Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014972491
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22699202383842e-19, 3.8083257937189797e-19, 4.2788690493584396e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-17]
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: 0.0221551284768471
Energy: 0.02295397233399694
Energy: 1.805119331799269
Energy: 1.3689330182007342
Energy: 1.3927183154643792
Energy: 0.5004065713076399
Energy: 0.022774128756371782
Energy: 0.022863072688622716
Energy: 1.39005040565649
Energy: 0.40138167038439665
Energy: 0.871388445057123
Energy: 0.9743912227483651
Energy: 0.023296760425814026
Energy: 0.15439855783984718
Energy: 0.022600791229635448
Energy: 1.390472000195897
Energy: 1.216200996532629
Energy: 1.218375558078155
Energy: 0.8723236966426056
Energy: 0.15293578474180608
Energy: 0.15458627444377646
Energy: 0.025541369023612776
Energy: 0.8730849958586974
Energy: 1.2161133087626133
Energy: 1.3690220471734993
Energy: 1.401486511119842
Energy: 0.15348751351454484
Energy: 0.023153008181014182
Energy: 1.6956957101285914
Energy: 1.3947850534858761
Energy: 0.40132441031802296
Energy: 0.8713428527354179
Energy: 0.9742312215317837
Energy: 0.02292287732966088
Energy: 0.15252333254634645
Energy: 0.02258545996183417
Energy: 1.2778953919906124
Energy: 1.2152093205113192
Energy: 1.2178161596415382
Energy: 1.1013416573040546
Energy: 0.1528052621240147
Energy: 0.15456092635256496

minimum gb energy = 0.0221551284768471 eV
minimum distance =  2.46822111476639 Angstroms
sigma value = 5


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

Energy: 1.7729754962847215
Energy: 1.6864490262761485
Energy: 1.884137480064982
Energy: 2.067201220798719
Energy: 1.9806195282341685
Energy: 1.9230576324011102
Energy: 1.7746435245395848
Energy: 1.6037570293602614
Energy: 1.8941031070354606
Energy: 1.6620244621399185
Energy: 2.0382013818699143
Energy: 1.932251538520614
Energy: 1.7031599686979402
Energy: 1.9160808937178386
Energy: 1.9118112000720242
Energy: 1.894271882336267
Energy: 1.915521883732286
Energy: 1.9353663337111484
Energy: 1.8191043209335185
Energy: 1.9145222928963905
Energy: 1.805083174082958
Energy: 1.6699848383400309
Energy: 1.9663681281384326
Energy: 1.7208767344758482
Energy: 1.882093048827179
Energy: 1.9028903039105132
Energy: 1.6494738022062152
Energy: 1.8594953748989174
Energy: 1.884523294678755
Energy: 1.7740976081529505
Energy: 1.769491149775229
Energy: 1.650427975035995
Energy: 1.8114732118867534
Energy: 1.919023662253303
Energy: 1.9150345656126835
Energy: 1.7436923567726672
Energy: 1.7536590197287887
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Energy: 1.7996531585240423
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Energy: 1.958758958417454
Energy: 1.805513764195897
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Energy: 1.6560261867610724
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Energy: 1.7833616574333813
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Energy: 1.8440749866671349
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Energy: 1.9273151526403263
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Energy: 1.895429750146412
Energy: 1.6889718383995391
Energy: 1.8373602155112247
Energy: 1.7577976008553537
Energy: 1.850389204555026
Energy: 1.822998045872796
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Energy: 1.7711197337166267
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Energy: 1.906818898462978
Energy: 1.922314176856107
Energy: 1.8338017497306152
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Energy: 1.6612423201364634
Energy: 1.643386382358888
Energy: 1.8935463066351546
Energy: 1.9692146343185455
Energy: 1.6440071635422153
Energy: 1.887604374186044
Energy: 1.8500203422143264
Energy: 1.7364740049404706
Energy: 1.809045408176532
Energy: 1.7582406424668955
Energy: 1.731755044444216
Energy: 1.837898122143113
Energy: 1.907927361478474
Energy: 1.687188253816805
Energy: 1.873671298524596
Energy: 1.674331046723984
Energy: 1.7173909802723728
Energy: 1.9059419348250926
Energy: 1.677448703853502
Energy: 1.7315540538752778
Energy: 1.8413594509377942
Energy: 1.8133935521752222
Energy: 1.8531065755905913
Energy: 1.8229755282948517
Energy: 1.8947427790136997
Energy: 1.9174670356632575
Energy: 1.7488667131129856
Energy: 1.6613924732726422
Energy: 1.7733715414819442
Energy: 1.7741390291841028
Energy: 2.0298051777107435
Energy: 1.8446204775476687
Energy: 1.6560793340126878
Energy: 1.957583548955723
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Energy: 1.7138367207911076
Energy: 1.8669363666252143
Energy: 1.9119545406224978
Energy: 1.8828288793478054
Energy: 1.7652997851246188
Energy: 1.722080650091178

minimum gb energy = 1.6037570293602614 eV
minimum distance =  2.21873491266668 Angstroms
sigma value = 401


