.319154658720348
Energy: 1.3686965419938244
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Energy: 1.267379833165688
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Energy: 1.3880700104772872
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Energy: 1.3673290240886038
Energy: 1.2146893027976207
Energy: 1.21538184640454
Energy: 1.1574297026270193
Energy: 1.310840403816659
Energy: 1.2814524641990586
Energy: 1.2515209426922829
Energy: 1.2467580486846734
Energy: 1.4257186614673134
Energy: 1.3951127393623102
Energy: 1.296896966454357
Energy: 1.3026582175416008
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Energy: 1.2255390099898225
Energy: 1.4195093770542473
Energy: 1.3213270121213363
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Energy: 1.2415197737336245
Energy: 1.369049244019984
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Energy: 1.3222391847070514
Energy: 1.1602337478835576
Energy: 1.215937019408276
Energy: 1.3652138317590687
Energy: 1.2933908748077811
Energy: 1.2459028219759518
Energy: 1.3159226057049125
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Energy: 1.2898944428429597
Energy: 1.227038682245925
Energy: 1.1703625118506198
Energy: 1.1591247022415303
Energy: 1.215642134222357
Energy: 1.3185859433479301
Energy: 1.2560134955073006
Energy: 1.2468521038240816
Energy: 1.2476830630745124
Energy: 1.3199564370972612
Energy: 1.3236137790610314
Energy: 1.416867516318809
Energy: 1.2910556561030675
Energy: 1.2289438068044591
Energy: 1.247420278592015
Energy: 1.2662367617412686
Energy: 1.2583946414179108
Energy: 1.2391272616941558
Energy: 1.2447398332582449
Energy: 1.2831728468138497
Energy: 1.3305895250190642
Energy: 1.4148753717301013
Energy: 1.3730716390629774
Energy: 1.3753009182774842
Energy: 1.2130329780604572
Energy: 1.2487030379466724
Energy: 1.2669067176971658
Energy: 1.2441329585051148
Energy: 1.294202644508417
Energy: 1.3272148966185755
Energy: 1.2504204907975784
Energy: 1.4183047597929213
Energy: 1.3570959395042614
Energy: 1.2882043820222844
Energy: 1.2141105250506201
Energy: 1.2353146645421011
Energy: 1.1970313225434517
Energy: 1.3532878468414893
Energy: 1.3290978548344663
Energy: 1.3183316092041841
Energy: 1.3585614570057827
Energy: 1.3310713888270358
Energy: 1.2882696516974967
Energy: 1.357057683564696
Energy: 1.4122985336789218
Energy: 1.349022542814195

minimum gb energy = 1.1431156940557141 eV
minimum distance =  2.20572127957314 Angstroms
sigma value = 185


