Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855258293449879
cohesive_energy=4.134425479783591
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.015686896051282505
Energy: 0.5674564207963473
Energy: 0.01568689605089485
Energy: 0.5674564207931321
Energy: 0.015686896051282505
Energy: 0.5674564207927216
Energy: 0.01568689605089485
Energy: 0.016412370789004704
Energy: 0.5543462778431878
Energy: 0.016412370789004704
Energy: 0.5543462778447839
Energy: 0.016412370789004704
Energy: 0.5543462778435755
Energy: 0.01641237078941516
Energy: 0.41534642901702806
Energy: 0.5653167183106171
Energy: 0.41534642901622987
Energy: 0.5653167183110275
Energy: 0.4153464290154089
Energy: 0.5653167183090209
Energy: 0.4153464290158194
Energy: 0.016412370789004704
Energy: 0.5543462778439858
Energy: 0.016412370787796136
Energy: 0.5543462778435755
Energy: 0.016412370789004704
Energy: 0.5543462778439858
Energy: 0.016412370788206593
Energy: 0.01568689605089485
Energy: 0.5674564207915129
Energy: 0.01568689605089485
Energy: 0.567456420790715
Energy: 0.015686896051282505
Energy: 0.5674564207939301
Energy: 0.015686896051282505
Energy: 0.016412370788206593
Energy: 0.5543462778443963
Energy: 0.01641237078941516
Energy: 0.5543462778439858
Energy: 0.016412370788617053
Energy: 0.5543462778443963
Energy: 0.016412370788206593

minimum gb energy = 0.01568689605089485 eV
minimum distance =  2.46890111245481 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.3460450678491631
Energy: 1.6026492292942598
Energy: 1.3460450678467115
Energy: 1.60264922929475
Energy: 1.3460450678491631
Energy: 1.6026492292937695
Energy: 1.3460450678467115
Energy: 1.3059628912255556
Energy: 1.2778939949856116
Energy: 1.3059628912235945
Energy: 1.277893994986102
Energy: 1.3059628912270265
Energy: 1.2778939949856116
Energy: 1.3059628912226138
Energy: 1.2431307428482963
Energy: 1.2710307070491746
Energy: 1.2431307428502127
Energy: 1.2710307070486841
Energy: 1.2431307428487866
Energy: 1.271030707049665
Energy: 1.2431307428511935
Energy: 1.2433936410095245
Energy: 1.3201303804287088
Energy: 1.2433936410046216
Energy: 1.3201303804282185
Energy: 1.243393641014918
Energy: 1.3201303804287088
Energy: 1.2433936410056021
Energy: 1.2209585840619956
Energy: 1.3078102129499964
Energy: 1.2209585840619956
Energy: 1.3078102129539189
Energy: 1.220958584061015
Energy: 1.3078102129524478
Energy: 1.2209585840615054
Energy: 1.2856273077323828
Energy: 1.3567541701860777
Energy: 1.2856273077421887
Energy: 1.3567541701865682
Energy: 1.2856273077323828
Energy: 1.3567541701855874
Energy: 1.2856273077421887
Energy: 1.323860826882932
Energy: 1.3456712592221083
Energy: 1.3238608268863639
Energy: 1.3456712592245599
Energy: 1.3238608268839123
Energy: 1.3456712592225986
Energy: 1.3238608268873446
Energy: 1.2703531769763967
Energy: 1.3621441164780383
Energy: 1.270353176978358
Energy: 1.3621441164819608
Energy: 1.2703531769768872
Energy: 1.3621441164770576
Energy: 1.2703531769798293
Energy: 1.2676918087930442
Energy: 1.3510641036381208
Energy: 1.2676918087954958
Energy: 1.3510641036371402
Energy: 1.2676918087920634
Energy: 1.3510641036381208
Energy: 1.2676918087959859
Energy: 1.2464655766036141
Energy: 1.2130889539665466
Energy: 1.2464655765982204
Energy: 1.2130889539650755
Energy: 1.2464655766026334
Energy: 1.2130889539665466
Energy: 1.2464655765987107
Energy: 1.2871291144340788
Energy: 1.25370843960029
Energy: 1.2871291144370207
Energy: 1.2537084395978384
Energy: 1.28712911443555
Energy: 1.2537084396012705
Energy: 1.2871291144360402
Energy: 1.268165070879803
Energy: 1.27150184638319
Energy: 1.268165070886177
Energy: 1.2715018463841705
Energy: 1.268165070879803
Energy: 1.2715018463817191
Energy: 1.268165070886177
Energy: 1.3143010354113585
Energy: 1.367930828106478
Energy: 1.3143010354162614
Energy: 1.3679308281074585
Energy: 1.3143010354113585
Energy: 1.3679308281074585
Energy: 1.3143010354167517
Energy: 1.244485707247364
Energy: 1.2989661571473905
Energy: 1.2444857072552091
Energy: 1.2989661571478808
Energy: 1.244485707246874
Energy: 1.2989661571469002
Energy: 1.2444857072556996
Energy: 1.277394288943805
Energy: 1.352012860236239
Energy: 1.277394288938902
Energy: 1.3520128602357486
Energy: 1.277394288942334
Energy: 1.352012860236239
Energy: 1.277394288938902
Energy: 1.221495280896206
Energy: 1.2950630039401316
Energy: 1.221495280888361
Energy: 1.2950630039430735
Energy: 1.221495280896206
Energy: 1.2950630039396414
Energy: 1.2214952808888515
Energy: 1.3944127876480201
Energy: 1.32363280545161
Energy: 1.3944127876543946
Energy: 1.3236328054525908
Energy: 1.3944127876499814
Energy: 1.32363280545161
Energy: 1.394412787655375
Energy: 1.242668929506479
Energy: 1.285546953385808
Energy: 1.2426689295074598
Energy: 1.2855469533804145
Energy: 1.2426689295074598
Energy: 1.2855469533862982
Energy: 1.2426689295074598
Energy: 1.3776618016956244
Energy: 1.3891979886519528
Energy: 1.3776618017009732
Energy: 1.389197988649011
Energy: 1.3776618016966051
Energy: 1.3891979886519528
Energy: 1.3776618017014637
Energy: 1.3287912653847576
Energy: 1.2745040657431028
Energy: 1.3287912653862286
Energy: 1.2745040657450195
Energy: 1.3287912653842673
Energy: 1.2745040657440834
Energy: 1.3287912653876994
Energy: 1.2820445789212633
Energy: 1.2358291837480089
Energy: 1.2820445789202828
Energy: 1.235829183751441
Energy: 1.2820445789212633
Energy: 1.2358291837480089
Energy: 1.2820445789197925
Energy: 1.265030041729334
Energy: 1.2456858150704648
Energy: 1.2650300417298244
Energy: 1.2456858150748777
Energy: 1.2650300417288438
Energy: 1.2456858150709553
Energy: 1.2650300417303149
Energy: 1.256839379431146
Energy: 1.3360677583695042
Energy: 1.2568393794365396
Energy: 1.3360677583778393
Energy: 1.2568393794316366
Energy: 1.3360677583699945
Energy: 1.2568393794360493
Energy: 1.237394520036259
Energy: 1.339960678883089
Energy: 1.2373945200352785
Energy: 1.3399606788870113
Energy: 1.2373945200372396
Energy: 1.3399606788825984
Energy: 1.2373945200352785
Energy: 1.3057347267578827
Energy: 1.3406616021078603
Energy: 1.3057347267544503
