Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5224674642086033
cohesive_energy=4.44900897936396
mass=58.6934
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: 0.020504378240119362
Energy: 0.4012625878054386
Energy: 0.40126258780696106
Energy: 0.020504378240119362
Energy: 0.40126258780696106
Energy: 0.40126258780696106
Energy: 0.020504378240119362
Energy: 0.40126258780696106
Energy: 0.40126258780696106
Energy: 0.020504378240119362
Energy: 0.3996068252822628
Energy: 0.022891473772696177
Energy: 0.4000215023098027
Energy: 0.3996068252837852
Energy: 0.022891473772696177
Energy: 0.4000215023098027
Energy: 0.3996068252822628
Energy: 0.022891473772696177
Energy: 0.4000215023082802
Energy: 0.3996068252837852
Energy: 2.1537763497108426
Energy: 0.020913561321682324
Energy: 0.708762664088539
Energy: 2.1537763497108426
Energy: 0.23234665280130304
Energy: 0.6329902350196585
Energy: 1.9158041707039748
Energy: 0.4425547389075206
Energy: 0.6329792704352513
Energy: 1.9158041707024522
Energy: 0.3996068252822628
Energy: 0.40002150231284755
Energy: 0.02289147377726354
Energy: 0.3996068252837852
Energy: 0.4000215023067578
Energy: 0.02289147377726354
Energy: 0.3996068252837852
Energy: 0.40002150231284755
Energy: 0.02289147377421863
Energy: 0.3996068252837852
Energy: 0.020504378240119362
Energy: 0.4012625878054386
Energy: 0.4012625878054386
Energy: 0.020504378240119362
Energy: 0.4012625878054386
Energy: 0.4012625878054386
Energy: 0.02050437824468672
Energy: 0.4012625878054386
Energy: 0.4012625878054386
Energy: 0.020504378241641814
Energy: 0.3996068252837852
Energy: 0.02289147377574109
Energy: 0.40002150231284755
Energy: 0.39960682528530767
Energy: 0.022891473769651272
Energy: 0.40002150231284755
Energy: 0.3996068252822628
Energy: 0.022891473771173725
Energy: 0.40002150231284755
Energy: 0.3996068252837852
Energy: 1.2552381888067279
Energy: 0.02091356132472723
Energy: 0.24606973402661922
Energy: 1.2552381888736812
Energy: 0.020913561323204776
Energy: 0.24606973402509677
Energy: 1.2552381890851982
Energy: 0.020913561321682324
Energy: 0.24606973402509677
Energy: 1.2552381889238877

minimum gb energy = 0.020504378240119362 eV
minimum distance =  2.35917721092864 Angstroms
sigma value = 3


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

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Energy: 1.5076833906895535
Energy: 1.5070559587463375
Energy: 1.1047979847067595
Energy: 1.5076833906970117
Energy: 1.5070559587463375
Energy: 1.1712706824915717
Energy: 1.5076833906858242
Energy: 1.5070559587500667
Energy: 1.1047979847067595
Energy: 1.255576735388562
Energy: 1.14976235148913
Energy: 1.5109220709847706
Energy: 1.2555762758341855
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Energy: 1.5109220709810414
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Energy: 1.2555776133076615
Energy: 1.2095115226684503
Energy: 1.4417198399339108
Energy: 1.4907776893598954
Energy: 1.2866605510011226
Energy: 1.4417198399376403
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Energy: 1.209511522679638
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Energy: 1.4659238058903596
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Energy: 1.0435329622011449
Energy: 1.49473115726026
Energy: 1.4758866052802067
Energy: 1.1367845932337315
Energy: 1.0575382566286344
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Energy: 1.4758885413691376
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Energy: 1.020698422970176
Energy: 1.4483150845605857
Energy: 1.47981426507356
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Energy: 1.4864686738713297
Energy: 1.0206984229813638
Energy: 1.4483150845680444
Energy: 1.479814265867548
Energy: 1.0206984229776344
Energy: 1.470512041062602
Energy: 1.0437068805160092
Energy: 1.478244940482837
Energy: 1.470512041062602
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Energy: 1.4782449404716496
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Energy: 1.0437068805309262
Energy: 1.4782449404716496
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Energy: 1.191673458210746
Energy: 1.4669008538039459
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Energy: 1.1916734582182045
Energy: 1.4669008538002166
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Energy: 1.1916734582144752
Energy: 1.4669008537964874
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Energy: 1.1913438113167925
Energy: 1.4437946612728536
Energy: 1.1501213497985285
Energy: 1.1913438113205217
Energy: 1.4437946612691241
Energy: 1.150135856744338
Energy: 1.1913438113167925
Energy: 1.4437946612691241
Energy: 1.1501213497985285
Energy: 1.1913438113167925
Energy: 1.0424434148264825
Energy: 1.5076833906895535
Energy: 1.5070559587426082
Energy: 1.109169871804448
Energy: 1.5076833906932827
Energy: 1.5070559587463375
Energy: 1.0424434148264825
Energy: 1.5076833906783658
Energy: 1.5070559587537957
Energy: 1.1091698718081773
Energy: 1.2555791443543183
Energy: 1.1497623514779425
Energy: 1.5109220709847706
Energy: 1.255579447507021
Energy: 1.1497623514816715
Energy: 1.5109220709810414
Energy: 1.2555778622539908
Energy: 1.1497623514854007
Energy: 1.5109220709884996
Energy: 1.2555780303676953
Energy: 1.3687440065069676
Energy: 1.4417198399376403
Energy: 1.4267573344330098
Energy: 1.3341162088978709
Energy: 1.4417198399339108
Energy: 1.4923926318898826
Energy: 1.3687440065032384
Energy: 1.4417198399264524
Energy: 1.4923792605543509
Energy: 1.334116208886683
Energy: 1.4939290751779666
Energy: 1.5345812020138756
Energy: 1.0433582956831393
Energy: 1.4939290751705083
Energy: 1.534581202017605
Energy: 1.0433582956756808
Energy: 1.4939290751742373
Energy: 1.5345812020064171
Energy: 1.0433582956831393
Energy: 1.4939290751742373

minimum gb energy = 1.020607914715184 eV
minimum distance =  2.30354494332114 Angstroms
sigma value = 75


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

Energy: 1.3238061870014906
Energy: 1.0881979104762107
Energy: 1.088074184023074
Energy: 1.2026101410530214
Energy: 1.0881979104780304
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Energy: 1.3466051500343406
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minimum gb energy = 1.0822788366907004 eV
minimum distance =  2.27719498978233 Angstroms
sigma value = 105