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

Energy: 1.7045937569458924
Energy: 1.6410655210550587
Energy: 1.8770159267779247
Energy: 1.9648960218179405
Energy: 2.047478529670396
Energy: 1.6886611636975215
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Energy: 1.7036362192153771
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Energy: 1.7969159511948922
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Energy: 1.664754656130055
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Energy: 1.6791257242067723
Energy: 1.732573921479526
Energy: 1.9709560450400092
Energy: 1.8444018259335524
Energy: 1.809939570354788
Energy: 1.6705942922012469
Energy: 1.833911645986413
Energy: 1.8022508718587111
Energy: 1.6821280770536997
Energy: 1.642196065937965
Energy: 1.8196874516373873
Energy: 1.952876981368734
Energy: 1.81169539651848
Energy: 1.8007288023260628
Energy: 1.8542702327581337
Energy: 1.896871266212013
Energy: 1.8945161798265087
Energy: 1.9798891877554574
Energy: 1.7046003609628713
Energy: 1.822830417818019
Energy: 1.707329329833768
Energy: 1.851322905201979
Energy: 1.7911716067431895
Energy: 1.8440442702926172
Energy: 1.7127297495175595
Energy: 1.6947261765132646
Energy: 1.736600420654979
Energy: 1.830363537155615
Energy: 2.1074901439238083
Energy: 1.8761931475339944
Energy: 1.6796993008986223
Energy: 1.7366072577083858
Energy: 1.6673842360370292
Energy: 1.6535099512622642
Energy: 1.936295515666682
Energy: 1.72482580410614
Energy: 1.7167555184222063
Energy: 1.7314618080715904
Energy: 1.6702582281442635
Energy: 1.6721177513302137
Energy: 1.6633991594709647
Energy: 1.8742154337521353
Energy: 1.64825634614733
Energy: 1.9914280216353795
Energy: 1.8495472837088036
Energy: 1.6721418058119193
Energy: 1.689154829964344
Energy: 1.6387557140038023
Energy: 1.7223236453070667
Energy: 1.6316860525148285
Energy: 1.9902812923523192
Energy: 1.7367866910255032
Energy: 1.7359500052418084
Energy: 1.8399480179529428
Energy: 1.9581779149929521
Energy: 1.7909268609891749
Energy: 1.8867579230054303
Energy: 1.771072324288895
Energy: 1.874475019398247
Energy: 1.7508269587984557
Energy: 1.7287388240961907
Energy: 1.6519059704057755
Energy: 1.6970222831638504
Energy: 1.6813166581432288
Energy: 1.7280619202533594
Energy: 1.662230074077061
Energy: 1.9347609448970873
Energy: 1.8848290741445772
Energy: 1.715193158675503
Energy: 1.7286457248587204
Energy: 1.7233233091079936
Energy: 1.7819552710579594
Energy: 1.9564616043589753
Energy: 1.9796785873366125
Energy: 1.7538041762190262
Energy: 1.7443960038382615
Energy: 1.6900394405125443
Energy: 1.8482684738014281
Energy: 1.671481285494804
Energy: 1.6455334553188692
Energy: 1.9582255906944637
Energy: 1.947629260233267
Energy: 1.7676003262904516
Energy: 1.8536824084721135
Energy: 1.8238093201879129
Energy: 1.7233065498641735
Energy: 1.8978147245319406
Energy: 1.9518302745018417
Energy: 1.7049466639092472
Energy: 1.7965549131419267
Energy: 1.6995709882182948
Energy: 1.6842114764338845
Energy: 1.793688509836657
Energy: 1.8329658399513304
Energy: 1.709621283617849
Energy: 1.663031169535462
Energy: 1.7841715033251468
Energy: 1.9283613466943654
Energy: 1.7866237339458717
Energy: 1.8953714860582738
Energy: 1.9461068402861668
Energy: 1.8156668411714867
Energy: 1.665053165140745
Energy: 1.6888265405633844
Energy: 1.9189951795966202
Energy: 1.820942363708262
Energy: 1.6539841060716602
Energy: 1.7648770004422834
Energy: 1.7065308077938839

minimum gb energy = 1.6316860525148285 eV
minimum distance =  2.22442660208743 Angstroms
sigma value = 311