Energy: 1.340661602110312
Energy: 1.3057347267573922
Energy: 1.340661602108841
Energy: 1.3057347267544503
Energy: 1.3522410641213667
Energy: 1.3921719606373706
Energy: 1.35224106412676
Energy: 1.392171960638351
Energy: 1.3522410641213667
Energy: 1.3921719606393317
Energy: 1.3522410641257794
Energy: 1.218057660166321
Energy: 1.3238461062232543
Energy: 1.2180576601638697
Energy: 1.3238461062266864
Energy: 1.218057660166321
Energy: 1.3238461062227638
Energy: 1.218057660162889
Energy: 1.3873308540094593
Energy: 1.3443039775628653
Energy: 1.387330854007498
Energy: 1.3443039775628653
Energy: 1.387330854008969
Energy: 1.3443039775618848
Energy: 1.3873308540065175
Energy: 1.243134205049221
Energy: 1.253687526896822
Energy: 1.2431342050413758
Energy: 1.2536875268978025
Energy: 1.2431342050477499
Energy: 1.253687526897312
Energy: 1.2431342050413758
Energy: 1.3259998945127691
Energy: 1.4081751166873417
Energy: 1.3259998945147304
Energy: 1.4081751166932253
Energy: 1.3259998945127691
Energy: 1.4081751166878318
Energy: 1.3259998945147304
Energy: 1.2993537764703502
Energy: 1.4094059793295495
Energy: 1.299353776465447
Energy: 1.4094059793266076
Energy: 1.2993537764703502
Energy: 1.4094059793295495
Energy: 1.299353776465447
Energy: 1.3026969659218621
Energy: 1.2641399767609314
Energy: 1.3026969659223524
Energy: 1.264139976771228
Energy: 1.3026969659218621
Energy: 1.264139976760441
Energy: 1.3026969659243137
Energy: 1.243150627759033
Energy: 1.2506432052540948
Energy: 1.243150627765407
Energy: 1.2506432052545853
Energy: 1.2431506277595232
Energy: 1.2506432052536047
Energy: 1.2431506277658972
Energy: 1.217236629173776
Energy: 1.3264377238615945
Energy: 1.2172366291762273
Energy: 1.3264377238640461
Energy: 1.217236629174266
Energy: 1.3264377238611043
Energy: 1.2172366291757373
Energy: 1.219918304651567
Energy: 1.358159651358062
Energy: 1.2199183046594118
Energy: 1.35815965135463
Energy: 1.2199183046467084
Energy: 1.3581596513590426
Energy: 1.219918304662844
Energy: 1.3287719202068462
Energy: 1.3424664332355678
Energy: 1.328771920204885
Energy: 1.3424664332365484
Energy: 1.3287719202058657
Energy: 1.342466433234587
Energy: 1.3287719202043948
Energy: 1.2797371165548552
Energy: 1.3582661712333144
Energy: 1.2797371165509326
Energy: 1.3582661712279656
Energy: 1.2797371165553453
Energy: 1.3582661712333144
Energy: 1.2797371165514229
Energy: 1.2659374742345584
Energy: 1.3440879869473163
Energy: 1.265937474232597
Energy: 1.3440879869478068
Energy: 1.265937474234068
Energy: 1.3440879869458455
Energy: 1.2659374742321068
Energy: 1.3189765786886696
Energy: 1.3227010474153165
Energy: 1.318976578687689
Energy: 1.322701047422671
Energy: 1.3189765786881793
Energy: 1.3227010474153165
Energy: 1.3189765786886696
Energy: 1.2345041362720661
Energy: 1.2101817878896328
Energy: 1.2345041362671627
Energy: 1.2101817878984582
Energy: 1.2345041362715756
Energy: 1.2101817878891423
Energy: 1.2345041362681435
Energy: 1.3851870043436552
Energy: 1.2689334744699934
Energy: 1.3851870043397327
Energy: 1.2689334744690128
Energy: 1.385187004341694
Energy: 1.268933474469503
Energy: 1.3851870043598355
Energy: 1.2681003746750779
Energy: 1.2777199988101415
Energy: 1.2681003746804713
Energy: 1.2777199988111219
Energy: 1.2681003746745876
Energy: 1.2777199988111219
Energy: 1.2681003746809616
Energy: 1.3271825161336215
Energy: 1.3826085991890422
Energy: 1.327182516136073
Energy: 1.382608599190023
Energy: 1.3271825161341118
Energy: 1.382608599188552
Energy: 1.327182516136073
Energy: 1.244789389440956
Energy: 1.3085284717188477
Energy: 1.244789389450272
Energy: 1.3085284717149697
Energy: 1.2447893894419366
Energy: 1.308528471717867
Energy: 1.244789389450272
Energy: 1.2328567274250328
Energy: 1.3089130315532767
Energy: 1.2328567274211104
Energy: 1.3089130315576896
Energy: 1.232856727423562
Energy: 1.3089130315522959
Energy: 1.2328567274211104
Energy: 1.2242374903266806
Energy: 1.3045069478811686
Energy: 1.2242374903296223
Energy: 1.304506947886562
Energy: 1.2242374903276612
Energy: 1.304506947881659
Energy: 1.2242374903291322
Energy: 1.2651008889710793
Energy: 1.30368267933478
Energy: 1.2651008889686277
Energy: 1.3036826793342897
Energy: 1.2651008889715696
Energy: 1.3036826793342897
Energy: 1.2651008889681374

minimum gb energy = 1.2101817878891423 eV
minimum distance =  2.25103311383072 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.4257589536189035
Energy: 1.3906618241716076
Energy: 1.3440222905416466
Energy: 1.3906618241693811
Energy: 1.4257589536227995
Energy: 1.3906618241710509
Energy: 1.3440222905422032
Energy: 1.3258800235243045
Energy: 1.3234182127413696
Energy: 1.2702953481250647
Energy: 1.3138340811991047
Energy: 1.3258800235170696
Energy: 1.323418212745822
Energy: 1.2702953481256212
Energy: 1.266559885458509
Energy: 1.3060418498950386
Energy: 1.2665150149420608
Energy: 1.3055041021760463
Energy: 1.2665598854590654
Energy: 1.3060418498950386
Energy: 1.2665150149453495
Energy: 1.2831144474837868
Energy: 1.3999470110493915
Energy: 1.2831144474882392
Energy: 1.3946736474590373
Energy: 1.2831144474893523
Energy: 1.3999470110421564
Energy: 1.283114447489909
Energy: 1.2757619149048538
Energy: 1.377228150864913
Energy: 1.275761914908193
Energy: 1.377197533219989
Energy: 1.2757619149115322
Energy: 1.3772281508593474
Energy: 1.275761914904297
Energy: 1.3543631608808
Energy: 1.4096088334884564
Energy: 1.3543631608730082
Energy: 1.409608833490126
Energy: 1.3543631608702256
Energy: 1.4096088334984747
Energy: 1.3543631608752345
Energy: 1.3506190377038412
Energy: 1.409319418533295
Energy: 1.3506190377049543
Energy: 1.4093194185299556
Energy: 1.3506190377066238
Energy: 1.409319418527173
Energy: 1.3506190377105198
Energy: 1.3510029114424924
Energy: 1.409533091820952
Energy: 1.3506313881808654
Energy: 1.4092091669105595
Energy: 1.3510029114363704
Energy: 1.409533091820952
Energy: 1.3506313881669516
Energy: 1.3384597032876977
Energy: 1.409448438416551
Energy: 1.3389977699248319
Energy: 1.4095152485548903
Energy: 1.3384597032888108
Energy: 1.4094484384176642