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

Energy: 2.367709814131289
Energy: 1.1250690612410421
Energy: 1.275895618357141
Energy: 1.2764935659286158
Energy: 1.2786925199163355
Energy: 1.3272682938021045
Energy: 1.4107066366511423
Energy: 1.3287840538649978
Energy: 1.277687962216268
Energy: 1.1213837480624609
Energy: 1.2768943182442953
Energy: 1.4156144828935684
Energy: 1.2762098751502127
Energy: 1.1132190156341404
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Energy: 1.1509056230224175
Energy: 1.276384288923095
Energy: 1.2784107292565583
Energy: 1.2770848840812374
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Energy: 1.279036141100717
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Energy: 1.275935707567542
Energy: 1.4100077184611786
Energy: 1.4089182829475864
Energy: 1.3262100814483615
Energy: 1.2755361994873549
Energy: 1.3955494726997884
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Energy: 1.1246654116936272
Energy: 1.2780052291845305
Energy: 1.3227097889353152
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Energy: 1.1234110265438104
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Energy: 1.3971753566498701
Energy: 1.4166054332397788
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Energy: 1.3257683942319303
Energy: 1.4319217134590805
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Energy: 1.3028003638138546
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Energy: 1.3284667957697311
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Energy: 1.2754792989095294
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Energy: 1.3967705594804625
Energy: 1.133386334917842
Energy: 1.322267838841367
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Energy: 1.122822388008635
Energy: 1.1344610247152374
Energy: 1.3299526541513669
Energy: 1.275653674161119
Energy: 1.1331057928935002
Energy: 1.2754970170740905
Energy: 1.417903687490504
Energy: 1.2763331737955417
Energy: 1.3218311466433306
Energy: 1.2868184977457626
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Energy: 1.328063242206297
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Energy: 1.1508298041034255
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Energy: 1.2760862955021717
Energy: 1.2791015416827796
Energy: 1.3267009107032952
Energy: 1.1162066013506473
Energy: 1.3296104133506177
Energy: 1.4089795367666993
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Energy: 1.2793874351122736
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Energy: 1.1531200176486378
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Energy: 1.2786510002479095
Energy: 1.3286751797769436
Energy: 1.4094060025588084
Energy: 1.2763625642113485
Energy: 1.4303343735500293
Energy: 1.2796559096710924
Energy: 1.2766645475908767
Energy: 1.280887905010386
Energy: 1.276689017204055
Energy: 1.1294562640325694
Energy: 1.1227481678119293
Energy: 1.38061262726513
Energy: 1.2812600423286111
Energy: 1.2783110422303212
Energy: 1.1202362635427738
Energy: 1.3951141478267013
Energy: 1.408421363331951
Energy: 1.4170821653533796
Energy: 1.2776694639979143
Energy: 1.275249230844495
Energy: 1.3283056911188924
Energy: 1.4089609362821514
Energy: 1.2787045078195354
Energy: 1.411720065085658
Energy: 1.2770277647825465
Energy: 1.39092288186453
Energy: 1.2767553585405995
Energy: 1.2802857181271678
Energy: 1.1133015819167904
Energy: 1.2771241059435918
Energy: 1.415586063051864
Energy: 1.4077602366944229
Energy: 1.4098820897687228
Energy: 1.1228946624764384
Energy: 1.1356977518917866
Energy: 1.2757679362179022
Energy: 1.280515175811791
Energy: 1.275997482733349
Energy: 1.2768822818817709
Energy: 1.2759224618141616
Energy: 1.1231725100036345
Energy: 1.1259505813789576
Energy: 1.123306489729091
Energy: 1.1249530501058218
Energy: 1.150973472968124
Energy: 1.1517368698747008
Energy: 1.1522045634498541
Energy: 1.2809113745226417
Energy: 1.2754438155742576
Energy: 1.3279356247738427
Energy: 1.4310149210055598
Energy: 1.407954061493406
Energy: 1.2759701671721084
Energy: 1.2768312715509729
Energy: 1.276526614825344
Energy: 1.1511824300199343
Energy: 1.2725267381289376
Energy: 1.1521518993234074
Energy: 1.1201811326333957
Energy: 1.1191296133266018
Energy: 1.1178370201257852
Energy: 1.3220525501922833
Energy: 1.4305029690568527
Energy: 1.3926705247613418
Energy: 1.4161877208372822
Energy: 1.4185482199685249
Energy: 1.2757898422169358
Energy: 1.279279637596903
Energy: 1.279073869072165
Energy: 1.1172605156243953
Energy: 1.1173821129919026
Energy: 1.1224740980890882
Energy: 1.120004207097139

minimum gb energy = 1.1132190156341404 eV
minimum distance =  2.26708748445373 Angstroms
sigma value = 33