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

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Energy: 1.2752598554621508
Energy: 1.3039856747184082
Energy: 1.2350651342121721
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Energy: 1.2707041143008535
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Energy: 1.3657549929476736
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Energy: 1.29512863554178
Energy: 1.3545982723161376
Energy: 1.2649409873764417
Energy: 1.3332241622028826
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Energy: 1.318933654376191
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Energy: 1.3440322915347616
Energy: 1.2863331268134985
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Energy: 1.2863331268155511
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Energy: 1.1915053235347535
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Energy: 1.3837669926412706
Energy: 1.2040987541736503
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Energy: 1.3837669926392178
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Energy: 1.3837669926433236
Energy: 1.2798566302819738
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Energy: 1.2341034802015685
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Energy: 1.3240388657798716
Energy: 1.2692821533066376
Energy: 1.3310894331403673
Energy: 1.3240388657819246
Energy: 1.269282153302532
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Energy: 1.3240388657798716
Energy: 1.2692821532963734
Energy: 1.3310894331403673
Energy: 1.3016804129278527
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Energy: 1.235688886356157
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Energy: 1.292908698947574
Energy: 1.2784153882665508
Energy: 1.278034845293198
Energy: 1.3397653172555306
Energy: 1.2784153882665508
Energy: 1.278034845293198
Energy: 1.339765317249372
Energy: 1.2784153882686036
Energy: 1.2780348452973036
Energy: 1.339765317251425
Energy: 1.2784153882665508
Energy: 1.2421981945036056
Energy: 1.3245032516699944
Energy: 1.3271940322830698
Energy: 1.2421981945138698
Energy: 1.3245032516699944
Energy: 1.3271940322830698
Energy: 1.2421981945097642
Energy: 1.3245032516699944
Energy: 1.3271940322871756
Energy: 1.2421981945015526
Energy: 1.2845430568595142
Energy: 1.257215372229105
Energy: 1.3069309207123672
Energy: 1.2845430568574616
Energy: 1.2572191581334122
Energy: 1.3069309206036017
Energy: 1.2845430568554086
Energy: 1.2572153722249992
Energy: 1.3069309207492814
Energy: 1.2845430568595142
Energy: 1.3422889282620518
Energy: 1.3055325788789802
Energy: 1.359243955519871
Energy: 1.342288928257946
Energy: 1.3055324967388444
Energy: 1.359243955517818
Energy: 1.3422889282661574
Energy: 1.3055325788769272
Energy: 1.3592439555157654
Energy: 1.3422889282620518
Energy: 1.3128715676251501
Energy: 1.302867801647685
Energy: 1.1959630007255275
Energy: 1.312871567623097
Energy: 1.302867801649738
Energy: 1.1959630007234747
Energy: 1.3128715676272027
Energy: 1.302867801649738
Energy: 1.1959630007296334
Energy: 1.3128715676251501
Energy: 1.3246642591570943
Energy: 1.3634109186032892
Energy: 1.2772597666679606
Energy: 1.3246642591591469
Energy: 1.3634119734789507
Energy: 1.2772597666659078
Energy: 1.3246642591632525
Energy: 1.3634109185930248
Energy: 1.2772597666659078
Energy: 1.3246642591673583
Energy: 1.3535088000635875
Energy: 1.3177353065963506
Energy: 1.3533290276462535
Energy: 1.3535088000697462
Energy: 1.3177246912531904
Energy: 1.3533290276503593
Energy: 1.3535088000676931
Energy: 1.3177353065922448
Energy: 1.353329027652412
Energy: 1.3535088000635875
Energy: 1.3353474183106209
Energy: 1.2345885303892399
Energy: 1.3318936243561024
Energy: 1.335347418308568
Energy: 1.234592596220427
Energy: 1.3318936243519965
Energy: 1.3353474183044625
Energy: 1.2345885303933457
Energy: 1.3318936243581554
Energy: 1.335347418306515

minimum gb energy = 1.1908300958867646 eV
minimum distance =  2.26911466287132 Angstroms
sigma value = 165


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

Energy: 1.1861809449370178
Energy: 1.2437641984383003
Energy: 1.3071175793598775
Energy: 1.1287030737809207
Energy: 1.2437641984375956
Energy: 1.3071175793619918
Energy: 1.1861809449334941
Energy: 1.243764198439005
Energy: 1.3071175793577632
Energy: 1.1287030737816257
Energy: 1.3632194632931698
Energy: 1.1286169018299843
Energy: 1.398682223885525
Energy: 1.363219463292465
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Energy: 1.3986822238827061
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Energy: 1.1286169018236416
Energy: 1.3986822238876393
Energy: 1.3632194632938743
Energy: 1.203337616149168
Energy: 1.1871252554191971
Energy: 1.1702727174369594
Energy: 1.2033376161477585
Energy: 1.187125255422721
Energy: 1.170611870389565
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Energy: 1.1871252554269496
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Energy: 1.2033376161477585
Energy: 1.3939666080981608
Energy: 1.31136117680098
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Energy: 1.3939666080967514
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Energy: 1.3939666080960464
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Energy: 1.1310910045872578
Energy: 1.128824704993111
Energy: 1.2830408780726419
Energy: 1.2623624812357275
Energy: 1.4394638933131574
Energy: 1.2479290793272062
Energy: 1.2623624812357275
Energy: 1.4394638933124526
Energy: 1.2216261781966062
Energy: 1.262362481239892
Energy: 1.4394638933096335
Energy: 1.247929079325092
Energy: 1.2623624812413017
Energy: 1.22036365663564
Energy: 1.3608925778647867
Energy: 1.4232504412074523
Energy: 1.159289871688104
Energy: 1.360892577866196
Energy: 1.4232504412074523
Energy: 1.2203636566370495
Energy: 1.3608925778669008
Energy: 1.4232504412053384
Energy: 1.1592898716902182
Energy: 1.2299765904173123
Energy: 1.199716675727562
Energy: 1.344755929656594
Energy: 1.1982346374380417
Energy: 1.1997166757310858
Energy: 1.2664158813129769
Energy: 1.2299765904144933
Energy: 1.1997166757296762
Energy: 1.3447559296544798
Energy: 1.1982346374338133
Energy: 1.3609050882622966
Energy: 1.1424248799302208
Energy: 1.3103424635699032
Energy: 1.360905088260887
Energy: 1.1424248799344494
Energy: 1.3103424635663796
Energy: 1.3609050882566587
Energy: 1.142424879935859
Energy: 1.3103424635670844
Energy: 1.360905088258068
Energy: 1.257518736057385
Energy: 1.1697517602514558
Energy: 1.2931951951087626
Energy: 1.2575187360566802
Energy: 1.1697517602493415
Energy: 1.2931951951080578
Energy: 1.2575187360594993
Energy: 1.1697517602486367
Energy: 1.2931951951024196
Energy: 1.257518736057385
Energy: 1.3050129883276225
Energy: 1.290594085451925
Energy: 1.1285260126348726
Energy: 1.305012988329032
Energy: 1.2905940854526299
Energy: 1.1285260126355774
Energy: 1.3050129883269177
Energy: 1.2905940854498108
Energy: 1.128526012630644
Energy: 1.3050129883248036
Energy: 1.1287030737795112
Energy: 1.243764198439005
Energy: 1.3071175793598775
Energy: 1.1287030737816257
Energy: 1.2437641984383003
Energy: 1.3071175793619918
Energy: 1.1287030737795112
Energy: 1.2437641984404149
Energy: 1.3071175793605823
Energy: 1.1287030737816257

minimum gb energy = 1.128526012630644 eV
minimum distance =  2.34683364319672 Angstroms
sigma value = 41