Energy: 1.3389977699253883
Energy: 1.2755783971804837
Energy: 1.3771793178585683
Energy: 1.2755760378462337
Energy: 1.3771793178557854
Energy: 1.275578397167683
Energy: 1.377179317860238
Energy: 1.2755760378501295
Energy: 1.3045474506092376
Energy: 1.4051678872442912
Energy: 1.3045460760071514
Energy: 1.405167887247074
Energy: 1.3045474506125772
Energy: 1.4051678872415085
Energy: 1.3045460760088212
Energy: 1.2645294606293098
Energy: 1.3054115425526778
Energy: 1.2645294606248574
Energy: 1.3054115425543473
Energy: 1.2645294606309796
Energy: 1.3054115425543473
Energy: 1.2645294606315363
Energy: 1.271996784234149
Energy: 1.3062423644496493
Energy: 1.27199678423081
Energy: 1.3062423644457533
Energy: 1.2719967842330362
Energy: 1.306242364441301
Energy: 1.2719967842263573
Energy: 1.3440222905444292
Energy: 1.3906618241738335
Energy: 1.3440222905416466
Energy: 1.3906618241727207
Energy: 1.344022290546099
Energy: 1.3906618241755033
Energy: 1.3440222905405337
Energy: 1.2702953481339694
Energy: 1.3150297879374528
Energy: 1.2702953481289605
Energy: 1.3153425788797932
Energy: 1.270295348128404
Energy: 1.3150297879346702
Energy: 1.2702953481261776
Energy: 1.266466562543645
Energy: 1.30620124827032
Energy: 1.2664666127579793
Energy: 1.3058877437868566
Energy: 1.2664665625375229
Energy: 1.306201248274216
Energy: 1.2664666127579793
Energy: 1.2831144474849001
Energy: 1.378110715850909
Energy: 1.2831144474854563
Energy: 1.3781671047624013
Energy: 1.2831144474887959
Energy: 1.3781107158408912
Energy: 1.2831144474904657
Energy: 1.27576191490541
Energy: 1.3772111048450522
Energy: 1.2757619149076365
Energy: 1.3772118850120763
Energy: 1.2757619149137585
Energy: 1.377211104843939
Energy: 1.2757619149065234
Energy: 1.354363160884139
Energy: 1.4096088334906829
Energy: 1.354363160879687
Energy: 1.4096088334912393
Energy: 1.3543631608741213
Energy: 1.4096088335007007
Energy: 1.3543631608808
Energy: 1.3506190377055107
Energy: 1.4093194185349647
Energy: 1.3506190377055107
Energy: 1.4093194185327385
Energy: 1.3506190377043976
Energy: 1.4093194185316251
Energy: 1.3506190377082936
Energy: 1.3476309482581312
Energy: 1.4102692799346745
Energy: 1.3455310665450886
Energy: 1.4101139049936506
Energy: 1.3476309482475568
Energy: 1.41026927994024
Energy: 1.3455310665467586
Energy: 1.3387949104020054
Energy: 1.4095181983098908
Energy: 1.3460203534176551
Energy: 1.4095590237774074
Energy: 1.3387949103908745
Energy: 1.409518198304882
Energy: 1.3460203534170985
Energy: 1.2759505703852814
Energy: 1.3771793178585683
Energy: 1.27542657792663
Energy: 1.3771793178557854
Energy: 1.2759505703908471
Energy: 1.3771793178607945
Energy: 1.2754265779305258
Energy: 1.2926467444432006
Energy: 1.405167887247074
Energy: 1.2916157400813824
Energy: 1.4051678872465176
Energy: 1.292646744445427
Energy: 1.4051678872437345
Energy: 1.2916157400897308
Energy: 1.2645294606281967
Energy: 1.3054115425526778
Energy: 1.2645294606248574
Energy: 1.3054115425543473
Energy: 1.264529460634319
Energy: 1.3054115425537909
Energy: 1.2645294606315363
Energy: 1.3347084705081573
Energy: 1.306242364450206
Energy: 1.27199678423081
Energy: 1.3062423644468664
Energy: 1.334708470515949
Energy: 1.306242364441301
Energy: 1.271996784228027
Energy: 1.42575895361946
Energy: 1.3906618241738335
Energy: 1.3440222905416466
Energy: 1.3906618241704942
Energy: 1.4257589536227995
Energy: 1.3906618241727207
Energy: 1.3440222905410901
Energy: 1.3258800235248613
Energy: 1.3234182127430392
Energy: 1.270295348124508
Energy: 1.3138340812853198
Energy: 1.325880023516513
Energy: 1.3234182127391432
Energy: 1.270295348124508
Energy: 1.2665598854601787
Energy: 1.306041849894482
Energy: 1.2665150149431736
Energy: 1.3055041021771596
Energy: 1.2665598854612918
Energy: 1.3060418498928121
Energy: 1.2665150149447928
Energy: 1.2831144474810041
Energy: 1.399947011047722
Energy: 1.2831144474860132
Energy: 1.3946736474601507
Energy: 1.2831144474843434
Energy: 1.3999470110415997
Energy: 1.2831144474876828
Energy: 1.2757619149070798
Energy: 1.377228150864913
Energy: 1.2757619149076365
Energy: 1.3771975332216586
Energy: 1.2757619149115322
Energy: 1.3772281508593474
Energy: 1.2757619149048538
Energy: 1.354363160881913
Energy: 1.4096088334895698
Energy: 1.3543631608752345
Energy: 1.4096088334923524
Energy: 1.3543631608718951
Energy: 1.4096088334984747
Energy: 1.3543631608741213
Energy: 1.3506190377088503
Energy: 1.4093194185338516
Energy: 1.3506190377060672
Energy: 1.409319418531069
Energy: 1.3506190377088503
Energy: 1.4093194185293991
Energy: 1.3506190377121894
Energy: 1.3510029114358137
Energy: 1.4095330918192825
Energy: 1.3506313881769696
Energy: 1.4092091669077769
Energy: 1.3510029114369269
Energy: 1.4095330918192825
Energy: 1.350631388171404
Energy: 1.3384597032904806
Energy: 1.4094484384137684
Energy: 1.3389977699248319
Energy: 1.4095152485548903
Energy: 1.3384597032921501
Energy: 1.4094484384132118
Energy: 1.3389977699253883
Energy: 1.2755783971782577
Energy: 1.3771793178557854
Energy: 1.275576037844564
Energy: 1.3771793178535594
Energy: 1.2755783971682395
Energy: 1.3771793178580116
Energy: 1.2755760378540255
Energy: 1.3045474506142467
Energy: 1.4051678872481872
Energy: 1.3045460760082646
Energy: 1.4051678872498568
Energy: 1.3045474506159163
Energy: 1.4051678872454043
Energy: 1.3045460760077079
Energy: 1.2645294606265272
Energy: 1.3054115425504513
Energy: 1.2645294606248574
Energy: 1.3054115425537909
Energy: 1.2645294606309796
Energy: 1.3054115425537909
Energy: 1.2645294606309796
Energy: 1.2719967842363755
Energy: 1.3062423644468664
Energy: 1.2719967842324795
Energy: 1.3062423644457533
Energy: 1.271996784234706
Energy: 1.3062423644407444
Energy: 1.2719967842296969
Energy: 1.3440222905433163
Energy: 1.3906618241738335
Energy: 1.3440222905416466
Energy: 1.3906618241716076
Energy: 1.3440222905449861
Energy: 1.3906618241743902
Energy: 1.3440222905422032
Energy: 1.2702953481328565
Energy: 1.3150297879185302
Energy: 1.270295348127291
Energy: 1.315342578882576
Energy: 1.2702953481250647
Energy: 1.3150297879196433