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

Energy: 1.6171895598044306
Energy: 1.3574796051319418
Energy: 1.4779263855052613
Energy: 1.2610205096173615
Energy: 1.3490197537173403
Energy: 1.5089697655294727
Energy: 1.4050587126267196
Energy: 1.4357902707394041
Energy: 1.358565464742901
Energy: 1.4578604256244179
Energy: 1.2390993309723024
Energy: 1.4228596020062814
Energy: 1.4690196866643366
Energy: 1.362566786981163
Energy: 1.3838430048809534
Energy: 1.467998896290736
Energy: 1.4212827464155389
Energy: 1.3527170737208614
Energy: 1.3556581425618899
Energy: 1.24004781241101
Energy: 1.2385438022441198
Energy: 1.3651673380548006
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Energy: 1.2580231291914008
Energy: 1.3566084184790348
Energy: 1.2461013907152472
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Energy: 1.2288821466495978
Energy: 1.2356454764968479
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Energy: 1.2790690259755004
Energy: 1.2683438943971783
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Energy: 1.3387097791027798
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Energy: 1.2395734969597048
Energy: 1.2203071951845548
Energy: 1.23910865558003
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Energy: 1.3806207804107913
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Energy: 1.4217026136121
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Energy: 1.4171262202743975
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Energy: 1.319896518680021
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Energy: 1.2594057048546532
Energy: 1.3395674059440308
Energy: 1.4686966542639714
Energy: 1.1956148868194303
Energy: 1.2322316581804587
Energy: 1.3886885042010666
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Energy: 1.307474654584371
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Energy: 1.340179277219731
Energy: 1.4357468853040998
Energy: 1.4361006125352076
Energy: 1.3958726736741411
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Energy: 1.4346259250605846
Energy: 1.401198573065204
Energy: 1.4046378024506643
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Energy: 1.4354102584928543
Energy: 1.4150371294194037
Energy: 1.4272654395156694
Energy: 1.3693401037818889
Energy: 1.2474838507705768
Energy: 1.2230399337255995
Energy: 1.417436738712082
Energy: 1.4505380612726058
Energy: 1.363598522386619
Energy: 1.3628541175351538
Energy: 1.452882450339183
Energy: 1.3780563146315816
Energy: 1.2460702846576996
Energy: 1.2583341355056121
Energy: 1.2542367198364597
Energy: 1.2222324458317941
Energy: 1.2215522961307976
Energy: 1.4185572270727673
Energy: 1.3569957489212123
Energy: 1.2270268034797773
Energy: 1.3830607787988112
Energy: 1.2599974330762829
Energy: 1.4301840431171586
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Energy: 1.3692541762940524
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Energy: 1.5075095335082853
Energy: 1.3462192244871263
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Energy: 1.3150352577605957
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Energy: 1.2084222080989906
Energy: 1.3175849389012562
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Energy: 1.3676877852874536
Energy: 1.232325893265342
Energy: 1.241156415619841
Energy: 1.2608710670949392
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Energy: 1.2461037866340408
Energy: 1.4643467137460486
Energy: 1.4838211240882537
Energy: 1.4123924886558237
Energy: 1.3692830200472585
Energy: 1.2381055311782605
Energy: 1.2312612700408954
Energy: 1.234404278047517
Energy: 1.234261912342938
Energy: 1.2357582320794949
Energy: 1.2452324140986515
Energy: 1.4391918010050504
Energy: 1.41316800717251
Energy: 1.4257581831220627
Energy: 1.3664209123843662
Energy: 1.2397945736295792
Energy: 1.2247020877539943
Energy: 1.2339259131500944
Energy: 1.2288971231397539
Energy: 1.2286751589485838
Energy: 1.3585826472890643
Energy: 1.2914824361645985
Energy: 1.2839969350320386
Energy: 1.37089044470645
Energy: 1.3853011244562765
Energy: 1.4190515754136415
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Energy: 1.3498637619204956
Energy: 1.349612393811042
Energy: 1.4049461549474416
Energy: 1.4370328110314683
Energy: 1.358391984403738
Energy: 1.4711933430034378

minimum gb energy = 1.1914555404870697 eV
minimum distance =  2.23854916343425 Angstroms
sigma value = 219


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

Energy: 2.104970217256119
Energy: 1.2264237691148816
Energy: 1.225889864776043
Energy: 1.252157854657171
Energy: 1.2439571772905038
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Energy: 1.2098338086595894
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Energy: 1.2149934096844892
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Energy: 1.204382513509402
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Energy: 1.2522256667910912
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Energy: 1.2257017109217903
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Energy: 1.2239367718513474
Energy: 1.2271919489945164
Energy: 1.2067854705150847
Energy: 1.1968977998079013
Energy: 1.2061420802859486
Energy: 1.2271194927568734
Energy: 1.2060182360473282
Energy: 1.2037538262782137
Energy: 1.2720569499855985
Energy: 1.171650572337849
Energy: 1.2267054138281086
Energy: 1.2259320595680778
Energy: 1.2048659669637516
Energy: 1.2085837799121544
Energy: 1.2023473872606494
Energy: 1.1894440134632729
Energy: 1.1885763621032395
Energy: 1.232312398128035
Energy: 1.2218072732576355

minimum gb energy = 1.1702388064531184 eV
minimum distance =  2.26658692128454 Angstroms
sigma value = 15