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

Energy: 1.8052044473061821
Energy: 1.746368077644379
Energy: 1.7927513744025345
Energy: 1.6773303311482923
Energy: 1.8160303624368248
Energy: 1.7985010663178775
Energy: 1.80641330383801
Energy: 1.7370220374224425
Energy: 1.828403545449377
Energy: 1.7054848916281362
Energy: 1.769994841417412
Energy: 1.7429106967063832
Energy: 1.7449842185257083
Energy: 1.8335627126287524
Energy: 1.8117338093396627
Energy: 1.6748131776531383
Energy: 1.691598857569284
Energy: 1.7527043426758713
Energy: 1.808495724451125
Energy: 1.7222921404637803
Energy: 1.8059461795743967
Energy: 1.650562600772631
Energy: 1.8702812481850044
Energy: 1.7098725057591413
Energy: 1.746334749341055
Energy: 1.7468336099119464
Energy: 1.6514735586073948
Energy: 1.923955743635514
Energy: 1.8050048261937197
Energy: 1.8652366567244425
Energy: 1.7880399355324168
Energy: 1.808717372653793
Energy: 1.8129438408974845
Energy: 1.8531434016838493
Energy: 1.7604616253918566
Energy: 1.675857501212345
Energy: 1.762188262948493
Energy: 1.7334413248878409
Energy: 1.749144492961409
Energy: 1.7300553948260484
Energy: 1.829629905492187
Energy: 1.77168165890712
Energy: 1.8168123068063309
Energy: 1.760336999671177
Energy: 1.818495279504133
Energy: 1.7630251239672412
Energy: 1.8375426019928256
Energy: 1.8103200487901407
Energy: 1.7154801863106284
Energy: 1.800815360852171
Energy: 1.866121327384064
Energy: 1.7552354481207952
Energy: 1.7662607206174523
Energy: 1.8674708306101628
Energy: 1.7289692258873046
Energy: 1.6913852014699395
Energy: 1.8000268586769748
Energy: 1.776162666477227
Energy: 1.7756705069524743
Energy: 1.6805714854036542
Energy: 1.723639681671655
Energy: 1.7711224506913084
Energy: 1.6367725742716186
Energy: 1.6501826158731248
Energy: 1.777752482234555
Energy: 1.6488847775576827
Energy: 1.7782689369680638
Energy: 1.8357858591952763
Energy: 1.7333068468671993
Energy: 1.7856986383562172
Energy: 1.8886365476169067
Energy: 1.8749442806618875
Energy: 1.8241915664820543
Energy: 1.8668263565900465
Energy: 1.7805936604765193
Energy: 1.8238687166445868
Energy: 1.8059877301904486
Energy: 1.6734309606093827
Energy: 1.83144580276752
Energy: 1.7298709888762123
Energy: 1.7007959119772629
Energy: 1.7082189833974595
Energy: 1.7755334973272157
Energy: 1.696717979765193
Energy: 1.8174357848174245
Energy: 1.8621497345359797
Energy: 1.8241636890503419
Energy: 1.761295427505833
Energy: 1.8268252857271559
Energy: 1.800391757572218
Energy: 1.7006428324702048
Energy: 1.729347576490584
Energy: 1.8084732244220478
Energy: 1.8321763416246846
Energy: 1.7854082545585144
Energy: 1.847884573616267
Energy: 1.7575314081455207
Energy: 1.816451509039375
Energy: 1.7483085480269585
Energy: 1.6765470891518315
Energy: 1.8042544746850124
Energy: 1.7972499920016058
Energy: 1.8574386303299755
Energy: 1.7039112451900809
Energy: 1.730671441972517
Energy: 1.6852242310412282
Energy: 1.8949779659289694
Energy: 1.6364648292853041
Energy: 1.766153702719925
Energy: 1.725646503605885
Energy: 1.7120123639306073
Energy: 1.8015621888738784
Energy: 1.8614917694188207
Energy: 1.9134369569839975
Energy: 1.8831147239451185
Energy: 1.8522515158175905
Energy: 1.7973589272383266
Energy: 1.9031115594011851
Energy: 1.77220387411445
Energy: 1.690592641997124
Energy: 1.816800516555267
Energy: 1.7896212194011953
Energy: 1.742553631051688
Energy: 1.7297765393231381
Energy: 1.7100772184227306
Energy: 1.7675388560806657
Energy: 1.8243057359274768
Energy: 1.7701291427709913
Energy: 1.8151808865057402
Energy: 1.8078496732637
Energy: 1.9100754343928201
Energy: 1.8061713682136893
Energy: 1.784476870056142
Energy: 1.7620636046847835
Energy: 1.8332149015605612
Energy: 1.7847732708067785
Energy: 1.8430665226467269
Energy: 1.9333719227474853
Energy: 1.781726632514174
Energy: 1.841956399292048
Energy: 1.759366822774359
Energy: 1.7152746537421597
Energy: 1.8087106640377635
Energy: 1.8870877726552364
Energy: 1.8575497458635488
Energy: 1.8002538406564121
Energy: 1.7324173255712745
Energy: 1.651390436868319
Energy: 1.7895603749391034
Energy: 1.8210480275607706
Energy: 1.7561143489399595
Energy: 1.7497663570040645
Energy: 1.7358530897862376
Energy: 1.7727739532644766
Energy: 1.9062138224646037
Energy: 1.8390804909174112
Energy: 1.8991915893268958
Energy: 1.8674923522345217
Energy: 1.8052098578979043
Energy: 1.8923481183935367
Energy: 1.8158979560664457
Energy: 1.7167466391726658
Energy: 1.8476782117782409
Energy: 1.8492800576867774
Energy: 1.6984870406508952
Energy: 1.7052474840754783
Energy: 1.723723966416108
Energy: 1.7897701805519834
Energy: 1.8167617232747784
Energy: 1.8014762074790147
Energy: 1.8880727179993102
Energy: 1.934225727861881
Energy: 1.9054688753286857
Energy: 1.788880197640354
Energy: 1.7564650436969143
Energy: 1.7550441015512381
Energy: 1.8738846842237302
Energy: 1.8377609838224487
Energy: 1.816987517318412
Energy: 1.8676239236703223
Energy: 1.774712691369864
Energy: 1.8103339143584356
Energy: 1.782457771492338
Energy: 1.7584759479678524
Energy: 1.8084480898619797
Energy: 1.6832090761328427
Energy: 1.9134553015870739
Energy: 1.7940829475230775
Energy: 1.773799455894929
Energy: 1.7180748185742938
Energy: 1.813238366090689
Energy: 1.7231951018941785
Energy: 1.6731382580344214
Energy: 1.7928500406351537
Energy: 1.7258143190911086
Energy: 1.7280484672216228
Energy: 1.865743886853948
Energy: 1.8712156447475974
Energy: 1.8197098883395413
Energy: 1.8907721080553643
Energy: 1.77455141434365
Energy: 1.864709537489381
Energy: 1.763523086953997
Energy: 1.714058336505938
Energy: 1.8250206008388972
Energy: 1.7484312932887758
Energy: 1.768381906990716
Energy: 1.8903558032918337
Energy: 1.800987706636878
Energy: 1.7538083295327886
Energy: 1.8140749720887537
Energy: 1.7306595210546123
Energy: 1.786523448597714
Energy: 1.7319498450856765
Energy: 1.871751798393578
Energy: 1.7758586262186515
Energy: 1.7240251633583388
Energy: 1.7678802886804186
Energy: 1.80224486759144
Energy: 1.8410779954777647
Energy: 1.7666390238394771
Energy: 1.942672725018086
Energy: 1.8250415134568976
Energy: 1.7998938754366585
Energy: 1.797700991388256
Energy: 1.7535919713231973
Energy: 1.771480008383658
Energy: 1.7287775826384844
Energy: 1.8866546191153215
Energy: 1.7987642113622972
Energy: 1.8160475111033223
Energy: 1.7774892160903928
Energy: 1.7947014314903365
Energy: 1.7442985114764302
Energy: 1.708104082697283
Energy: 1.789392678159025
Energy: 1.7310235210001275
Energy: 1.8265573690065102
Energy: 1.8652191560548823
Energy: 1.892889216967538
Energy: 1.7877562758660985
Energy: 1.855774922283925
Energy: 1.7389671513628366
Energy: 1.851052918919349
Energy: 1.8282086332382517
Energy: 1.7718191260542637
Energy: 1.8861077752317104
Energy: 1.7792037823530114
Energy: 1.7250400760862
Energy: 1.765797559085263
Energy: 1.7528084149125929
Energy: 1.891465207691194