Energy: 1.2702953481250647

minimum gb energy = 1.2645294606248574 eV
minimum distance =  2.26785659769578 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.2822417579159293
Energy: 1.33970635496914
Energy: 1.2822417579159293
Energy: 1.339706354968497
Energy: 1.2822417579165721
Energy: 1.3397063549697823
Energy: 1.2822417579146441
Energy: 1.2826640870852306
Energy: 1.27337532777629
Energy: 1.2826640870852306
Energy: 1.2733753277750341
Energy: 1.2826640870845878
Energy: 1.2733753277731061
Energy: 1.2826640870852306
Energy: 1.2066981311394727
Energy: 1.2620487477328879
Energy: 1.2066981311375449
Energy: 1.2620487477316025
Energy: 1.2066981311381875
Energy: 1.262048747732245
Energy: 1.2066981311394727
Energy: 1.395215929693295
Energy: 1.3800886690713015
Energy: 1.3952159295513276
Energy: 1.380088669068088
Energy: 1.3952159296309872
Energy: 1.3800886690668026
Energy: 1.3952159294864492
Energy: 1.344172646510196
Energy: 1.427698754871603
Energy: 1.3441726465089106
Energy: 1.427698754872888
Energy: 1.344172646508297
Energy: 1.427698754872888
Energy: 1.3441726465108386
Energy: 1.2932912209421081
Energy: 1.4319715506153161
Energy: 1.2932912209402092
Energy: 1.4319715506153161
Energy: 1.2932912209427507
Energy: 1.4319715506191721
Energy: 1.2932912209402092
Energy: 1.3083050760382164
Energy: 1.4318372971416282
Energy: 1.308305076036931
Energy: 1.431837297178902
Energy: 1.308305076035003
Energy: 1.4318372971416282
Energy: 1.308305076036931
Energy: 1.3923615620991137
Energy: 1.3901202704596245
Energy: 1.3923615620971859
Energy: 1.3901202704576967
Energy: 1.3923615620952579
Energy: 1.3901202704583393
Energy: 1.3923615620978287
Energy: 1.3403801857316318
Energy: 1.3916541706922239
Energy: 1.340380185732917
Energy: 1.3916541706909387
Energy: 1.3403801857361302
Energy: 1.3916541706915813
Energy: 1.3403801857335595
Energy: 1.1956124899935994
Energy: 1.335482639562293
Energy: 1.1956124899961698
Energy: 1.3354826395610075
Energy: 1.1956124899948846
Energy: 1.3354826395590798
Energy: 1.1956124899955272
Energy: 1.2105672901614686
Energy: 1.3405023558463722
Energy: 1.210567290160826
Energy: 1.3405023558476574
Energy: 1.2105672901595408
Energy: 1.3405023558457296
Energy: 1.2105672901614686
Energy: 1.4185259206410108
Energy: 1.3920310369488638
Energy: 1.4185259206377976
Energy: 1.3920310369482212
Energy: 1.4185259206377976
Energy: 1.3920310369488638
Energy: 1.4185259206397256
Energy: 1.3590119831581229
Energy: 1.3681775429272447
Energy: 1.3590119831574803
Energy: 1.3681775429285299
Energy: 1.3590119831581229
Energy: 1.368177542926602
Energy: 1.3590119831587655
Energy: 1.2858055211551398
Energy: 1.338777689552025
Energy: 1.2858055211519264
Energy: 1.338777689551382
Energy: 1.2858055211538544
Energy: 1.338777689551382
Energy: 1.2858055211570676
Energy: 1.3502839118971313
Energy: 1.4299992938421695
Energy: 1.3502839118997019
Energy: 1.4299992938434547
Energy: 1.3502839118997019
Energy: 1.4299992938415267
Energy: 1.350283911899059
Energy: 1.281760021152321
Energy: 1.3888313990287044
Energy: 1.2817600211529636
Energy: 1.3888313990287044
Energy: 1.281760021150393
Energy: 1.3888313990299899
Energy: 1.2817600211516782
Energy: 1.2357600123436598
Energy: 1.2794682405547102
Energy: 1.235760012341732
Energy: 1.2794682405572806
Energy: 1.2357600123436598
Energy: 1.2794682405559952
Energy: 1.2357600123443024
Energy: 1.216567177103291
Energy: 1.2617023866487336
Energy: 1.216567177102006
Energy: 1.2617023866487336
Energy: 1.2165671771007205
Energy: 1.2617023866474482
Energy: 1.2165671771026485
Energy: 1.4604952042025967
Energy: 1.4332836670746774
Energy: 1.460495204203882
Energy: 1.4332836670740348
Energy: 1.4084267003179234
Energy: 1.4332836670721067
Energy: 1.460495204203882
Energy: 1.3456470376232423
Energy: 1.3988860697565026
Energy: 1.3456470376251704
Energy: 1.398886069757788
Energy: 1.3456470376213145
Energy: 1.3988860697584307
Energy: 1.3456470376219571
Energy: 1.3123102621913278
Energy: 1.3120384357827166
Energy: 1.3123102621893998
Energy: 1.3120384357833592
Energy: 1.312310262192613
Energy: 1.312038435784002
Energy: 1.3123102621913278
Energy: 1.3244598542302601
Energy: 1.377376057316697
Energy: 1.3244598542424413
Energy: 1.377376057314769
Energy: 1.3244598542084098
Energy: 1.377376057314769
Energy: 1.3244598542366866
Energy: 1.3828416755008528
Energy: 1.3461148027682974
Energy: 1.3828416755014954
Energy: 1.3461148027676546
Energy: 1.3828416755002102
Energy: 1.3461148027695824
Energy: 1.3828416754995674
Energy: 1.3464861593466388
Energy: 1.38118018878387
Energy: 1.3464861593440682
Energy: 1.38118018878387
Energy: 1.3464861593440682
Energy: 1.381180188781942
Energy: 1.3464861593459962
Energy: 1.2063981042658838
Energy: 1.3285580492889097
Energy: 1.2063981042658838
Energy: 1.328558049290195
Energy: 1.2063981042658838
Energy: 1.3285580492882672
Energy: 1.206398104265241
Energy: 1.3222565833795947
Energy: 1.4014617216787058
Energy: 1.3222565833795947
Energy: 1.4014617555282047
Energy: 1.322256583378952
Energy: 1.4014617063987638
Energy: 1.322256583378952
Energy: 1.3794556086535308
Energy: 1.3896083508825985
Energy: 1.3794556086522454
Energy: 1.3896083508800279
Energy: 1.3794556086496748
Energy: 1.389608350879385
Energy: 1.3794556086516028
Energy: 1.3732861843663617
Energy: 1.4301609822151766
Energy: 1.3732861843689323
Energy: 1.430160982216462
Energy: 1.3732861843682898
Energy: 1.430160982216462
Energy: 1.3732861843657191
Energy: 1.3111527571327526
Energy: 1.3120132393984576
Energy: 1.3111527571321098
Energy: 1.3120132393997428
Energy: 1.3111527571308246
Energy: 1.312013239401028
Energy: 1.3111527571314672
Energy: 1.346479382975822
Energy: 1.4298957168873625
Energy: 1.346479382975822
Energy: 1.4298957168873625
Energy: 1.34647938297775
Energy: 1.429895716888005
Energy: 1.3464793829745367
Energy: 1.3270223194124686
Energy: 1.3904768054014771
Energy: 1.3270223194124686
Energy: 1.3904768054046903
Energy: 1.3270223194124686
Energy: 1.3904768054014771
Energy: 1.3270223194124686
Energy: 1.1968510633529295
Energy: 1.3283492796628191