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

Energy: 1.8721630479217148
Energy: 1.4445640551119192
Energy: 1.380495357241285
Energy: 1.3910779208777309
Energy: 1.3701124963114755
Energy: 1.432818650948112
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Energy: 1.3722801378708878
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Energy: 1.379178013373935
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Energy: 1.388515209593307
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Energy: 1.3950195070850955
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Energy: 1.376457780568389
Energy: 1.3827496604746758
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Energy: 1.425331040136969
Energy: 1.3578286122514736
Energy: 1.421556535859226
Energy: 1.6097565279360138
Energy: 1.3557356431410634
Energy: 1.3725397253012992
Energy: 1.3560288345276528
Energy: 1.4203290554819565
Energy: 1.3912270199470016
Energy: 1.5407263815697727
Energy: 1.5380873683102774
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Energy: 1.3771722014948207
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Energy: 1.3919502338539524
Energy: 1.4101622147808983
Energy: 1.3572966724661064
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minimum gb energy = 1.3258799480053491 eV
minimum distance =  2.23858952369403 Angstroms
sigma value = 293


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

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Energy: 1.4648409383031695
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Energy: 1.4198263424442328
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Energy: 1.393308038392199
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Energy: 1.3723307062710381
Energy: 1.4738102500257888
Energy: 1.4537022112936926
Energy: 1.3805558036185994
Energy: 1.3765846539432116
Energy: 1.4640551645617845
Energy: 1.4711677086025865
Energy: 1.4182856514586
Energy: 1.3997341503293586
Energy: 1.3998123879757618
Energy: 1.3916772040617253
Energy: 1.4699927491830278
Energy: 1.4423862906275635
Energy: 1.457511551608591
Energy: 1.3863149114411903
Energy: 1.436763032579397
Energy: 1.5073688563023628
Energy: 1.435686157058622
Energy: 1.397960988159108
Energy: 1.3898705554771178
Energy: 1.3943083805354897
Energy: 1.425266340690911
Energy: 1.4485723545277314
Energy: 1.5919969233769065
Energy: 1.4456814267175406
Energy: 1.4597501133771635
Energy: 1.4553693434734971
Energy: 1.3541710122711799
Energy: 1.413218404022247
Energy: 1.4002858402326772
Energy: 1.3995847822407859
Energy: 1.466896774466544
Energy: 1.3476656776215055
Energy: 1.4765481727641858
Energy: 1.4092723934742557
Energy: 1.446037278059185
Energy: 1.482210699985197
Energy: 1.4700236066399108
Energy: 1.4134222342297835
Energy: 1.5398761169812394
Energy: 1.3812332746810407
Energy: 1.3316484892284493
Energy: 1.3765026787211307
Energy: 1.3645534510891024
Energy: 1.3916624700314892
Energy: 1.3795787584934525
Energy: 1.46908232982999
Energy: 1.4583289076301602
Energy: 1.5642574758480128
Energy: 1.3994525226593446
Energy: 1.399263944109214
Energy: 1.3155529638060373
Energy: 1.3285736647779962
Energy: 1.3536049246788502
Energy: 1.411003662939062
Energy: 1.4398829861397446
Energy: 1.4734521500837459
Energy: 1.4187492889400148
Energy: 1.4120800380966285
Energy: 1.4044698406715015
Energy: 1.3794418039125709
Energy: 1.318475034667957
Energy: 1.3542498651144272
Energy: 1.3642856661730545
Energy: 1.6703880118744208
Energy: 1.346134668252683
Energy: 1.424840530968981
Energy: 1.4383086880741225

minimum gb energy = 1.315201666852612 eV
minimum distance =  2.24060987885174 Angstroms
sigma value = 293