minimum gb energy = 1.6364648292853041 eV
minimum distance =  2.21875865833187 Angstroms
sigma value = 39


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

Energy: 1.6153820646363464
Energy: 1.6228525505084945
Energy: 2.015027294900321
Energy: 1.9201658281156184
Energy: 1.8299886686726683
Energy: 1.727839197629004
Energy: 1.5580391322841898
Energy: 1.5618353777423377
Energy: 1.7343516018011247
Energy: 1.7160842116827844
Energy: 1.6098164589941557
Energy: 1.6000376693313716
Energy: 1.651847340463538
Energy: 1.6780797004526395
Energy: 1.6500483709140663
Energy: 1.6375652719136378
Energy: 1.7320187210156048
Energy: 1.6065842974490856
Energy: 1.5987550254100562
Energy: 1.6666362251365163
Energy: 1.7684965735033698
Energy: 1.6268245581959038
Energy: 1.6186131832081052
Energy: 1.704862594605659
Energy: 1.7238708060523589
Energy: 1.6270488451311536
Energy: 1.7183894250162774
Energy: 1.7751470736839512
Energy: 1.6681379561752483
Energy: 1.598855881386899
Energy: 1.6903941667016302
Energy: 1.711826481046541
Energy: 1.6275723997275011
Energy: 1.9514970329219192
Energy: 1.667366625933838
Energy: 1.5598944381306206
Energy: 1.597930951523413
Energy: 1.7108093596079186
Energy: 1.878820628794678
Energy: 1.7624321346412617
Energy: 1.6773921489605823
Energy: 1.6673267187117522
Energy: 1.9589606433430948
Energy: 1.7780937737096378
Energy: 1.677515009608055
Energy: 1.8599368231019222
Energy: 1.5599008768528388
Energy: 1.5609401967099645
Energy: 1.6532975767607812
Energy: 1.5575060078147112
Energy: 1.7375072180872382
Energy: 1.9844057264414723
Energy: 1.7472318780669318
Energy: 1.785748862778659
Energy: 1.7374998262992223
Energy: 1.6667655304607902
Energy: 1.5601248267574555
Energy: 1.7380357673674567
Energy: 1.9253742831645728
Energy: 1.6197472952176717
Energy: 1.5981838060110356
Energy: 1.9184818315794863
Energy: 1.6672466817920393
Energy: 1.9596439970985802
Energy: 1.7183022229349407
Energy: 1.7179811969980858
Energy: 1.6086816196679776
Energy: 1.6013505752785224
Energy: 1.651553507224838
Energy: 1.6667703000494247
Energy: 1.6244187353721458
Energy: 1.6174204102402499
Energy: 1.6999305346210785
Energy: 1.619038739326485
Energy: 1.5988892799485968
Energy: 1.6880053690484853
Energy: 1.7788781298317329
Energy: 1.6664143604847264
Energy: 1.5980986778608977
Energy: 1.6833812793582643
Energy: 1.6489254291736444
Energy: 1.6280131524131136
Energy: 1.6945353097851559
Energy: 1.6798212207522838
Energy: 1.5583819341330796
Energy: 1.6001178493264085
Energy: 1.732653586487077
Energy: 1.768703640086531
Energy: 1.7436167450496678
Energy: 1.7369388697446406
Energy: 1.6664737283103614
Energy: 1.740745630096636
Energy: 1.6182726889131933
Energy: 1.7120351035509067
Energy: 1.862576859549539
Energy: 1.5606270147851606
Energy: 1.5589691683317628
Energy: 1.6916832291161175
Energy: 1.5577088243009307
Energy: 1.730391903846741
Energy: 1.676721253125457
Energy: 1.8625828895574725
Energy: 1.561375893250172
Energy: 1.5587299962041206
Energy: 1.6778456879289825
Energy: 1.5572608174438767
Energy: 1.8480482526131625
Energy: 1.9455667031983936
Energy: 1.6933385835686492
Energy: 1.8288404916569174
Energy: 1.73289815503394
Energy: 1.5579513970528849
Energy: 1.6493071032535163
Energy: 1.7336674820469244
Energy: 1.7187842161707592
Energy: 1.6305581570292043
Energy: 1.599903596766035
Energy: 1.651580757196368
Energy: 1.6795467690039534
Energy: 1.6496269752202937
Energy: 1.6371609363743638
Energy: 1.6881572785285046
Energy: 1.6069158676798998
Energy: 1.5984539302923244
Energy: 1.6665474931630706
Energy: 1.7678288264025783
Energy: 1.626141815261713
Energy: 1.6394460447004087
Energy: 1.7051460325240968
Energy: 1.723206378892605
Energy: 1.6269936740467965
Energy: 1.7185068616747585
Energy: 1.7755443062657985
Energy: 1.6684443900735912
Energy: 1.5987208325287328
Energy: 1.690626886098414
Energy: 1.7127574102479823
Energy: 1.627143313153659
Energy: 1.9510710992013494
Energy: 1.6672729734781906
Energy: 1.559008679351501
Energy: 1.5976649853281797
Energy: 1.7108666525438696
Energy: 1.8788914282091158
Energy: 1.7618750791265494
Energy: 1.5588981327112512
Energy: 1.66668372216751
Energy: 1.9580181135181958
Energy: 1.750984040888732
Energy: 1.6753698330866125
Energy: 1.8447503170364254
Energy: 1.5596155955935447
Energy: 1.5614138650517932
Energy: 1.691976638634559
Energy: 1.561954968543665
Energy: 1.7351904349517173
Energy: 1.9858683800001642
Energy: 1.7467059061683543
Energy: 1.787115691961554
Energy: 1.7374618304726475
Energy: 1.6681870591661738
Energy: 1.559487217226235
Energy: 1.7394253035537013
Energy: 1.9254806170372993
Energy: 1.6192960974208497
Energy: 1.5980110888758414
Energy: 1.7174826048318803
Energy: 1.6665074803380988
Energy: 1.9575309477138678
Energy: 1.719899739529786
Energy: 1.7178225141009105
Energy: 1.609828045110011
Energy: 1.5987054755391115
Energy: 1.6508574579080475
Energy: 1.6665354032109132
Energy: 1.6241536332557849
Energy: 1.6176340889912455
Energy: 1.7000151442124867
Energy: 1.6197309721274642
Energy: 1.599357039429662
Energy: 1.7162254697234247
Energy: 1.7778639672014078
Energy: 1.6678064083131634
Energy: 1.5985537636010594
Energy: 1.6822906183526056
Energy: 1.6488290326766981
Energy: 1.628521181353593
Energy: 1.695186960283645
Energy: 1.6795012007628605
Energy: 1.5587018827732606
Energy: 1.599814332592086
Energy: 1.732978656617911
Energy: 1.7684960842011428
Energy: 1.7432222386282787
Energy: 1.7370084268394788
Energy: 1.6681728995199792
Energy: 1.7409627391156208
Energy: 1.6182920403955128
Energy: 1.7122308490894438
Energy: 1.8627566656584065
Energy: 1.5604440719634114
Energy: 1.5589312548067438
Energy: 1.6906747375395166
Energy: 1.559153404670552
Energy: 1.732399208062926
Energy: 1.6770981128792362
Energy: 1.8796183880412591
Energy: 1.5615550975322903
Energy: 1.558557716096052
Energy: 1.677788708845454