Energy: 1.1968510633490734
Energy: 1.328349279660891
Energy: 1.1968510633490734
Energy: 1.3283492796615337
Energy: 1.1968510633497162
Energy: 1.223439918472968
Energy: 1.2339007518746146
Energy: 1.2234399184710403
Energy: 1.2339007518733294
Energy: 1.2234399184716829
Energy: 1.2339007518714014
Energy: 1.223439918472968
Energy: 1.4070583056013182
Energy: 1.4238889804558952
Energy: 1.4070583056026034
Energy: 1.4238889804552524
Energy: 1.4070583056006756
Energy: 1.4238889804552524
Energy: 1.4070583056038888
Energy: 1.3455121642620944
Energy: 1.4512118727309162
Energy: 1.345512164261452
Energy: 1.4512118727289882
Energy: 1.3455121642620944
Energy: 1.4512118727315588
Energy: 1.3455121642633796
Energy: 1.2806320177736552
Energy: 1.3441988642364102
Energy: 1.280632017775583
Energy: 1.3441988642364102
Energy: 1.280632017775583
Energy: 1.3441988642357674
Energy: 1.2806320177742978

minimum gb energy = 1.1956124899935994 eV
minimum distance =  2.19670951184687 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.2903992589067628
Energy: 1.4236742635405968
Energy: 1.2903992589082798
Energy: 1.4236742635413553
Energy: 1.2903992589082798
Energy: 1.4236742635443889
Energy: 1.2903992589075215
Energy: 1.3311631790014002
Energy: 1.1957134545436037
Energy: 1.3311631790051928
Energy: 1.1957134545481543
Energy: 1.3311631790044343
Energy: 1.1957134545451202
Energy: 1.3311631790021587
Energy: 1.2652635820688871
Energy: 1.222477323245482
Energy: 1.2652635820696456
Energy: 1.2224773232432065
Energy: 1.2652635820696456
Energy: 1.2224773232439647
Energy: 1.2652635820681286
Energy: 1.4137146010504889
Energy: 1.2031159995813043
Energy: 1.4137146010489718
Energy: 1.203115999582063
Energy: 1.4137146010451798
Energy: 1.2031159995813043
Energy: 1.4137146010497306
Energy: 1.3239719666488365
Energy: 1.1953536643636977
Energy: 1.3239719666511118
Energy: 1.1953536643667317
Energy: 1.3239719666442857
Energy: 1.1953536643644564
Energy: 1.3239719666465612
Energy: 1.340905125557778
Energy: 1.280926382163969
Energy: 1.3409051255888744
Energy: 1.2809263821616936
Energy: 1.340905125596459
Energy: 1.2809263821594181
Energy: 1.3409051255919082
Energy: 1.3355776569298765
Energy: 1.3379870192534469
Energy: 1.3638997600182317
Energy: 1.3379870192557222
Energy: 1.3355776569283597
Energy: 1.3379870192587213
Energy: 1.363899760015198
Energy: 1.3479301820309395
Energy: 1.3244066235558896
Energy: 1.3479301820309395
Energy: 1.3244066235611986
Energy: 1.347930182026389
Energy: 1.3244066235611986
Energy: 1.3479301820362486
Energy: 1.4498262378084874
Energy: 1.3149092286196484
Energy: 1.4498262378069706
Energy: 1.3149092286204067
Energy: 1.4498262378039366
Energy: 1.3149092286173731
Energy: 1.449826237809246
Energy: 1.2868743354776528
Energy: 1.4310103917708175
Energy: 1.2868743354799281
Energy: 1.4310103917700592
Energy: 1.2868743354776528
Energy: 1.4310103917708175
Energy: 1.286874335476136
Energy: 1.3284739632925364
Energy: 1.3059364089114978
Energy: 1.3284739632940532
Energy: 1.3059364092951027
Energy: 1.3284739632963287
Energy: 1.3059364089728982
Energy: 1.3284739632948117
Energy: 1.2871151541780887
Energy: 1.2100769026851308
Energy: 1.2871151541773647
Energy: 1.2100769026858547
Energy: 1.2871151541705386
Energy: 1.2100769026934395
Energy: 1.28711515416978
Energy: 1.410971502176683
Energy: 1.1995352259492658
Energy: 1.4109715021721325
Energy: 1.1995352259477488
Energy: 1.4109715021721325
Energy: 1.1995352259492658
Energy: 1.4109715021728908
Energy: 1.2687635590030562
Energy: 1.2100961432021282
Energy: 1.2687635589985053
Energy: 1.210096143206679
Energy: 1.2687635590015391
Energy: 1.210096143205162
Energy: 1.2687635590015391
Energy: 1.3828911142157092
Energy: 1.363943015031878
Energy: 1.3828911142157092
Energy: 1.363943015031878
Energy: 1.382891114217226
Energy: 1.3639430150296026
Energy: 1.382891114217226
Energy: 1.269148507268146
Energy: 1.2874654946303294
Energy: 1.269148507272697
Energy: 1.2874654946318467
Energy: 1.2691485072689046
Energy: 1.2874654946288127
Energy: 1.2691485072673878
Energy: 1.4034820373970547
Energy: 1.3146919322993658
Energy: 1.4034820373947792
Energy: 1.3146919323008828
Energy: 1.4034820373970547
Energy: 1.3146919323023998
Energy: 1.40348203739933
Energy: 1.351967912449466
Energy: 1.3230544792224248
Energy: 1.3519679124517414
Energy: 1.3230544792231833
Energy: 1.3519679124524997
Energy: 1.323054479226217
Energy: 1.3519679124532582
Energy: 1.2792940240709478
Energy: 1.32945850954311
Energy: 1.2792940240701893
Energy: 1.3294585095415932
Energy: 1.2792940240709478
Energy: 1.3294585095393179
Energy: 1.2792940240679138
Energy: 1.2866723394230346
Energy: 1.4286881367724131
Energy: 1.2866723394222759
Energy: 1.4286881367701376
Energy: 1.2866723394260682
Energy: 1.4286881367754467
Energy: 1.2866723394291022
Energy: 1.3867970560140113
Energy: 1.1955339117400798
Energy: 1.386797056011736
Energy: 1.1955339117393213
Energy: 1.3867970560140113
Energy: 1.1955339117415966
Energy: 1.3867970560178038
Energy: 1.302924869512706
Energy: 1.2098426030029417
Energy: 1.3029248695134645
Energy: 1.2098426030029417
Energy: 1.302924869512706
Energy: 1.2098426029969087
Energy: 1.3029248695111892
Energy: 1.2788672344309693
Energy: 1.223093970382064
Energy: 1.278867234430211
Energy: 1.223093970382064
Energy: 1.278867234428694
Energy: 1.22309397037903
Energy: 1.2788672344279355
Energy: 1.3254413527723015
Energy: 1.1957543953164689
Energy: 1.3254413527707847
Energy: 1.1957543953149519
Energy: 1.3254413527685094
Energy: 1.1957543953141934
Energy: 1.3254413527685094
Energy: 1.3453415924454635
Energy: 1.2808165958304574
Energy: 1.345341592443188
Energy: 1.2808165958251483
Energy: 1.3453415924310526
Energy: 1.2808165958266653
Energy: 1.3453415924447047
Energy: 1.3275664757071932
Energy: 1.3377354004038948
Energy: 1.3275664757102268
Energy: 1.3377354004038948
Energy: 1.3275664757094685
Energy: 1.3377354004084456
Energy: 1.32756647570871
Energy: 1.3468189502489303
Energy: 1.3596774133812501
Energy: 1.3468189502443795
Energy: 1.3596774133751826