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

Energy: 1.3292057879160004
Energy: 1.1169812694531311
Energy: 1.1160054996740136
Energy: 1.2136795137814234
Energy: 1.1169812694585999
Energy: 1.116005499682217
Energy: 1.3292057879214692
Energy: 1.1169812694558656
Energy: 1.1160054996904203
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Energy: 1.134588265489056
Energy: 1.014909320301181
Energy: 1.183226469829532
Energy: 1.1345882654863213
Energy: 1.0149093203066497
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Energy: 1.1345882654753836
Energy: 1.1916077380980066
Energy: 1.0375912172059447
Energy: 1.102869540990528
Energy: 1.2192647085782484
Energy: 1.0375912172168824
Energy: 1.0644873856359784
Energy: 1.205421636208949
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Energy: 1.0648904857443042
Energy: 1.2090033419849047
Energy: 1.030630905815713
Energy: 1.0303931447551502
Energy: 1.0857538643531506
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Energy: 1.0303931447496815
Energy: 1.0857180308539256
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Energy: 1.0303931447524157
Energy: 1.0857538643531506
Energy: 1.0306309058075096
Energy: 1.0744396459315595
Energy: 1.167818768061628
Energy: 1.0788716315111893
Energy: 1.0744396459370282
Energy: 1.167818768067097
Energy: 1.078936488385907
Energy: 1.0744396459370282
Energy: 1.1678187680588936
Energy: 1.0788716315193922
Energy: 1.0744396459370282
Energy: 1.0751482688116298
Energy: 1.1665467759268726
Energy: 1.1060526945066589
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Energy: 1.1665467759268726
Energy: 1.1060526945093936
Energy: 1.0751482688061607
Energy: 1.1665467759241381
Energy: 1.1060526945011901
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Energy: 1.016222566896634
Energy: 1.1149917411344241
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Energy: 1.1149917411234866
Energy: 1.0634175761275577
Energy: 1.0162225669047877
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Energy: 1.0488045834676554
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Energy: 1.3304031345963694
Energy: 1.279121585939318
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Energy: 1.3304031346018383
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Energy: 1.0338505654207595
Energy: 1.1824307888614323
Energy: 1.0965517696809974
Energy: 1.0338505654152903
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Energy: 1.1145535413386833
Energy: 1.0338505654125563
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Energy: 1.0315502006229504
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Energy: 1.0808462675232202
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Energy: 1.0166682828449547
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Energy: 1.0166682828476894
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Energy: 1.083294922491586
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Energy: 1.1578852642643465
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Energy: 1.083294922483383
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Energy: 1.0798444818201438
Energy: 1.0282955122660662
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Energy: 1.0809122576014476
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Energy: 1.0319860048397973
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Energy: 1.032432968086084
Energy: 1.1292508558481424
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Energy: 1.2947864314903808
Energy: 1.0324329680833497
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Energy: 1.3203068074996316
Energy: 1.1644154653781436
Energy: 1.1052869160733927
Energy: 1.215912622499847
Energy: 1.164415465380878
Energy: 1.1052869160651895
Energy: 1.3203068074996316
Energy: 1.164415465380878
Energy: 1.1052869160733927
Energy: 1.2159126224916936
Energy: 1.1577944868188512
Energy: 1.0161836472348884
Energy: 1.1217968407483623
Energy: 1.1577944868324732
Energy: 1.016183647237623
Energy: 1.1217968407456278
Energy: 1.157794486835208
Energy: 1.016183647237623
Energy: 1.1217968407510968
Energy: 1.157794486835208
Energy: 1.092012260036488
Energy: 1.0414918121586905
Energy: 1.0626495285704654
Energy: 1.092012260041957
Energy: 1.0414918121532215
Energy: 1.0622798688135076
Energy: 1.0920122600474258
Energy: 1.0414918121586905
Energy: 1.0626495285650464
Energy: 1.092012260041957
Energy: 1.1495725509442805
Energy: 1.254919664793415
Energy: 1.0784348326883064
Energy: 1.1495725509442805
Energy: 1.254919664793415
Energy: 1.0784305516505206
Energy: 1.1495725509497492
Energy: 1.2549196647825271
Energy: 1.0784348326828375
Energy: 1.1495725509470145
Energy: 1.0879248708668208
Energy: 1.096562449090205
Energy: 1.0766184400460785
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Energy: 1.0766184400488128
Energy: 1.087924870875024
Energy: 1.096562449084736
Energy: 1.0766184400515473
Energy: 1.0879248708722897
Energy: 1.077703581575179
Energy: 1.0511802951233744
Energy: 1.045917160271929
Energy: 1.0777035815697105
Energy: 1.0511802951179554
Energy: 1.0459171602746633
Energy: 1.0777035815724445
Energy: 1.0511802951179554
Energy: 1.04591716026646
Energy: 1.0777035815697105
Energy: 1.0642870198864371
Energy: 1.124571760796844
Energy: 1.0932247332427072
Energy: 1.0642870198919059
Energy: 1.1245717608077817
Energy: 1.0932247332509104
Energy: 1.0642870198946404
Energy: 1.1245717607995782
Energy: 1.093224733248176
Energy: 1.0642870198919059
Energy: 1.1904226996693368
Energy: 1.023624545855577
Energy: 1.157909980062301
Energy: 1.1904226996638683
Energy: 1.023624545855577
Energy: 1.1579099800540975
Energy: 1.1904226996748057
Energy: 1.023624545855577
Energy: 1.157909980062301
Energy: 1.1904226996775402
Energy: 1.1154011215010822
Energy: 1.1163908282718258
Energy: 1.2517733079039073
Energy: 1.1154011215038167
Energy: 1.1163908282690913
Energy: 1.2902084244282057
Energy: 1.1154011215065511
Energy: 1.1163908282718258
Energy: 1.2517733079011728
Energy: 1.115401121498348
Energy: 1.015062170747073
Energy: 1.1837754104875546
Energy: 1.0998323850069216
Energy: 1.015062170747073
Energy: 1.1824039420910695
Energy: 1.1159823201391017
Energy: 1.015062170747073
Energy: 1.1837754104848204
Energy: 1.0998323850096559
Energy: 1.0150621707498073
Energy: 1.0347002914857248
Energy: 1.0814950454855146
Energy: 1.0820670253421913
Energy: 1.0347002914966128
Energy: 1.0814682952406482
Energy: 1.0819938274716558
Energy: 1.0347002915048158
Energy: 1.0814950454936683
Energy: 1.0820670253367224
Energy: 1.0347002914966128
Energy: 1.0229977511888082
Energy: 1.086656862822893
Energy: 1.0306286814397545
Energy: 1.0229977511970116
Energy: 1.086656136859625
Energy: 1.0306286814288168
Energy: 1.0229977511996964
Energy: 1.0866568628119555
Energy: 1.0306286814342858
Energy: 1.022997751191543
Energy: 1.1701561288154996
Energy: 1.0780021333645156
Energy: 1.0852979423084235
Energy: 1.170156128818234
Energy: 1.0779680908334324
Energy: 1.085297942305689
Energy: 1.1701561288209685
Energy: 1.0780021333590468
Energy: 1.0852979423084235
Energy: 1.170156128818234
Energy: 1.117750127385368
Energy: 1.1141378380674904
Energy: 1.071711341002783
Energy: 1.117750127393571
Energy: 1.1141378380811127
Energy: 1.0717113410082522
Energy: 1.1177501273963057
Energy: 1.1141378380920504
Energy: 1.0717113410109864
Energy: 1.1177501273908366

minimum gb energy = 1.014909320301181 eV
minimum distance =  2.33791886395113 Angstroms
sigma value = 185