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

Energy: 1.6209686906363592
Energy: 1.2935547021396299
Energy: 1.3386578757451353
Energy: 1.4733033749381532
Energy: 1.2394148276737926
Energy: 1.3596524495637223
Energy: 1.2275421444732213
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Energy: 1.3965684442854975
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Energy: 1.2485557877386608
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Energy: 1.395773228958457
Energy: 1.2798405007791702
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Energy: 1.2265660130360876
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Energy: 1.230085194710283
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Energy: 1.246889802111186
Energy: 1.4120068144527582
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Energy: 1.2914993863623185
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Energy: 1.2903151610055503
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Energy: 1.2910505288913405
Energy: 1.2195694088006797
Energy: 1.2312802823698639
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Energy: 1.2363310391173077
Energy: 1.2272671994128204
Energy: 1.2600015946400143
Energy: 1.4127664110019305
Energy: 1.2810987782065426
Energy: 1.4140038899348482
Energy: 1.2132783622953336
Energy: 1.344262956367612
Energy: 1.2209670307661091
Energy: 1.2335217339805007
Energy: 1.2276823006127344
Energy: 1.2484610813596508
Energy: 1.4121576383774557
Energy: 1.2608813035010507
Energy: 1.2701350044601196
Energy: 1.2447284311325912
Energy: 1.3082263342357643
Energy: 1.2215154096884435
Energy: 1.2785684831616206
Energy: 1.2804357451176642
Energy: 1.2917380860262502
Energy: 1.247436071495656
Energy: 1.2264450989995814
Energy: 1.390894546530058
Energy: 1.4390978496986786
Energy: 1.2776751204347705
Energy: 1.399433960247789
Energy: 1.4007451416701835
Energy: 1.2790740126249818
Energy: 1.2302347658546835
Energy: 1.2189607458157883
Energy: 1.2273144098966664
Energy: 1.2838668076541315
Energy: 1.3991828442254823
Energy: 1.3065987545336342
Energy: 1.2822952269172514
Energy: 1.2806532483801705
Energy: 1.473098521404167
Energy: 1.2370091718758813
Energy: 1.2716770387107788
Energy: 1.277110750291489
Energy: 1.2204681568607287
Energy: 1.2232536237000293
Energy: 1.236140894805078
Energy: 1.2597962035486965
Energy: 1.4114430692451299
Energy: 1.2207379961189537
Energy: 1.2807540921209266
Energy: 1.2626885879856835
Energy: 1.2203689352155385
Energy: 1.2293079011479333
Energy: 1.2252600496144115
Energy: 1.2468280663623559
Energy: 1.276435742233995
Energy: 1.2606523248550512
Energy: 1.305239509991637
Energy: 1.439382900339561
Energy: 1.2407855444786082
Energy: 1.4725299566201113
Energy: 1.2829685612906168
Energy: 1.295388425970821
Energy: 1.2377011971705416
Energy: 1.231077230524681
Energy: 1.2268671730630791
Energy: 1.2507359324666307
Energy: 1.3987799616988803
Energy: 1.260727873220246
Energy: 1.2795045497876807
Energy: 1.4014564954098665
Energy: 1.3919340299430836
Energy: 1.328706335368677
Energy: 1.2281988648065603
Energy: 1.2259062581608247
Energy: 1.2826183975521432
Energy: 1.2867339309348371
Energy: 1.2525001073894735

minimum gb energy = 1.1106838242034358 eV
minimum distance =  2.29201596115741 Angstroms
sigma value = 15