Energy: 1.3468189502443795
Energy: 1.3596774133751826
Energy: 1.3468189502481718
Energy: 1.3310829000219204
Energy: 1.3145791466081576
Energy: 1.331082900022679
Energy: 1.3145791466111914
Energy: 1.3310829000241957
Energy: 1.314579146610433
Energy: 1.3310829000219204
Energy: 1.2903992589082798
Energy: 1.4236742635413553
Energy: 1.2903992589067628
Energy: 1.4236742635421136
Energy: 1.2903992589067628
Energy: 1.4236742635451474
Energy: 1.2903992589060043
Energy: 1.3311631790021587
Energy: 1.195713454544362
Energy: 1.3311631790036758
Energy: 1.195713454549671
Energy: 1.3311631790051928
Energy: 1.195713454544362
Energy: 1.3311631790029175

minimum gb energy = 1.1953536643636977 eV
minimum distance =  2.21243067347017 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.3322036888059907
Energy: 1.3757984140311044
Energy: 1.3322036888059907
Energy: 1.3757984140338664
Energy: 1.3322036888059907
Energy: 1.3757984140301838
Energy: 1.3322036888059907
Energy: 1.2168327881646646
Energy: 1.1795338049838513
Energy: 1.2168327881674268
Energy: 1.1795338049838513
Energy: 1.2168327881655854
Energy: 1.1795338049838513
Energy: 1.2168327881674268
Energy: 1.3996028497552915
Energy: 1.24296470750963
Energy: 1.3996028497552915
Energy: 1.24296470750963
Energy: 1.3996028497552915
Energy: 1.2429647075105505
Energy: 1.3996028497562123
Energy: 1.2115313191724348
Energy: 1.181772970515925
Energy: 1.211531319171514
Energy: 1.1817729705168458
Energy: 1.2115313191724348
Energy: 1.181772970515925
Energy: 1.2115313191724348
Energy: 1.14468357082703
Energy: 1.1814532988088147
Energy: 1.1446835708288716
Energy: 1.1814532988124975
Energy: 1.14468357082703
Energy: 1.181453298806973
Energy: 1.1446835708297924
Energy: 1.147946039892962
Energy: 1.1956912366561205
Energy: 1.1479460398938826
Energy: 1.1956912366561205
Energy: 1.1479460398920414
Energy: 1.1956912366561205
Energy: 1.1479460398938826
Energy: 1.161465636757742
Energy: 1.2412630387048547
Energy: 1.1614656367586629
Energy: 1.241263038703934
Energy: 1.1614656367586629
Energy: 1.2412630387048547
Energy: 1.1614656367586629
Energy: 1.1498102435419022
Energy: 1.170940581344503
Energy: 1.1498102435446644
Energy: 1.1709405813426617
Energy: 1.1498102435428228
Energy: 1.170940581344503
Energy: 1.1498102435437436
Energy: 1.2009213803843357
Energy: 1.170291230715644
Energy: 1.2009213803834151
Energy: 1.170291230715644
Energy: 1.2009213803843357
Energy: 1.1702912307147233
Energy: 1.2009213803834151
Energy: 1.1613652323062915
Energy: 1.2411805514030905
Energy: 1.1613652323062915
Energy: 1.2411805514030905
Energy: 1.1613652323072123
Energy: 1.2411805513920628
Energy: 1.1613652323062915
Energy: 1.147942443836445
Energy: 1.180751162609982
Energy: 1.147942443836445
Energy: 1.180751162609982
Energy: 1.1479424438373655
Energy: 1.1807511626109024
Energy: 1.147942443836445
Energy: 1.1500208285246438
Energy: 1.2198800651540593
Energy: 1.1500208285255646
Energy: 1.2198800651549802
Energy: 1.1500208285246438
Energy: 1.2198800651540593
Energy: 1.1500208285246438
Energy: 1.1908680232822897
Energy: 1.1719960778126324
Energy: 1.1908680232832103
Energy: 1.1719960778135532
Energy: 1.1908680232832103
Energy: 1.1719960778126324
Energy: 1.1908680232832103
Energy: 1.2517051251391202
Energy: 1.2611845361735017
Energy: 1.2517051251381996
Energy: 1.2611845361716598
Energy: 1.2517051251400408
Energy: 1.261184536174422
Energy: 1.2517051251381996
Energy: 1.213767985541212
Energy: 1.181010466714369
Energy: 1.2137679855430534
Energy: 1.1810104667125276
Energy: 1.213767985541212
Energy: 1.1810104667134482
Energy: 1.2137679855430534
Energy: 1.32369125140007
Energy: 1.2919996297659604
Energy: 1.3236912514019112
Energy: 1.2919996297650393
Energy: 1.32369125140007
Energy: 1.2919996297659604
Energy: 1.3236912514019112
Energy: 1.2300566195345284
Energy: 1.1785880717514015
Energy: 1.230056619535449
Energy: 1.1785880717504806
Energy: 1.2300566195345284
Energy: 1.1785880717504806
Energy: 1.230056619535449
Energy: 1.251669137075701
Energy: 1.2610951082614497
Energy: 1.2516691370775423
Energy: 1.2610951082614497
Energy: 1.2516691370766218
Energy: 1.2610951082623705
Energy: 1.2516691370766218
Energy: 1.2394842990014017
Energy: 1.180693183595726
Energy: 1.2394842990014017
Energy: 1.1806931835975674
Energy: 1.2394842990014017
Energy: 1.180693183595726
Energy: 1.2394842990014017
Energy: 1.1505795482951973
Energy: 1.1821269455982308
Energy: 1.1505795482951973
Energy: 1.18212694559731
Energy: 1.1505795482951973
Energy: 1.18212694559731
Energy: 1.1505795482942764
Energy: 1.188554050506018
Energy: 1.2661128936050288
Energy: 1.188554050506018
Energy: 1.2661128936059496
Energy: 1.1885540505069387
Energy: 1.266112893604108
Energy: 1.188554050506018
Energy: 1.1483331752268635
Energy: 1.2412110498310687
Energy: 1.1483331752268635
Energy: 1.2412110498310687
Energy: 1.148333175227784
Energy: 1.2412110498310687
Energy: 1.1483331752268635
Energy: 1.2210905986600897
Energy: 1.1818649394045895
Energy: 1.2210905986619311
Energy: 1.1818649394055103
Energy: 1.2210905986610103
Energy: 1.1818649394036684
Energy: 1.2210905986619311
Energy: 1.1914924055988614
Energy: 1.1820744274981494
Energy: 1.1914924055997822
Energy: 1.1820744274972286
Energy: 1.1914924055988614
Energy: 1.1820744274981494
Energy: 1.1914924055997822
Energy: 1.1836818974908068
Energy: 1.235907611893147
Energy: 1.1836818974908068
Energy: 1.235907611893147
Energy: 1.1836818974908068
Energy: 1.235907611893147
Energy: 1.1836818974908068

minimum gb energy = 1.14468357082703 eV
minimum distance =  2.27244701500599 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.127321734071747
Energy: 1.174599079617114
Energy: 1.1273217340727748
Energy: 1.1745990796176282
Energy: 1.127321734069178
Energy: 1.174599079614031
Energy: 1.127321734072261
Energy: 1.0917192434964893
Energy: 1.0351755009063435
Energy: 1.0917192434964893
Energy: 1.0351755009032602
Energy: 1.0917192434970033
Energy: 1.0351755009063435
Energy: 1.0917192434959755
Energy: 1.1000505452937444
Energy: 1.0689408444458925