minimum gb energy = 1.5572608174438767 eV
minimum distance =  2.23310166409453 Angstroms
sigma value = 21


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

Energy: 2.0090068226159845
Energy: 1.7678582853519105
Energy: 1.647627286755008
Energy: 1.8540620306630708
Energy: 1.7879189723507
Energy: 1.6856430998494087
Energy: 1.657643944791265
Energy: 1.6545887919074047
Energy: 1.8297164829111374
Energy: 1.8711712358890606
Energy: 1.863343411778097
Energy: 1.9394456709751768
Energy: 1.8330448934630355
Energy: 1.8321023120241944
Energy: 1.8901761152649468
Energy: 1.7274789719365995
Energy: 1.6456752025417427
Energy: 1.9306653582057602
Energy: 1.572164034892316
Energy: 1.5719881605743316
Energy: 1.8511156393421835
Energy: 1.7910297405659714
Energy: 1.84239693254852
Energy: 1.7221183369236754
Energy: 1.8034721666776115
Energy: 1.693217942307384
Energy: 1.6336142243920104
Energy: 1.8495928632981187
Energy: 1.572479764412467
Energy: 1.7204314935690188
Energy: 1.6640342552611227
Energy: 1.5818610339837322
Energy: 1.6360632920352105
Energy: 1.6286423831310206
Energy: 1.590326372878858
Energy: 1.5562962688398423
Energy: 1.631445777159202
Energy: 1.6238838863061897
Energy: 1.713379170902643
Energy: 1.5979135105969426
Energy: 1.584172971867437
Energy: 1.6436164106163214
Energy: 1.980482810782981
Energy: 1.6755753984785413
Energy: 1.6354443304847535
Energy: 1.7353267481590495
Energy: 1.5891458238477572
Energy: 1.5574364641667162
Energy: 1.6564729379198557
Energy: 1.6335000674517686
Energy: 1.6069111412627417
Energy: 1.6461428380562118
Energy: 1.776091906602423
Energy: 1.5719311212345113
Energy: 1.5734324616985653
Energy: 1.7040213511884865
Energy: 1.6268565563955408
Energy: 1.7670623442536129
Energy: 1.8535470191670054
Energy: 1.660012865868918
Energy: 1.9866411863528222
Energy: 2.087047244318438
Energy: 2.0326316441986916
Energy: 1.5716721686646498
Energy: 1.8695331437645137
Energy: 1.649284094373801
Energy: 1.8549244442312378
Energy: 1.666040838792023
Energy: 1.8904562964568425
Energy: 1.790871429491873
Energy: 1.787412700432625
Energy: 1.7777682715216068
Energy: 1.644404203876409
Energy: 1.6631560965775893
Energy: 1.5572676779919694
Energy: 1.556672381817027
Energy: 1.8326166712438645
Energy: 1.8632509689290178
Energy: 1.7220503945463788
Energy: 1.8542382659994272
Energy: 2.2047567136340023
Energy: 1.557161717787298
Energy: 1.5568610433075603
Energy: 1.9224363988814002
Energy: 1.5570077418071697
Energy: 1.7243483957919739
Energy: 2.0321047995335615
Energy: 1.8203257112204736
Energy: 1.7314532314539617
Energy: 1.6325834424101975
Energy: 1.6563362382874969
Energy: 1.5568826507531506
Energy: 1.7447900881454208
Energy: 1.6449741586849158
Energy: 1.6833013266939896
Energy: 1.7987207224089548
Energy: 1.70384400685406
Energy: 1.832490248985313
Energy: 1.8894328260514606
Energy: 1.6374031112560532
Energy: 1.647568871435407
Energy: 1.96019299869634
Energy: 1.8333298857127889
Energy: 1.7998858600602332
Energy: 1.7906175527206993
Energy: 1.8013572692878488
Energy: 1.726673496557519
Energy: 1.6939487885029914
Energy: 1.6700051370274518
Energy: 1.6934237780084285
Energy: 1.840734511221161
Energy: 2.062394556256663
Energy: 1.5716941081267541
Energy: 1.7210156336073568
Energy: 1.6251287303388513
Energy: 1.6319736404899277
Energy: 1.668479862953742
Energy: 1.6283984764188075
Energy: 1.592118060535708
Energy: 1.5568136060298512
Energy: 1.6318789851982367
Energy: 1.654285099413376
Energy: 1.9202816608032087
Energy: 1.9803106962480392
Energy: 2.1318467175766718
Energy: 1.8957695041758946
Energy: 1.5554014649373864
Energy: 1.5910948783421308
Energy: 1.6237730087100268
Energy: 1.6666555309679978
Energy: 1.5880884271818907
Energy: 1.5580745900107398
Energy: 1.6565657883332587
Energy: 1.6277629372294837
Energy: 1.6065902705886876
Energy: 1.7019767639535517
Energy: 1.6596736731917887
Energy: 1.720193227592309
Energy: 1.5722037275413316
Energy: 1.5909751042725686
Energy: 1.6349108219135393
Energy: 1.6330841896119774
Energy: 1.8297582333811728
Energy: 1.950142725669155
Energy: 1.9387261590604403
Energy: 2.050544321160627
Energy: 2.0292711074464895
Energy: 1.5717647528384506
Energy: 1.8045482837347988
Energy: 1.6472747388273408
Energy: 1.6880693275805063
Energy: 1.612251344099172
Energy: 1.7839252018883023
Energy: 1.5697769267897979
Energy: 1.8328704634285333
Energy: 1.6651048242816857
Energy: 1.954719854635859
Energy: 1.8851254691157222
Energy: 1.6920552077593352
Energy: 1.730449123851654
Energy: 1.8338993633775071
Energy: 1.65363493558755
Energy: 1.6374525336129568
Energy: 1.769323815830464
Energy: 2.1487284446873645
Energy: 1.556918637697817
Energy: 1.5558794518898882
Energy: 1.7177850014102587
Energy: 1.5566997316676783
Energy: 1.7560918117450766
Energy: 1.9019575417690469
Energy: 1.681471597507361
Energy: 1.6922818406002706
Energy: 1.981894524464485
Energy: 1.833068082329479

minimum gb energy = 1.5554014649373864 eV
minimum distance =  2.2230545249693 Angstroms
sigma value = 113