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

Energy: 1.2119190858470748
Energy: 0.568164888990625
Energy: 0.5515091367669138
Energy: 0.9746421307952424
Energy: 0.5681648889893267
Energy: 0.5515091367649663
Energy: 1.2119190858421764
Energy: 0.5681648889864349
Energy: 0.5515091367672679
Energy: 0.9746421307952424
Energy: 0.8789841585630562
Energy: 0.5378424460403376
Energy: 0.7591962218319505
Energy: 0.8353226104973768
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Energy: 0.7591962218377929
Energy: 0.8353226104863408
Energy: 0.8982078351679432
Energy: 0.5711608964225438
Energy: 0.8562460127118945
Energy: 0.8945173692017159
Energy: 0.5711608964167012
Energy: 0.7834602507484061
Energy: 0.8982078351705397
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Energy: 0.8562460127108913
Energy: 0.8945173692075584
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Energy: 0.5666921343829839
Energy: 0.8605783302071555
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Energy: 0.5666921343891215
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Energy: 0.5667123949288794
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Energy: 0.7558365763624681
Energy: 0.7013222517479513
Energy: 0.9006689912727611
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Energy: 0.8800391032606497
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Energy: 0.7558365763540289
Energy: 0.7013222517401612
Energy: 0.900668991276302
Energy: 0.7558365763559765
Energy: 0.5517062570687917
Energy: 0.8323676928771495
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Energy: 0.5517062570739852
Energy: 0.8695079433165422
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Energy: 0.5517062570704443
Energy: 0.8323676928774446
Energy: 0.9314146497797801
Energy: 0.5517062570684967
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Energy: 0.8498756681227954
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Energy: 0.883629443381619
Energy: 0.566932823381548
Energy: 0.7627725806788643
Energy: 0.8498756681198445
Energy: 0.566932823381902
Energy: 0.7627725806753233
Energy: 0.726838095599612
Energy: 0.8631081607071679
Energy: 0.5500775720410626
Energy: 0.7266492273321323
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Energy: 0.7268380955980184
Energy: 0.8631081607032728
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Energy: 0.7266492273291816
Energy: 0.9437085083972
Energy: 0.8443835251902243
Energy: 0.538165611899117
Energy: 0.994531776938538
Energy: 0.881682730528347
Energy: 0.5381656118997662
Energy: 0.9437085084056394
Energy: 0.8443835251801325
Energy: 0.5381656119027171
Energy: 0.9945317769408397
Energy: 0.8771906178996958
Energy: 0.9357600856361145
Energy: 0.5679552376796984
Energy: 0.8701214022586571
Energy: 0.9357600856318654
Energy: 0.5679552376793442
Energy: 0.8771906178987514
Energy: 0.9357600856335178
Energy: 0.5679552376777507
Energy: 0.8701214022567686
Energy: 0.9930182343183891
Energy: 0.5681648889925726
Energy: 0.5515091367659695
Energy: 0.8922585224991636
Energy: 0.5681648889935758
Energy: 0.551509136764317
Energy: 0.9930182343171499
Energy: 0.5681648889867299
Energy: 0.5515091367649663
Energy: 0.8922585225024094
Energy: 0.9100696424063627
Energy: 0.5378424460383899
Energy: 0.8420048654389077
Energy: 0.8609336824659052
Energy: 0.5378424460373866
Energy: 0.8378016617085257
Energy: 0.9100696424093134
Energy: 0.5378424460377408
Energy: 0.8420048654412094
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Energy: 0.9439811086816465
Energy: 0.5711608964208913
Energy: 0.8870041716609695
Energy: 0.9949089443711727
Energy: 0.5711608964189437
Energy: 0.8496612393532845
Energy: 0.9439811086793448
Energy: 0.5711608964179996
Energy: 0.8870041716586679
Energy: 0.9949089443607858
Energy: 0.9158311085394779
Energy: 0.566692134387174
Energy: 0.9104815354515523
Energy: 0.9158311085316876
Energy: 0.5666921343878232
Energy: 0.8479007916734314
Energy: 0.9158311085271434
Energy: 0.5666921343875281
Energy: 0.9104815354467132
Energy: 0.9158311085352877
Energy: 0.5514276247054655
Energy: 0.5667123949213843
Energy: 0.8833722778842401
Energy: 0.551427624700272
Energy: 0.5667123949246302
Energy: 0.8499232604294592
Energy: 0.551427624696731
Energy: 0.5667123949304728
Energy: 0.8833722778923252
Energy: 0.5514276246993277
Energy: 0.7558365763605206
Energy: 0.8717086536663156
Energy: 0.8758188694807935
Energy: 0.7558365763543241
Energy: 0.6639849544031912
Energy: 0.8696972407540551
Energy: 0.7558365763562714
Energy: 0.8717086536728073
Energy: 0.8758188694792001
Energy: 0.7558365763598714
Energy: 0.5517062570681427
Energy: 0.8695158142872838
Energy: 0.9314146497839701
Energy: 0.5517062570710936
Energy: 0.9076143514968751
Energy: 0.9314146497843244
Energy: 0.5517062570691459
Energy: 0.8695158142840377
Energy: 0.9314146497833209
Energy: 0.551706257069441
Energy: 0.7627725806769168
Energy: 0.8435554079990013
Energy: 0.566932823378007
Energy: 0.7627725806753233
Energy: 0.8366995780378202
Energy: 0.5669328233783021
Energy: 0.7627725806795134
Energy: 0.8435554080054931
Energy: 0.5669328233808988
Energy: 0.762772580677566
Energy: 0.7640816875428766
Energy: 0.8994436571857781
Energy: 0.5500775720394102
Energy: 0.6942532340423893
Energy: 0.9140950982460454
Energy: 0.5500775720368725
Energy: 0.764081687540634
Energy: 0.8994436571812339
Energy: 0.5500775720368725
Energy: 0.6942532340537793
Energy: 0.8978232601598188
Energy: 0.7863485912188392
Energy: 0.5381656119007694
Energy: 0.9951914469881074
Energy: 0.8580110244588551
Energy: 0.5381656118975237
Energy: 0.8978232601546254
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Energy: 0.5381656118997662
Energy: 0.9951914469903498
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Energy: 0.9357600856403047
Energy: 0.567955237678695
Energy: 0.8047588300881281
Energy: 0.9357600856361145
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Energy: 0.9167410392723514
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Energy: 0.8047588300871247
Energy: 1.2119190858470748
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Energy: 0.5515091367630187
Energy: 0.9746421307962457
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Energy: 0.5515091367636679
Energy: 1.2119190858444782
Energy: 0.5681648889815365
Energy: 0.5515091367646711
Energy: 0.9746421307962457
Energy: 0.8789841585627022
Energy: 0.5378424460377408
Energy: 0.7591962218322454
Energy: 0.8353226104889374
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Energy: 0.8614846000931949
Energy: 0.8789841585704923
Energy: 0.5378424460377408
Energy: 0.759196221834547
Energy: 0.8353226104928325
Energy: 0.8982078351695956
Energy: 0.5711608964179996
Energy: 0.8562460127089437
Energy: 0.8945173692007125
Energy: 0.571160896415698
Energy: 0.7834602507503537
Energy: 0.8982078351718381
Energy: 0.5711608964134554
Energy: 0.856246012710242
Energy: 0.8945173692056109
Energy: 0.9158311085346386
Energy: 0.5666921343875281
Energy: 0.8605783302058572
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Energy: 0.5666921343881772
Energy: 0.8713244320240375
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Energy: 0.5666921343858756
Energy: 0.8605783302123488
Energy: 0.9158311085323368
Energy: 0.5514276247038719
Energy: 0.5667123949236859
Energy: 0.8366876521459753
Energy: 0.5514276247028687
Energy: 0.5667123949285252
Energy: 0.8434761498898982
Energy: 0.5514276246973802
Energy: 0.5667123949272269
Energy: 0.8366876521485719
Energy: 0.5514276246980293
Energy: 0.7558365763575698
Energy: 0.7013222517440562
Energy: 0.9006689912711087
Energy: 0.7558365763520813
Energy: 0.8800391032589973
Energy: 0.8379047083183242
Energy: 0.7558365763530257
Energy: 0.7013222517440562
Energy: 0.9006689912766562
Energy: 0.755836576357924
Energy: 0.5517062570710936
Energy: 0.8323676928784478
Energy: 0.9314146497849736
Energy: 0.5517062570759327
Energy: 0.8695079433149489
Energy: 0.9314146497846193
Energy: 0.551706257073336
Energy: 0.8323676928754971
Energy: 0.9314146497826717
Energy: 0.5517062570704443
Energy: 0.7627725806753233
Energy: 0.8498756681230903
Energy: 0.566932823374407
Energy: 0.762772580674674
Energy: 0.8836294433799665
Energy: 0.5669328233773577
Energy: 0.7627725806792184
Energy: 0.8498756681182511
Energy: 0.5669328233825512
Energy: 0.7627725806772708
Energy: 0.726838095599612
Energy: 0.8631081607048661
Energy: 0.5500775720381709
Energy: 0.7266492273353783
Energy: 0.8573601933768134
Energy: 0.5500775720378168
Energy: 0.7268380955960708
Energy: 0.8631081607048661
Energy: 0.550077572038761
Energy: 0.7266492273285324
Energy: 0.943708508401095
Energy: 0.8443835251872736
Energy: 0.5381656118971695
Energy: 0.9945317769388922
Energy: 0.881682730527993
Energy: 0.5381656118965203
Energy: 0.9437085084004458
Energy: 0.8443835251804866
Energy: 0.538165611899117
Energy: 0.994531776941784
Energy: 0.8771906178996958
Energy: 0.9357600856383571
Energy: 0.5679552376777507
Energy: 0.8701214022625522
Energy: 0.9357600856354653
Energy: 0.5679552376799933
Energy: 0.8771906178964498
Energy: 0.9357600856370587
Energy: 0.5679552376754491
Energy: 0.870121402254821