Energy: 1.1000505453004246
Energy: 1.0689408444428092
Energy: 1.1000505452957998
Energy: 1.0689408444453787
Energy: 1.1000505453004246
Energy: 1.0438562204514052
Energy: 1.0458526840650408
Energy: 1.0438562204442579
Energy: 1.0458526840634994
Energy: 1.0438562204508914
Energy: 1.0458526840655549
Energy: 1.0438562204432305
Energy: 1.0657433613562224
Energy: 1.0976717379419418
Energy: 1.0657433613557081
Energy: 1.097671737941428
Energy: 1.0657433613572498
Energy: 1.0976717379409142
Energy: 1.0657433613547271
Energy: 1.028108740621387
Energy: 1.0326841139967982
Energy: 1.02810874062447
Energy: 1.0326841139911456
Energy: 1.028108740621387
Energy: 1.0326841139967982
Energy: 1.028108740624984
Energy: 1.0539905318703573
Energy: 1.0568226632354494
Energy: 1.0539905318754959
Energy: 1.0568226632318523
Energy: 1.0539905318703573
Energy: 1.0568226632344213
Energy: 1.0539905318754959
Energy: 1.0421122324775383
Energy: 1.0110550849889164
Energy: 1.0421122324775383
Energy: 1.0110550849904578
Energy: 1.042112232478052
Energy: 1.0110550849889164
Energy: 1.042112232478052
Energy: 1.0269652142185537
Energy: 1.0427244695417641
Energy: 1.026965214225234
Energy: 1.0427244695402227
Energy: 1.026965214209304
Energy: 1.0427244695402227
Energy: 1.0269652142200951
Energy: 1.0254043534233348
Energy: 0.9922914325661115
Energy: 1.0254043534192239
Energy: 0.9922914325635421
Energy: 1.0254043534233348
Energy: 0.9922914325650837
Energy: 1.025404353419738
Energy: 1.0284765962774822
Energy: 1.0116943627590553
Energy: 1.0284765962795375
Energy: 1.0116943627544304
Energy: 1.0284765962774822
Energy: 1.0116943627590553
Energy: 1.0284765962785096
Energy: 1.0195973116910018
Energy: 1.0318188286986592
Energy: 1.0195973116848356
Energy: 1.0318188287002008
Energy: 1.0195973116889463
Energy: 1.0318188286996868
Energy: 1.0195973116879187
Energy: 0.9718412014885629
Energy: 1.0599502294923164
Energy: 0.9718412014890768
Energy: 1.0599502294856362
Energy: 0.9718412014880491
Energy: 1.0599502294923164
Energy: 0.9718412014890768
Energy: 1.0344738916281782
Energy: 0.9921225285108456
Energy: 1.0344738916266365
Energy: 0.9921225285098179
Energy: 1.0344738916281782
Energy: 0.9921225285108456
Energy: 1.0344738916266365
Energy: 1.0119671251674365
Energy: 0.9981552877988796
Energy: 1.0119671251720612
Energy: 0.9981552878004213
Energy: 1.011967125168464
Energy: 0.9981552877983658
Energy: 1.011967125172575
Energy: 1.0011521278685676
Energy: 1.032835208126355
Energy: 1.00115212786754
Energy: 1.032835208129952
Energy: 1.001152127866512
Energy: 1.0328352081248136
Energy: 1.001152127867026
Energy: 0.9742584802968607
Energy: 0.9853146626437465
Energy: 0.9742584802937775
Energy: 0.9853146626401494
Energy: 0.9742584802984023
Energy: 0.9853146626463158
Energy: 0.9742584802968607
Energy: 1.0233353067589508
Energy: 1.0099009105995713
Energy: 1.0233353067584368
Energy: 1.009900910600599
Energy: 1.0233353067589508
Energy: 1.0099009105990573
Energy: 1.0233353067589508
Energy: 1.0280987200132983
Energy: 0.9816289437199456
Energy: 1.0280987200091871
Energy: 0.981628943715321
Energy: 1.0280987200132983
Energy: 0.9816289437255981
Energy: 1.0280987200097014
Energy: 1.0276752184816693
Energy: 1.017512033549393
Energy: 1.0276752184826967
Energy: 1.0175120335560732
Energy: 1.0276752184811553
Energy: 1.0175120334851606
Energy: 1.0276752184842386
Energy: 1.0294298387003462
Energy: 0.9856268957194837
Energy: 1.029429838697263
Energy: 0.985626895722053
Energy: 1.0294298387018876
Energy: 0.9856268957194837
Energy: 1.0294298386977767
Energy: 1.0397029314185529
Energy: 1.0314978319438493
Energy: 1.0397029314103312
Energy: 1.031497831945391
Energy: 1.0397029314170114
Energy: 1.031497831944363
Energy: 1.0397029314103312
Energy: 1.0224369960864124
Energy: 1.0290131818886405
Energy: 1.0224369960817876
Energy: 1.0290131818896684
Energy: 1.0224369960869262
Energy: 1.0290131818886405
Energy: 1.0224369960817876
Energy: 1.0361085231628056
Energy: 1.0740437238646805
Energy: 1.03610852316075
Energy: 1.0740437238626248
Energy: 1.0361085231617777
Energy: 1.074043723865194
Energy: 1.03610852316075
Energy: 1.09172438897644
Energy: 1.0392561886744363
Energy: 1.0917243889779815
Energy: 1.0392561886728946
Energy: 1.0917243889759263
Energy: 1.0392561886754639
Energy: 1.0917243889774677
Energy: 1.0927856869939918
Energy: 1.0359344474056669
Energy: 1.0927856869909087
Energy: 1.0359344474041254
Energy: 1.0927856869893668
Energy: 1.035934447406181
Energy: 1.0927856869909087
Energy: 1.091730367386047
Energy: 1.032760318671483
Energy: 1.091730367386561
Energy: 1.0327603186730245
Energy: 1.091730367386047
Energy: 1.0327603186725107
Energy: 1.0917303673850194
Energy: 1.0783380302751482
Energy: 1.124436406174933
Energy: 1.0783380302787453
Energy: 1.124436406175961
Energy: 1.0783380302766896
Energy: 1.1244364061733916
Energy: 1.0783380302772034
Energy: 1.1554166062847215
Energy: 1.0335344735125658
Energy: 1.155416606275986
Energy: 1.0335344735110243
Energy: 1.1554166062842077
Energy: 1.0335344735125658
Energy: 1.1554166062765
Energy: 1.0926422558552913
Energy: 1.0358767656703316
Energy: 1.0926422558532358
Energy: 1.0358767656713594
Energy: 1.092642255855805
Energy: 1.0358767656708454
Energy: 1.092642255852722
Energy: 1.0645766350239907
Energy: 1.1781300459581228
Energy: 1.0645766350245045
Energy: 1.1781300459591504
Energy: 1.0645766350239907
Energy: 1.1781300459565813
Energy: 1.0645766350250185
Energy: 1.0359644105096109
Energy: 1.057229464735252
Energy: 1.0359644105137216
Energy: 1.0572294647198828
Energy: 1.0359644105096109
Energy: 1.057229464722966
Energy: 1.035964410512694
Energy: 1.101481849526433
Energy: 1.0304035391114792
Energy: 1.101481849522836
Energy: 1.03040353910891
Energy: 1.1014818495269467
Energy: 1.0304035391109652
Energy: 1.1014818495243774
Energy: 1.0264539324214437
Energy: 1.0373824043405286
Energy: 1.0264539324234991
Energy: 1.0373824043420705
Energy: 1.0264539324219575
Energy: 1.037382404340015
Energy: 1.0264539324229855
Energy: 1.0459918286651084
Energy: 1.0110217573972704
Energy: 1.0459918286625391