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

Energy: 1.5321654033753043
Energy: 1.3520553678704712
Energy: 1.3701697375879642
Energy: 1.3521308691091285
Energy: 1.3413280511569916
Energy: 1.33168272812915
Energy: 1.4473964961986743
Energy: 1.3823755703802278
Energy: 1.3593179770347568
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Energy: 1.402372366425177
Energy: 1.5533560497289465
Energy: 1.5525945184008465
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Energy: 1.3556591687552426
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Energy: 1.4997392381438333
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Energy: 1.3350908385518954
Energy: 1.3609362361557276
Energy: 1.3819322845226831
Energy: 1.5550046541213975
Energy: 1.5283344406967991
Energy: 1.664826119901549
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Energy: 1.4270638969704537
Energy: 1.354130244958822
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Energy: 1.3302160377095578
Energy: 1.3373009443045438
Energy: 1.5456244347542931
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Energy: 1.3571571351635245
Energy: 1.3563951624155135
Energy: 1.5223344113924968
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Energy: 1.3677123844419388
Energy: 1.36657875301749
Energy: 1.339359423969902
Energy: 1.3558362169451943
Energy: 1.3239001678016589
Energy: 1.2981772320846376
Energy: 1.30427960502738
Energy: 1.432796099628855
Energy: 1.2836641231782995
Energy: 1.5410792167411342
Energy: 1.551594226320176
Energy: 1.543798154517207
Energy: 1.3736180892454992
Energy: 1.3481258594875276
Energy: 1.3161378524671896
Energy: 1.3181350460041201
Energy: 1.3559915681777868
Energy: 1.4597153294016016
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Energy: 1.5689183365243622
Energy: 1.50306699546619
Energy: 1.363649464422844
Energy: 1.3533161096855184
Energy: 1.338247377526968
Energy: 1.361354793371153
Energy: 1.355215830749543
Energy: 1.525747237867255
Energy: 1.4987901350610209
Energy: 1.5060256083606558
Energy: 1.4314110760624101
Energy: 1.4655188997287996
Energy: 1.3298421603306116
Energy: 1.3151043759509868
Energy: 1.3824482602037638
Energy: 1.4741700533938211
Energy: 1.3871359866332635
Energy: 1.4014504799652594
Energy: 1.3456344378581828
Energy: 1.326946683135527
Energy: 1.4600408305514914
Energy: 1.4132605476028386
Energy: 1.3574846672993268
Energy: 1.3948875531074163
Energy: 1.378775630655977
Energy: 1.3802746126431165
Energy: 1.354965752769915
Energy: 1.3860762465934393
Energy: 1.3920147888369625
Energy: 1.4085836339471758
Energy: 1.4545849840280056
Energy: 1.3963252525133922
Energy: 1.4433258636159214
Energy: 1.4729677487240205
Energy: 1.3505495047491876
Energy: 1.3705097708018015
Energy: 1.371658039856281
Energy: 1.4177624828751747
Energy: 1.408982229394174
Energy: 1.384729262111815
Energy: 1.4256402828111827
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Energy: 1.45555396541696
Energy: 1.4024119545471299
Energy: 1.3744291182583512
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Energy: 1.3896491196616239
Energy: 1.4158476800773678
Energy: 1.3821305637139285
Energy: 1.3834675922060007
Energy: 1.3823755729833298
Energy: 1.3372239388113314
Energy: 1.3875976620324122
Energy: 1.43441739046342
Energy: 1.3720868616335278
Energy: 1.372003897758395
Energy: 1.4185510808865756
Energy: 1.5020082419505907
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Energy: 1.408028974275669
Energy: 1.404888847532433
Energy: 1.4341708301230285
Energy: 1.409018945198749
Energy: 1.4082245600943963
Energy: 1.4190101751489288
Energy: 1.3833357436717595
Energy: 1.3819565111336114
Energy: 1.4846462943302732
Energy: 1.444102536889256
Energy: 1.3975745603088048
Energy: 1.5007818663126509
Energy: 1.4058536151099597
Energy: 1.3922435530729842
Energy: 1.4313852948457282
Energy: 1.458661453465283
Energy: 1.5150795019691463
Energy: 1.4754867209815916