minimum gb energy = 0.5378424460364424 eV
minimum distance =  2.34740718937192 Angstroms
sigma value = 33


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

Energy: 0.9824703585957602
Energy: 1.0425913070762471
Energy: 1.0426015992389808
Energy: 0.9348905993912499
Energy: 1.0425913070762471
Energy: 1.0426015992425448
Energy: 0.9824703585957602
Energy: 1.0425913070762471
Energy: 1.0426015992425448
Energy: 0.9348905993894681
Energy: 1.0251411226181328
Energy: 0.9560197131039727
Energy: 1.016472637869545
Energy: 1.0251411226181328
Energy: 0.9560197131039727
Energy: 1.0164726378677633
Energy: 1.0251411226181328
Energy: 0.9560197131111003
Energy: 1.016472637869545
Energy: 1.0251411226199145
Energy: 1.0112078971490683
Energy: 0.9499122713453292
Energy: 1.0061542805038481
Energy: 0.986845929379377
Energy: 0.9499122713382018
Energy: 1.0154132624278869
Energy: 1.0112078971508505
Energy: 0.9499122713364198
Energy: 1.0133690866767484
Energy: 0.986845929381159
Energy: 1.1542333522152781
Energy: 0.958555424410071
Energy: 1.0931953171925899
Energy: 1.15423335221706
Energy: 0.958555424410071
Energy: 1.0931953171961537
Energy: 1.1542333522188417
Energy: 0.9585554244047253
Energy: 1.0931953171890263
Energy: 1.1542333522152781
Energy: 1.0638057824645237
Energy: 0.99421123720454
Energy: 0.9566794849955027
Energy: 1.0638057824645237
Energy: 0.9942112372063218
Energy: 0.9566794849937208
Energy: 1.063805782471619
Energy: 0.9942112372009763
Energy: 0.9566794849972847
Energy: 1.0638057824663056
Energy: 1.0445401168712478
Energy: 1.039776247056133
Energy: 0.984055116447957
Energy: 1.0445401168694661
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Energy: 1.0445401168676844
Energy: 1.0397762470614786
Energy: 0.984055116449739
Energy: 1.0445401168694661
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Energy: 1.09531332524775
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Energy: 1.0100982270196706
Energy: 1.0953133252353093
Energy: 0.9490670800872526
Energy: 1.0172794531747482
Energy: 0.9665536439965933
Energy: 0.9920830484671532
Energy: 1.0172794531729663
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Energy: 0.992083048470717
Energy: 1.01727945317653
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Energy: 1.011888382251718
Energy: 0.9054719553483158
Energy: 1.1585772020949583
Energy: 1.0118883822552818
Energy: 0.9054719553518796
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Energy: 1.0118883822481544
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Energy: 1.0133158775553663
Energy: 0.9579517380100832
Energy: 1.0794174058221853
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Energy: 0.9579517380083014
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Energy: 1.013315877560712
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Energy: 1.0794174058097117
Energy: 1.0133158775589302
Energy: 1.0386957619379649
Energy: 1.0602707467872758
Energy: 0.9735764169079812
Energy: 1.0386957619397466
Energy: 1.0602707467890573
Energy: 0.9733645208996844
Energy: 1.0386957619326191
Energy: 1.0602707467908392
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Energy: 1.038695761930837
Energy: 0.9556866043876514
Energy: 1.0533698566960743
Energy: 1.0860864031377122
Energy: 0.955686604391215
Energy: 1.0529868754456144
Energy: 1.119730666122976
Energy: 0.9556866043876514
Energy: 1.0533698566978564
Energy: 1.0860864018660212
Energy: 0.955686604391215
Energy: 0.9486853899221103
Energy: 0.9856560073435252
Energy: 0.9871649183657477
Energy: 0.9486853899238923
Energy: 0.985632545405268
Energy: 0.9870937563985662
Energy: 0.9486853899256742
Energy: 0.9856560073399617
Energy: 0.9871649183710934
Energy: 0.9486853899256742
Energy: 0.9566270329984011
Energy: 1.0201187666248082
Energy: 0.977965633608335
Energy: 0.9566270329966193
Energy: 1.0073086457376612
Energy: 0.9779656336029894
Energy: 0.9566270330001829
Energy: 1.0201187666337177
Energy: 0.9779656336065532
Energy: 0.9566270330001829
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Energy: 0.9602211133091064
Energy: 1.0381119035668063
Energy: 1.0427077559753264
Energy: 0.9365942992791741
Energy: 1.0381119035668063
Energy: 1.0427077559771083
Energy: 0.9602211133126702
Energy: 1.0381119035650244
Energy: 1.042707755982454
Energy: 0.9998648386481405
Energy: 1.0262914273938202
Energy: 0.9560506400722363
Energy: 0.9998648386499224
Energy: 1.0262914274009478
Energy: 0.9560506400668907
Energy: 0.999864838655268
Energy: 1.026291427395602
Energy: 0.9560506400722363
Energy: 0.9998648386588318
Energy: 1.0103266382718368
Energy: 1.1509691056013867
Energy: 0.978778685866253
Energy: 1.0103266382664913
Energy: 1.150969105597823
Energy: 0.9787786858751302
Energy: 1.0103266382664913
Energy: 1.1509691055960412
Energy: 0.9787786858733482
Energy: 1.0103266382664913
Energy: 1.0163617562854241
Energy: 1.0829870005091466
Energy: 0.9483486735742171
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Energy: 1.0508603185587588
Energy: 0.9736300834229831
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Energy: 0.9521627865971718
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Energy: 1.026230791016988
Energy: 0.952162786591826