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

Energy: 1.8684744325709814
Energy: 2.0553866175303135
Energy: 2.065327925495361
Energy: 2.0469948291500573
Energy: 1.9917679139361755
Energy: 2.0127496319690974
Energy: 2.052378379087185
Energy: 2.0624583301079213
Energy: 2.097432379530743
Energy: 2.027358569109473
Energy: 2.1290663403097763
Energy: 2.0802630924069887
Energy: 2.0338079678200955
Energy: 2.0989764930630366
Energy: 2.0660826125208436
Energy: 1.9725667051308176
Energy: 1.961720852227362
Energy: 2.0249138315435027
Energy: 2.008497607692635
Energy: 1.975263719582678
Energy: 2.1081887400893056
Energy: 1.9046155701274268
Energy: 2.1627545882948382
Energy: 1.9260773452593247
Energy: 2.017953136530634
Energy: 2.003716831554852
Energy: 1.9166244742153988
Energy: 2.075223572209634
Energy: 1.8651904829163142
Energy: 2.0539156002557695
Energy: 1.843318530318596
Energy: 1.9921643091731465
Energy: 1.9161473621448915
Energy: 1.8482232976366664
Energy: 1.9456192184243741
Energy: 1.740067458122796
Energy: 1.916488229472429
Energy: 1.9900903810012367
Energy: 1.8426180022231107
Energy: 1.8166632269225331
Energy: 1.797290319445067
Energy: 1.9360545889497363
Energy: 1.9602766432203986
Energy: 2.1282728606007897
Energy: 1.8357715714462721
Energy: 1.8772256780878307
Energy: 1.876171095039238
Energy: 1.8327922201098612
Energy: 2.056505536928312
Energy: 2.0432398267310066
Energy: 1.7082178541199953
Energy: 2.0009578184115506
Energy: 2.0338857895153195
Energy: 1.941548177760129
Energy: 1.8649731943766648
Energy: 1.8143797646612199
Energy: 1.631182110041287
Energy: 1.9196195588401914
Energy: 1.9197297806563955
Energy: 1.858574944544177
Energy: 1.9776885484659736
Energy: 1.9972957669271985
Energy: 1.9304244554864005
Energy: 1.8755889421701497
Energy: 1.8296083513688453
Energy: 1.8523184656091796
Energy: 1.920382204754209
Energy: 1.9112220555169432
Energy: 1.9781043564258056
Energy: 1.8681668853514979
Energy: 1.8808720178799496
Energy: 1.8093899818194648
Energy: 1.8778379190010634
Energy: 1.716976315511573
Energy: 1.891182994390541
Energy: 1.8674241652460668
Energy: 1.8194104820559662
Energy: 1.7125463220083221
Energy: 2.0274645808225604
Energy: 1.9953268732714242
Energy: 2.0023369502308377
Energy: 1.847989510699545
Energy: 1.9223746538115414
Energy: 2.014205977838905
Energy: 1.9276801034363664
Energy: 1.7025560970567823
Energy: 1.8973861119441857
Energy: 1.9342759917936148
Energy: 1.923414325800489
Energy: 1.8092935903587044
Energy: 1.7487008741396317
Energy: 1.9115527161987618
Energy: 1.82794986416193
Energy: 2.034845546133534
Energy: 1.7060317273038126
Energy: 1.7685481189682055
Energy: 1.849408890007708
Energy: 1.9643382644280047
Energy: 1.7449155394208258
Energy: 1.9459143365723313
Energy: 1.8567539256781604
Energy: 1.8470177642594285
Energy: 1.719753024265109
Energy: 1.9029494726466112
Energy: 1.8476771203261735
Energy: 1.8534466116035717
Energy: 1.868376894246026
Energy: 1.9029310827555481
Energy: 1.9934963299335458
Energy: 1.9053782259101644
Energy: 1.901458441308019
Energy: 1.9153679802410686
Energy: 1.867023740017429
Energy: 2.026320751705924
Energy: 1.9159884319071112
Energy: 2.0294758945343117
Energy: 1.9105204526624195
Energy: 1.9114072241754059
Energy: 2.0124244136402956
Energy: 1.826702982140912
Energy: 1.9322209735931577
Energy: 1.9229157862511506
Energy: 1.9269634524153307
Energy: 1.9150193934171307
Energy: 1.9446640903988022
Energy: 1.921731722302174
Energy: 1.9862139527261073
Energy: 2.104131726306139
Energy: 1.9575692057896583
Energy: 2.1001220843428117
Energy: 1.9661948133369473
Energy: 2.03131265632721
Energy: 2.0016448090414114
Energy: 1.9024023472784375
Energy: 2.058879372287128
Energy: 1.9362116737498973
Energy: 2.0553835966505867
Energy: 2.005109587982765
Energy: 1.9149517101289018
Energy: 2.0956136962981375
Energy: 2.0667733206990175
Energy: 2.0191986190849196
Energy: 1.9527945177285393
Energy: 2.147433045974296
Energy: 1.974699756795996
Energy: 1.886078395954413
Energy: 2.1205351440130187
Energy: 2.0012625787177476
Energy: 2.011457258522224
Energy: 1.9705608123789433
Energy: 2.184959513743594
Energy: 1.9740180059957748
Energy: 1.880552964997302
Energy: 2.0946517625469485
Energy: 1.8603453044026685
Energy: 2.000006928323463
Energy: 2.0687511903343823