Energy: 1.0110217574003537
Energy: 1.0459918286651084
Energy: 1.0110217573967566
Energy: 1.0459918286625391
Energy: 1.0103142091145783
Energy: 1.0152989395720842
Energy: 1.0103142091135506
Energy: 1.0152989395623206
Energy: 1.0103142091145783
Energy: 1.0152989395761949
Energy: 1.0103142091114952
Energy: 1.1282713491944627
Energy: 0.9899760006668866
Energy: 1.1282713491903518
Energy: 0.9899760006704836
Energy: 1.128271349193949
Energy: 0.9899760006663728
Energy: 1.1282713491913796
Energy: 1.019697621116229
Energy: 0.9891716463475764
Energy: 1.0196976211177706
Energy: 0.9891716463532289
Energy: 1.0196976211157152
Energy: 0.9891716463491178
Energy: 1.0196976211172568
Energy: 1.0193411560103245
Energy: 1.0382872476059999
Energy: 1.019341156011866
Energy: 1.0382872476070275
Energy: 1.0193411560103245
Energy: 1.0382872476070275
Energy: 1.0193411560128935
Energy: 0.9737262617113999
Energy: 1.066735521139758
Energy: 0.9737262617149969
Energy: 1.066735521142841
Energy: 0.9737262617129415
Energy: 1.066735521139758
Energy: 0.9737262617149969
Energy: 1.0129773264357915
Energy: 0.9901768497912
Energy: 1.012977326433736
Energy: 0.990176849794797
Energy: 1.0129773264352773
Energy: 0.9901768497901724
Energy: 1.0129773264342496
Energy: 1.0175014395679185
Energy: 0.984801451625937
Energy: 1.0175014395699737
Energy: 0.9848014516249095
Energy: 1.0175014395679185
Energy: 0.984801451625937
Energy: 1.0175014395699737
Energy: 1.0028102946423652
Energy: 1.1244882713783395
Energy: 1.002810294647504
Energy: 1.1244882713803948
Energy: 1.0028102946413375
Energy: 1.1244882713788533
Energy: 1.002810294647504
Energy: 0.9757301293272939
Energy: 0.9858742688826001
Energy: 0.9757301293288354
Energy: 0.9858742688877387
Energy: 0.9757301293278078
Energy: 0.9858742688831139
Energy: 0.9757301293293493
Energy: 1.0040756247538678
Energy: 1.0081746373457836
Energy: 1.0040756247569511
Energy: 1.0081746373468115
Energy: 1.0040756247548959
Energy: 1.0081746373457836
Energy: 1.0040756247574647

minimum gb energy = 0.9718412014880491 eV
minimum distance =  2.26327579578701 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.4482164499737873
Energy: 0.3541613937638193
Energy: 0.448216449977263
Energy: 0.3541613937638193
Energy: 0.44821644997494586
Energy: 0.3541613937638193
Energy: 0.448216449977263
Energy: 2.148968745768067
Energy: 1.2069922350901148
Energy: 2.1489177262003243
Energy: 1.2069922350901148
Energy: 2.149017982500241
Energy: 1.2069922350889561
Energy: 2.1490200536604327
Energy: 0.4482164499761044
Energy: 0.35416139376497774
Energy: 0.4482164499761044
Energy: 0.3541613937672949
Energy: 0.4482164499761044
Energy: 0.35416139376497774
Energy: 0.4482164499761044
Energy: 2.3937014545540136
Energy: 1.2069922350889561
Energy: 2.3937113863089583
Energy: 1.2069922350901148
Energy: 2.393710852683277
Energy: 1.2069922350889561
Energy: 2.3937007807137745
Energy: 0.44821644997494586
Energy: 0.3541613937672949
Energy: 0.44821644997494586
Energy: 0.35416139376497774
Energy: 0.44821644997494586
Energy: 0.3541613937672949
Energy: 0.44821644997494586
Energy: 2.1863172653796124
Energy: 1.2069922350901148
Energy: 2.186293354755436
Energy: 1.2069922350889561
Energy: 2.186295027003783
Energy: 1.2069922350901148
Energy: 2.1863031399439605
Energy: 0.4482164499761044
Energy: 0.35416139376497774
Energy: 0.448216449977263
Energy: 0.35416139376497774
Energy: 0.4482164499761044
Energy: 0.35416139376497774
Energy: 0.4482164499784215
Energy: 2.071253745475349
Energy: 1.2069922350889561
Energy: 2.1863311903142058
Energy: 1.2069922350901148
Energy: 2.0712040597529486
Energy: 1.2069922350889561
Energy: 2.071246641687574
Energy: 0.44821644997494586
Energy: 0.35416139376497774
Energy: 0.44821644997494586
Energy: 0.3541613937672949
Energy: 0.44821644997494586
Energy: 0.35416139376497774
Energy: 0.4482164499737873
Energy: 2.186298227768939
Energy: 1.2069922350889561
Energy: 2.1862905632075083
Energy: 1.2069922350889561
Energy: 2.1862933659374786
Energy: 1.2069922350877977
Energy: 2.1863000469033373
Energy: 0.4482164499761044
Energy: 0.3541613937672949
Energy: 0.4482164499761044
Energy: 0.35416139376497774
Energy: 0.4482164499761044
Energy: 0.3541613937672949
Energy: 0.4482164499761044
Energy: 2.0712159915700954
Energy: 1.2069922350912734
Energy: 2.0712347444310018
Energy: 1.2069922350889561
Energy: 2.0712130743642105
Energy: 1.2069922350901148
Energy: 2.0712315441128384
Energy: 0.44821644997494586
Energy: 0.3541613937638193
Energy: 0.448216449977263
Energy: 0.3541613937638193
Energy: 0.4482164499737873
Energy: 0.3541613937638193
Energy: 0.448216449977263
Energy: 2.0712071514606785
Energy: 1.2069922350889561
Energy: 2.0713758615953206
Energy: 1.2069922350889561
Energy: 2.0712401673499814
Energy: 1.2069922350889561
Energy: 2.0712542396036895
Energy: 0.4482164499761044
Energy: 0.35416139376497774
Energy: 0.4482164499761044
Energy: 0.3541613937672949
Energy: 0.4482164499761044
Energy: 0.35416139376497774
Energy: 0.4482164499761044
Energy: 2.0714015714286234
Energy: 1.2069922350889561
Energy: 2.071392266327186
Energy: 1.2069922350901148
Energy: 2.0712532128918943
Energy: 1.2069922350889561
Energy: 2.0713964928093844
Energy: 0.4482164499761044
Energy: 0.3541613937672949
Energy: 0.44821644997494586
Energy: 0.3541613937638193
Energy: 0.4482164499761044
Energy: 0.3541613937672949
Energy: 0.44821644997494586
Energy: 2.0712232210112203
Energy: 1.2069922350901148
Energy: 2.0712029654450848
Energy: 1.2069922350889561
Energy: 2.071242154599605
Energy: 1.2069922350901148
Energy: 2.07125415439151
Energy: 0.4482164499761044
Energy: 0.35416139376497774
Energy: 0.4482164499784215
Energy: 0.35416139376497774
Energy: 0.4482164499761044
Energy: 0.35416139376497774
Energy: 0.448216449977263
Energy: 2.07137511333933
Energy: 1.2069922350889561
Energy: 2.0713709969498324
Energy: 1.2069922350901148
Energy: 2.0712534330750056
Energy: 1.2069922350901148
Energy: 2.0713903870556885

minimum gb energy = 0.3541613937638193 eV
minimum distance =  2.19343258443784 Angstroms
sigma value = 23