minimum gb energy = 0.9049948883374768 eV
minimum distance =  2.28508995808911 Angstroms
sigma value = 219


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

Energy: 1.1273030654484535
Energy: 1.3407197458680484
Energy: 1.3407190101003517
Energy: 1.1273030654472742
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Energy: 1.189399904376042
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Energy: 1.192837187163397
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Energy: 1.2638638152911872
Energy: 1.3409361106333202
Energy: 1.1274292750264798
Energy: 1.2638638152888286
Energy: 1.3409361106344995
Energy: 1.1274292750253008
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Energy: 1.3409361106333202
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Energy: 1.2396591790199287
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Energy: 1.2826363098442353
Energy: 1.2396591790199287
Energy: 1.2642651818788049
Energy: 1.2826363098454143
Energy: 1.2396591790187492

minimum gb energy = 1.1273030654472742 eV
minimum distance =  2.32864099549221 Angstroms
sigma value = 15


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

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Energy: 1.411000393894833
Energy: 1.369068718116951
Energy: 1.3244641929195118
Energy: 1.3313175435087738
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minimum gb energy = 1.3078726354882075 eV
minimum distance =  2.29062266225424 Angstroms
sigma value = 293


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

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Energy: 1.3292434407423548
Energy: 1.3202937512251849
Energy: 1.337291273366182
Energy: 1.3292434407423548
Energy: 1.3202937512251849
Energy: 1.3372912733635183
Energy: 1.3858030196984414
Energy: 1.3728990110754973
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Energy: 1.3728990110754973
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Energy: 1.3728990110781614
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Energy: 1.3858030196984414
Energy: 1.336183289358411
Energy: 1.3538960952780377
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Energy: 1.3547726007634995
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Energy: 1.3547726007555083
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Energy: 1.3858453820744874
Energy: 1.3287160408704026
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Energy: 1.3287160408730663
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Energy: 1.3353254331180793
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Energy: 1.3406175127614668
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Energy: 1.3150040967065642
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Energy: 1.4228987328143607
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Energy: 1.3150040955430433
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Energy: 1.3150040959424103
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Energy: 1.3166132879563965
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Energy: 1.3274406034906132
Energy: 1.3166132879590604
Energy: 1.3396388784977973
Energy: 1.3274406034879496
Energy: 1.425694788619678
Energy: 1.3310920814854545
Energy: 1.3310692023725412
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Energy: 1.3310920814854545
Energy: 1.3310692023725412
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Energy: 1.3310920814854545
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Energy: 1.425694788619678
Energy: 1.327444423496229
Energy: 1.3395938738416435
Energy: 1.3418896965700584
Energy: 1.327444423496229
Energy: 1.3395938738443072
Energy: 1.3418896965594034
Energy: 1.327444423496229
Energy: 1.3395938738522986
Energy: 1.341889696564731
Energy: 1.3274444234988925
Energy: 1.314752614054352
Energy: 1.4232464643551748
Energy: 1.419380518314802
Energy: 1.3147526143126378
Energy: 1.4232464643551748
Energy: 1.419380518314802
Energy: 1.3147526141741719
Energy: 1.4232464643525111
Energy: 1.419380518314802
Energy: 1.3147526141954817
Energy: 1.4678109976572895
Energy: 1.3405226937849697
Energy: 1.3316454461215979
Energy: 1.4678109976572895
Energy: 1.3405226937849697
Energy: 1.3316454461242617
Energy: 1.4678109976572895
Energy: 1.3405226937849697
Energy: 1.3316454461242617
Energy: 1.4678109976572895
Energy: 1.372593648006234
Energy: 1.4377623953732206
Energy: 1.3190598178081987
Energy: 1.3725936480115613
Energy: 1.4377623953732206
Energy: 1.3190598178055832
Energy: 1.372593648006234
Energy: 1.4377623953758842
Energy: 1.3190598178055832
Energy: 1.372593648006234

minimum gb energy = 1.3147526139345806 eV
minimum distance =  2.2824265764266 Angstroms
sigma value = 293