Energy: 2.046071062060785
Energy: 1.9929963025850481
Energy: 1.9125459962734632
Energy: 2.021865825545207
Energy: 2.057801567435512
Energy: 2.0989213821288293
Energy: 2.014691124311125
Energy: 2.0550953225751254
Energy: 1.9743477629602957
Energy: 2.0380112065672837
Energy: 2.1415463228427076
Energy: 1.8271507548812218
Energy: 1.974061452578913
Energy: 1.9586238175516046
Energy: 2.0236265890167893
Energy: 1.9131074742790506
Energy: 1.9855103342399445
Energy: 2.121461146045016
Energy: 1.9016867940873923
Energy: 2.14873662315994
Energy: 1.929735603199635
Energy: 2.0172497640785694
Energy: 2.006829545162407
Energy: 1.9189582524051247
Energy: 2.07356711181996
Energy: 1.9459588057548365
Energy: 2.0172539120469066
Energy: 1.9280592051047831
Energy: 1.9598486136257711
Energy: 1.9247115367588488
Energy: 1.9292834950704423
Energy: 1.9433672005825005
Energy: 1.7395370107822206
Energy: 1.9185087162702366
Energy: 1.956011677572612
Energy: 1.9060363601052455
Energy: 1.7746294785725687
Energy: 1.7990737384981152
Energy: 1.9361654748220631
Energy: 1.9230327621248808
Energy: 1.9485097349052352
Energy: 1.8335136870290984
Energy: 1.9867472113939093
Energy: 1.8740133693080276
Energy: 1.8316102677170918
Energy: 2.051091942616605
Energy: 1.8386480427892542
Energy: 1.7074812543247022
Energy: 1.7922074078251442
Energy: 2.029944431229574
Energy: 1.9702117826884562
Energy: 1.7585559349345905
Energy: 1.814407666221909
Energy: 1.6834507726769652
Energy: 1.8209994065078727
Energy: 1.9200812679874617
Energy: 1.9795535079185695
Energy: 1.9757429914809492
Energy: 1.9993401955007357
Energy: 1.933279726134123
Energy: 1.8569080882171216
Energy: 1.9720485841019957
Energy: 1.8343058703321065
Energy: 1.8767469469939906
Energy: 1.912431144042579
Energy: 1.9155064573551615
Energy: 1.8700520810553123
Energy: 1.8785954449043587
Energy: 1.8077994053944797
Energy: 1.7759758702406951
Energy: 1.8946617581640959
Energy: 1.839859201919447
Energy: 1.7368750993463562
Energy: 1.850296873234758
Energy: 1.7092398412546446
Energy: 2.041120820776307
Energy: 1.9802555210730022
Energy: 2.0047577834568466
Energy: 1.91070136160875
Energy: 1.9225717535800118
Energy: 1.9542885075910736
Energy: 1.9290560332416344
Energy: 1.7008628109026578
Energy: 1.9015450253158066
Energy: 1.9380264110607044
Energy: 2.007620684281633
Energy: 1.8676885430534327
Energy: 1.787143011442923
Energy: 1.918566236990785
Energy: 1.8270526510497527
Energy: 1.9695941291130097
Energy: 1.8634530409936083
Energy: 1.803002190122588
Energy: 1.8346747603060094
Energy: 1.9465332797339074
Energy: 1.6691503820875597
Energy: 1.9477499474596658
Energy: 1.877622096779228
Energy: 1.8422519663210062
Energy: 1.7364713627222328
Energy: 1.8813125128026424
Energy: 1.8547490963181519
Energy: 1.8829471966326385
Energy: 1.8385155789342198
Energy: 1.7702763607135406
Energy: 1.88777699995674
Energy: 1.8615638068057478
Energy: 1.8563073824276983
Energy: 1.9183435243399312
Energy: 1.8715425983172769
Energy: 2.0968954041097083
Energy: 1.9127449889177626
Energy: 2.0320476538836854
Energy: 1.9113710660787826
Energy: 1.833206991573996
Energy: 1.970263098246449
Energy: 1.8280225291644043
Energy: 1.8862118831823338
Energy: 1.9448618515778384
Energy: 1.9295312314789197
Energy: 2.0084319690799246
Energy: 1.9374449152141318
Energy: 1.9233630718497607
Energy: 1.9856850831152024
Energy: 2.103710869916299
Energy: 1.8574291562388934
Energy: 2.1458232398500394
Energy: 2.0852101826826437
Energy: 2.0777497245821395
Energy: 2.0118083343703437
Energy: 1.912185271290438
Energy: 2.055431343803896
Energy: 1.9357642900297463
Energy: 2.0525046149438446
Energy: 2.0048473880879745
Energy: 2.0133973143838
Energy: 2.0959103681426576
Energy: 2.068709336900758
Energy: 2.040622425661359
Energy: 1.9556557578544547
Energy: 2.225374455678597
Energy: 1.9753492731522158
Energy: 1.8799225723507527
Energy: 2.1235047550936046
Energy: 2.0004115642359253
Energy: 2.0097668172581504
Energy: 1.9667753270116057
Energy: 2.151034314481302
Energy: 1.973263123036667
Energy: 1.9189021659253038
Energy: 2.0737764083134675
Energy: 1.8517427892071894
Energy: 2.003067444737683
Energy: 2.0709805887725823
Energy: 2.0455722895724553
Energy: 1.994965153027212
Energy: 1.9141952871292682
Energy: 2.020413546305112