Energy: 1.4517441873274586
Energy: 1.356273405366317
Energy: 1.343816143927606
Energy: 1.512218553435794
Energy: 1.3262467184590665
Energy: 1.3452040945876869
Energy: 1.543492806632489
Energy: 1.5006849286633555
Energy: 1.3508929222110388
Energy: 1.3549036812197872
Energy: 1.3163113033462461
Energy: 1.3165280410181401
Energy: 1.487578254338086
Energy: 1.4230034171985018
Energy: 1.3604316607855083
Energy: 1.4988053711425484
Energy: 1.3612925174431625
Energy: 1.3234769494484344
Energy: 1.313877940252685
Energy: 1.3131114740191459
Energy: 1.312548407332386
Energy: 1.368868397770953
Energy: 1.5036464606658198
Energy: 1.4707786850600617
Energy: 1.407133837928917
Energy: 1.4569354693822025
Energy: 1.3778547266607821
Energy: 1.3016380208364875
Energy: 1.2965643932243562
Energy: 1.3562508693540782
Energy: 1.3560792106292354
Energy: 1.3376785708843508
Energy: 1.5515237146911134
Energy: 1.566270405986432
Energy: 1.4041001478164707
Energy: 1.4349866009891092
Energy: 1.3597131696714702
Energy: 1.3829881448679464
Energy: 1.555218499989046
Energy: 1.3174708824615144
Energy: 1.5603815152986455
Energy: 1.351909794991927
Energy: 1.380122286746031
Energy: 1.3588515535058339
Energy: 1.4249982468893805
Energy: 1.338031930883128
Energy: 1.5563080190878809
Energy: 1.5473289448413745
Energy: 1.3820579111743283
Energy: 1.3589938486643618
Energy: 1.3243756376470404
Energy: 1.3154658185622055
Energy: 1.3414629920076826
Energy: 1.4278034224329283
Energy: 1.3781835829651632
Energy: 1.44826885052577
Energy: 1.3967687866530978
Energy: 1.3786412333332387
Energy: 1.3426308582295614
Energy: 1.3709685642775806
Energy: 1.3373931232971912
Energy: 1.3416998314284292
Energy: 1.317611881537871
Energy: 1.4440840044165324
Energy: 1.4712701262441306
Energy: 1.4100506173098861
Energy: 1.3365534312495737
Energy: 1.4244572698787559
Energy: 1.3399024171659892
Energy: 1.3355117239246983
Energy: 1.3775280337856908
Energy: 1.3829001913739498
Energy: 1.5234066405824278
Energy: 1.5240008253622346
Energy: 1.4621210510331866
Energy: 1.4441029881941194
Energy: 1.3364238189004407
Energy: 1.3766541728914028
Energy: 1.36985006323829
Energy: 1.3878961875652436
Energy: 1.4149844374096574
Energy: 1.4007767087772187
Energy: 1.447001635942863
Energy: 1.3252012875804369
Energy: 1.3426102311080141
Energy: 1.4104260495693197
Energy: 1.4004457558093597
Energy: 1.4651503014244767
Energy: 1.4504285896438889
Energy: 1.416442009535159
Energy: 1.3868840638499882
Energy: 1.3763821441888706
Energy: 1.4420088868728993
Energy: 1.4651617930072913
Energy: 1.4081282426044037
Energy: 1.470327952335654
Energy: 1.343750032013245
Energy: 1.3581133912877272
Energy: 1.4420801387345548
Energy: 1.3563080583362073
Energy: 1.415705566282167
Energy: 1.4193387025374533
Energy: 1.4581049183664727
Energy: 1.4814547851150395
Energy: 1.3835278534882938
Energy: 1.465385555024285
Energy: 1.3618368231706064
Energy: 1.3675700711436116
Energy: 1.4737777540458037
Energy: 1.4174948686300637
Energy: 1.4113754781949737
Energy: 1.3648399075014164
Energy: 1.3668721606680858
Energy: 1.3509440997531104
Energy: 1.441630326464347
Energy: 1.3643995582095294
Energy: 1.4429624750585224
Energy: 1.4146477475306882
Energy: 1.3228953298187909
Energy: 1.3523086587076023
Energy: 1.335879101859823
Energy: 1.3363774446209915
Energy: 1.3387523795090093
Energy: 1.391904987169477
Energy: 1.4691798418547293
Energy: 1.4275101380489539
Energy: 1.4098881157406074
Energy: 1.4336069763084653
Energy: 1.3627224408023735
Energy: 1.315011658514094
Energy: 1.331370672931584
Energy: 1.3573846269304723
Energy: 1.3827445245618513
Energy: 1.5528779301939044
Energy: 1.469754080634031
Energy: 1.4058906552680703
Energy: 1.3825612427149414
Energy: 1.3769748331185798
Energy: 1.379303913076141
Energy: 1.3675039967353526
Energy: 1.3309277853781947
Energy: 1.3520929399065107
Energy: 1.5449679092749575
Energy: 1.3818649448001148
Energy: 1.3608470095774572
Energy: 1.3516234388312427