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

Energy: 1.2645521378625635
Energy: 1.264841107405954
Energy: 1.2651521066960973
Energy: 1.2645521378625635
Energy: 1.2648411074049912
Energy: 1.265152106694653
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Energy: 1.2634489248946805
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Energy: 1.2639262512528389
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Energy: 1.2651158548492256
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Energy: 1.2651158548463368
Energy: 1.2663805165814443
Energy: 1.2651319707579618
Energy: 1.2651158548472996
Energy: 1.2645521378635263
Energy: 1.2648411074083614
Energy: 1.265152106695616
Energy: 1.264552137861119
Energy: 1.2648411074049912
Energy: 1.265152106695616
Energy: 1.2645521378635263
Energy: 1.2648411074054726
Energy: 1.265152106695616
Energy: 1.2645521378620819
Energy: 1.2646406903649896
Energy: 1.2645738314444388
Energy: 1.2654211368446044
Energy: 1.2646406903621012
Energy: 1.2645738314444388
Energy: 1.2654211368436417
Energy: 1.2646406903645084
Energy: 1.264573831443476
Energy: 1.265421136844123
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Energy: 1.2634489248941991
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Energy: 1.2412754820658927
Energy: 1.2634489248941991
Energy: 1.2639262512528389
Energy: 1.2413312631067586
Energy: 1.2634489248941991
Energy: 1.2639262512513947
Energy: 1.2418504398047978
Energy: 1.2634489248946805
Energy: 1.2413869693494017
Energy: 1.2639883248222348
Energy: 1.2636445838075812
Energy: 1.2413872085645608
Energy: 1.263988324821272
Energy: 1.263644583806137
Energy: 1.2413871263804057
Energy: 1.2639883248207904
Energy: 1.2636445838070995
Energy: 1.2413866708127588
Energy: 1.266380516580963
Energy: 1.2651319707555546
Energy: 1.2651158548472996
Energy: 1.2663805165804813
Energy: 1.2651319707579618
Energy: 1.2651158548501884
Energy: 1.2663805165833701
Energy: 1.265131970756036
Energy: 1.2651158548463368
Energy: 1.2663805165833701
Energy: 1.264841107405954
Energy: 1.265152106694653
Energy: 1.2645521378635263
Energy: 1.2648411074049912
Energy: 1.2651521066980231
Energy: 1.2645521378625635
Energy: 1.2648411074045098
Energy: 1.2651521066941716
Energy: 1.2645521378635263
Energy: 1.264841107405954
Energy: 1.2645738314429944
Energy: 1.265421136844123
Energy: 1.2646406903611382
Energy: 1.2645738314439574
Energy: 1.2654211368474928
Energy: 1.264640690366434
Energy: 1.2645738314439574
Energy: 1.2654211368460486
Energy: 1.2646406903625826
Energy: 1.2645738314449204

minimum gb energy = 1.2409668380249486 eV
minimum distance =  2.33798307405688 Angstroms
sigma value = 15


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

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Energy: 1.3154514043965908
Energy: 1.3524592672859734
Energy: 1.3021486501874873
Energy: 1.3154514044009553
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Energy: 1.458490476568664
Energy: 1.2861696586721023
Energy: 1.3672866418885916
Energy: 1.4901270625457361
Energy: 1.2865163086157212
Energy: 1.3672866418864091
Energy: 1.458490476557752
Energy: 1.286169658676467
Energy: 1.3672866418929168
Energy: 1.4901270625544658
Energy: 1.3864949988633248
Energy: 1.288402446915787
Energy: 1.4538166929331728
Energy: 1.3864949988567778
Energy: 1.2884024469070576
Energy: 1.4538166929309904
Energy: 1.3864949988633248
Energy: 1.2884024469136048
Energy: 1.4538166929375376
Energy: 1.3864949988611426
Energy: 1.4885489102937919
Energy: 1.4165961340565292
Energy: 1.2919811591778088
Energy: 1.4885489102937919
Energy: 1.4165961340521644
Energy: 1.2919834838672823
Energy: 1.4885489102916094
Energy: 1.4165961340521644
Energy: 1.291981159184356
Energy: 1.4885489102937919
Energy: 1.301979800772425
Energy: 1.4359792497163955
Energy: 1.4554005229476061
Energy: 1.301979800765878
Energy: 1.4359792497163955
Energy: 1.4554005229454237
Energy: 1.3019798007702426
Energy: 1.4359792497229424
Energy: 1.455400522941059
Energy: 1.3019798007746075
Energy: 1.3390864727491147
Energy: 1.4534186717706288
Energy: 1.352186660977039
Energy: 1.302431354142141
Energy: 1.4534186717706288
Energy: 1.352186660974857
Energy: 1.339086472757844
Energy: 1.453418671772811
Energy: 1.3521866609726745
Energy: 1.3024313541399588
Energy: 1.3399647997930322
Energy: 1.4106475446905522
Energy: 1.4483187559058954
Energy: 1.3030529201877947
Energy: 1.41064754468837
Energy: 1.442115563739247
Energy: 1.3399647997952144
Energy: 1.4106475446927345
Energy: 1.4483187559146244
Energy: 1.3030529201856125
Energy: 1.3039910985570144
Energy: 1.3010985798477415
Energy: 1.4710762257660905
Energy: 1.3039910985613394
Energy: 1.301098574695288
Energy: 1.471076225768273
Energy: 1.3039910985570144
Energy: 1.3010985764905836
Energy: 1.471076225768273
Energy: 1.3039910985613394
Energy: 1.5430804562977558
Energy: 1.293843829559619
Energy: 1.393081499310018
Energy: 1.5430804563064855
Energy: 1.2938438295508894
Energy: 1.3930814993165652
Energy: 1.5430804563086677
Energy: 1.2938438295574368
Energy: 1.3930814993165652
Energy: 1.5430804562999383
Energy: 1.3794988202971235
Energy: 1.4530878439173955
Energy: 1.288843627252067
Energy: 1.3794988202971235
Energy: 1.4530878439173955
Energy: 1.2891046746399695
Energy: 1.3794988202971235
Energy: 1.4530878439108483
Energy: 1.288843627247702
Energy: 1.3794988203014882
Energy: 1.5832304166138331
Energy: 1.3824851790931634
Energy: 1.2875998814915617
Energy: 1.583230416618198
Energy: 1.3824851790974881
Energy: 1.2875998814915617
Energy: 1.583230416618198
Energy: 1.3824851790953454
Energy: 1.2875998814959262
Energy: 1.5832304166138331
Energy: 1.3600661952791742
Energy: 1.446518256177772
Energy: 1.4196759105491639
Energy: 1.3600661952748092
Energy: 1.446518256177772
Energy: 1.4196759105447991
Energy: 1.3600661952791742
Energy: 1.4465182561799546
Energy: 1.4196759105469816
Energy: 1.3600661952748092
Energy: 1.4539239344094825
Energy: 1.3884341754712304
Energy: 1.2999518651829653
Energy: 1.453923934411665
Energy: 1.3884341754712304
Energy: 1.2999518651851478
Energy: 1.4539239344051178
Energy: 1.3884341754777776
Energy: 1.2999518651829653
Energy: 1.4539239344029355
Energy: 1.3273800966393519
Energy: 1.346126136319167
Energy: 1.3435248687854302
Energy: 1.3273800966349871
Energy: 1.3461261363126198
Energy: 1.3435248687876125
Energy: 1.3273800966393519
Energy: 1.3461261363169845
Energy: 1.3435248687854302
Energy: 1.3273800966371696
Energy: 1.441567755055739
Energy: 1.325657430498204
Energy: 1.32706260083276
Energy: 1.4415677550382802
Energy: 1.3082318175766579
Energy: 1.308013156519649
Energy: 1.4415677550470094
Energy: 1.325657430493839
Energy: 1.32706260083276
Energy: 1.4415677550448271
Energy: 1.4310462007378728
Energy: 1.299856167429433
Energy: 1.3885181549383558
Energy: 1.4310462007378728
Energy: 1.2998561674272504
Energy: 1.3885181549340306
Energy: 1.431046200746602
Energy: 1.2998561674250682
Energy: 1.388518154947085
Energy: 1.4310462007378728
Energy: 1.340226398589176
Energy: 1.479007943834899
Energy: 1.3387643345960807
Energy: 1.3402263985913188
Energy: 1.4790079438392638
Energy: 1.3387643345960807
Energy: 1.3402263985935012
Energy: 1.4790079438305346
Energy: 1.338764334598263
Energy: 1.3402263985913188
Energy: 1.3863880028226332
Energy: 1.2852856468914404
Energy: 1.4269004626330246
Energy: 1.3863880028313627
Energy: 1.2853023971365916
Energy: 1.4269004626330246
Energy: 1.3863880028248154
Energy: 1.2852856468979874
Energy: 1.4269004626373498
Energy: 1.3863880028204507
Energy: 1.3867735177347709
Energy: 1.2993680615148067
Energy: 1.4450078257727503
Energy: 1.3867735177435003
Energy: 1.2993680615148067
Energy: 1.445007825777115
Energy: 1.386773517741318
Energy: 1.2993680615191714
Energy: 1.4450078257792975
Energy: 1.3867735177325884
Energy: 1.4033704655497619
Energy: 1.3468123319523477
Energy: 1.2918705324277115
Energy: 1.4033704655497619
Energy: 1.3468123319523477
Energy: 1.292200420087043
Energy: 1.4033704655432149
Energy: 1.3468123319545302
Energy: 1.2918705324320765
Energy: 1.4033704655475794
Energy: 1.299451209737037
Energy: 1.334835549730573
Energy: 1.4603559946990599
Energy: 1.2994512097457267
Energy: 1.3348355497327555
Energy: 1.4603559947034246
Energy: 1.299451209741362
Energy: 1.3348355497240258
Energy: 1.4603559946968776
Energy: 1.2994512097457267
Energy: 1.3032852084604698
Energy: 1.449707556689769
Energy: 1.5090626999728247
Energy: 1.3032852084713817
Energy: 1.4497075566854043
Energy: 1.5090626999706425
Energy: 1.3032852084582875
Energy: 1.449707556689769
Energy: 1.5090626999793721
Energy: 1.3032852084582875

minimum gb energy = 1.2852856468914404 eV
minimum distance =  2.28964823674732 Angstroms
sigma value = 437


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

Energy: 1.2504594891042287
Energy: 1.26641474150601
Energy: 1.2668067585501064
Energy: 1.2504594891050238
Energy: 1.26641474150601
Energy: 1.266806758546131
Energy: 1.2504594891034335
Energy: 1.2664147415068054
Energy: 1.2668067585501064
Energy: 1.2504594891050238
Energy: 1.592157331841907
Energy: 1.2493955849892266
Energy: 1.3582825004919947
Energy: 1.5921573318427025
Energy: 1.249395584992407
Energy: 1.3582825004943802
Energy: 1.592157331841907
Energy: 1.2493955849892266
Energy: 1.3582825004919947
Energy: 1.5921573318434972
Energy: 1.4142328913948763
Energy: 1.2378993722470828
Energy: 1.4601323691107166
Energy: 1.4109708758353754
Energy: 1.2378993722478782
Energy: 1.5112081932784407
Energy: 1.4142328913948763
Energy: 1.2378993722470828
Energy: 1.5111895086737686
Energy: 1.414232891402032
Energy: 1.369232040920106
Energy: 1.3976225129340774
Energy: 1.2688877668725818
Energy: 1.369232040919311
Energy: 1.3976225129364626
Energy: 1.2688877668733767
Energy: 1.369232040920106
Energy: 1.3976225129340774
Energy: 1.2688877668717866
Energy: 1.3692320409185157
Energy: 1.2744371955241542
Energy: 1.2536043618589232
Energy: 1.5457140012718726
Energy: 1.2744371955233593
Energy: 1.2536043618613084
Energy: 1.5457140012726676
Energy: 1.2744371955241542
Energy: 1.2536043618597184
Energy: 1.5457140012718726
Energy: 1.2744371955233593
Energy: 1.2688865078251383
Energy: 1.4140847385344013
Energy: 1.2486089609545492
Energy: 1.2688865078299087
Energy: 1.4140847385359916
Energy: 1.2486089609553441
Energy: 1.2688865078251383
Energy: 1.4140847385359916
Energy: 1.2486089609545492
Energy: 1.2688865078299087
Energy: 1.2963563428149467
Energy: 1.266353685926738
Energy: 1.2375157248344706
Energy: 1.2963563428125613
Energy: 1.2663536859283282
Energy: 1.237515724839241
Energy: 1.2963563428133562
Energy: 1.2663536859259428
Energy: 1.2375157248352657
Energy: 1.296356342810971
Energy: 1.2576171177873159
Energy: 1.4473736448968555
Energy: 1.3553065769667672
Energy: 1.257617117788111
Energy: 1.4473736448944705
Energy: 1.3553065769627917
Energy: 1.2576171177873159
Energy: 1.4473736448968555
Energy: 1.3553065769659722
Energy: 1.257617117788111
Energy: 1.2949597009908824
Energy: 1.3591496782810253
Energy: 1.2536394763555647
Energy: 1.2949597009908824
Energy: 1.3591496782841335
Energy: 1.25363947635795
Energy: 1.2949597009924723
Energy: 1.359149678281748
Energy: 1.2536394763555647
Energy: 1.2949597009924723
Energy: 1.3564797815489085
Energy: 1.2751355099339163
Energy: 1.4115476866548184
Energy: 1.3564797815504983
Energy: 1.2751355099378916
Energy: 1.4115476850614155
Energy: 1.3564797815489085
Energy: 1.2751355099339163
Energy: 1.4115476864728185
Energy: 1.3564797815512935
Energy: 1.354157526912917
Energy: 1.2442511519142583
Energy: 1.2649256814343959
Energy: 1.3541575269137118
Energy: 1.2442511519134631
Energy: 1.2649256814328058
Energy: 1.354157526912917
Energy: 1.2442511519142583
Energy: 1.264925681435191
Energy: 1.354157526912917
Energy: 1.2685252777218337
Energy: 1.2459355358597908
Energy: 1.2558715551763378
Energy: 1.2685252777242189
Energy: 1.2459355358589956
Energy: 1.255871555177133
Energy: 1.2685252777218337
Energy: 1.245935535860586
Energy: 1.2558715551763378
Energy: 1.2685252777250142
Energy: 1.2537698553750967
Energy: 1.3066031939089595
Energy: 1.253162276698402
Energy: 1.2537698553750967
Energy: 1.3066031939081646
Energy: 1.2531622766944268
Energy: 1.2537698553743015
Energy: 1.3066031939089595
Energy: 1.253162276698402
Energy: 1.2537698553750967
Energy: 1.2697188065281702
Energy: 1.2681453187840395
Energy: 1.3552136261266579
Energy: 1.2697188065273752
Energy: 1.2681453187816543
Energy: 1.355213626127453
Energy: 1.2697188065289653
Energy: 1.2681453187840395
Energy: 1.3552136261266579
Energy: 1.2697188065265799

minimum gb energy = 1.2375157248344706 eV
minimum distance =  2.29611244925365 Angstroms
sigma value = 33