minimum gb energy = 1.2836641231782995 eV
minimum distance =  2.25170675530568 Angstroms
sigma value = 437


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

Energy: 1.6008203981179385
Energy: 1.3385932049579936
Energy: 1.3470804797501226
Energy: 1.401652550686582
Energy: 1.5199046593860415
Energy: 1.4338766174147775
Energy: 1.4388713717032107
Energy: 1.3560578736303925
Energy: 1.353620482857397
Energy: 1.3449552105177673
Energy: 1.480988937310808
Energy: 1.3437262781356687
Energy: 1.4431128100105157
Energy: 1.5843490984461412
Energy: 1.3566365696991103
Energy: 1.3099111622889135
Energy: 1.3266351125440514
Energy: 1.3443143550910728
Energy: 1.443794263440001
Energy: 1.6030980302890043
Energy: 1.5044622919106683
Energy: 1.3722889066360244
Energy: 1.5956451737969102
Energy: 1.3975275947115162
Energy: 1.337508309470736
Energy: 1.3415900029572065
Energy: 1.34904967523399
Energy: 1.3498760427683205
Energy: 1.394588140122039
Energy: 1.549842900610919
Energy: 1.4454076622624652
Energy: 1.3825847216595246
Energy: 1.5146341478931942
Energy: 1.3387246463052942
Energy: 1.3432135580912201
Energy: 1.3468103567606495
Energy: 1.353392023169942
Energy: 1.3105062799872613
Energy: 1.5959499923783003
Energy: 1.5684336335719884
Energy: 1.3551224514688236
Energy: 1.5244831628927809
Energy: 1.3536794311497524
Energy: 1.3117184300781475
Energy: 1.4617657611058834
Energy: 1.4533796759332973
Energy: 1.4534571835012027
Energy: 1.5078311819723997
Energy: 1.4995023447138536
Energy: 1.3584440382425336
Energy: 1.377355909898766
Energy: 1.5720702625684542
Energy: 1.3729151942092404
Energy: 1.5061048130288188
Energy: 1.4410802555925057
Energy: 1.350169305708655
Energy: 1.3523567128101426
Energy: 1.367522210281145
Energy: 1.4761893173509264
Energy: 1.3129264492440191
Energy: 1.2886655783195078
Energy: 1.382821779335412
Energy: 1.352159770752994
Energy: 1.3982386574782024
Energy: 1.4422101730870458
Energy: 1.3347316010073742
Energy: 1.456618888596835
Energy: 1.4534442455704755
Energy: 1.4387876652453597
Energy: 1.3460958445306015
Energy: 1.28855219079997
Energy: 1.3100706902512318
Energy: 1.3387689430532286
Energy: 1.407013581939622
Energy: 1.4600752363823195
Energy: 1.4245201491201411
Energy: 1.350662081625728
Energy: 1.3452449400414446
Energy: 1.3496583346653217
Energy: 1.297810401776085
Energy: 1.476133587518162
Energy: 1.3417914118939596
Energy: 1.4402988283699423
Energy: 1.4650576029646865
Energy: 1.353471322177204
Energy: 1.3350139854501986
Energy: 1.322407379498538
Energy: 1.3233718642800996
Energy: 1.3971961239581872
Energy: 1.571973098567088
Energy: 1.4367130515987598
Energy: 1.374678618333442
Energy: 1.481147053050292
Energy: 1.3753555425770538
Energy: 1.338840841674083
Energy: 1.3224020683009674
Energy: 1.3473161308658863
Energy: 1.3284527516877767
Energy: 1.3650700815178545
Energy: 1.519461458571112
Energy: 1.337231522857498
Energy: 1.3501169983915298
Energy: 1.5857417942493763
Energy: 1.3465179801047815
Energy: 1.3464255083766603
Energy: 1.3342853817608678
Energy: 1.4219730502468115
Energy: 1.4645205605886968
Energy: 1.5568805585478052
Energy: 1.3372472744223989
Energy: 1.3475466662371314
Energy: 1.5427965210415158
Energy: 1.3285154855443857
Energy: 1.450968529329981
Energy: 1.4471422085400676
Energy: 1.3569204614250243
Energy: 1.337370919361073
Energy: 1.4144157496181982
Energy: 1.4757596960627946
Energy: 1.3913205237590978
Energy: 1.3743745511153016
Energy: 1.6006513926371975
Energy: 1.32003476326303
Energy: 1.4788740258277404
Energy: 1.421048158016934
Energy: 1.3324131780872175
Energy: 1.3542334211584213
Energy: 1.4479858005296007
Energy: 1.4394829853041344
Energy: 1.3441619980055957
Energy: 1.5641937478863142
Energy: 1.3335594303901883
Energy: 1.3539447784438814
Energy: 1.4016362875845971
Energy: 1.347692915443598
Energy: 1.5105826546390475
Energy: 1.4492816966367958
Energy: 1.378521905531363
Energy: 1.3338989396075986
Energy: 1.2935467197008128

minimum gb energy = 1.28855219079997 eV
minimum distance =  2.24965601322716 Angstroms
sigma value = 33