minimum gb energy = 1.631182110041287 eV
minimum distance =  2.17216246799063 Angstroms
sigma value = 365


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

Energy: 1.7716690994836715
Energy: 1.7299834344487013
Energy: 1.7506731710397618
Energy: 1.7311557032719878
Energy: 1.7280304315420585
Energy: 1.7499974558001563
Energy: 1.7307401417550143
Energy: 1.6589295532507895
Energy: 1.9943048243321109
Energy: 1.707234000015552
Energy: 1.7109851908464573
Energy: 1.7104044331634702
Energy: 1.709846695945356
Energy: 1.9945030848654506
Energy: 1.7607602033715875
Energy: 1.9995491180673337
Energy: 1.7115747778536834
Energy: 1.7093174344616084
Energy: 1.7083256272825806
Energy: 1.7101298812158559
Energy: 1.727877617177472
Energy: 1.761956778074287
Energy: 1.9997988458486688
Energy: 1.7116029952859577
Energy: 1.710338738205468
Energy: 1.7095302856261332
Energy: 1.7116187770433882
Energy: 1.7317355185766803
Energy: 1.660321392483679
Energy: 1.9930527137643632
Energy: 1.6297626560126368
Energy: 1.9661651274677807
Energy: 1.7083152495212972
Energy: 1.6292260038849642
Energy: 1.9968707491796083
Energy: 1.7087895226041911
Energy: 1.9990024979228573
Energy: 1.7087920521001048
Energy: 1.7300937610893226
Energy: 1.7087607119717
Energy: 1.7107772525540055
Energy: 1.7296884198430669
Energy: 1.7617813508103155
Energy: 1.9938104403982193
Energy: 1.7116693353829655
Energy: 1.7099103426848867
Energy: 1.7092977286224924
Energy: 1.7103366376401483
Energy: 2.1469796725002364
Energy: 1.7605262399301818
Energy: 1.965240053777896
Energy: 1.7114985102575788
Energy: 1.7093539018310813
Energy: 1.7082639952048115
Energy: 1.7099456387789427
Energy: 1.9958852280773576
Energy: 1.761811043214329
Energy: 2.000148702511603
Energy: 1.7078399155234272
Energy: 1.7103015899064806
Energy: 1.7096072259123605
Energy: 1.7126232783432431
Energy: 1.7313777880562622
Energy: 1.6295743258190196
Energy: 1.993784836630283
Energy: 1.6288741196789192
Energy: 1.9665252539967728
Energy: 2.1474020295278486
Energy: 1.6289518866793753
Energy: 1.9958354435036672
Energy: 1.7611615441107447
Energy: 2.0004147567988544
Energy: 1.7079404768424145
Energy: 1.7099934242749808
Energy: 1.7106292088033759
Energy: 1.7102924669106818
Energy: 1.7308935271370345
Energy: 1.76008413810351
Energy: 1.99686999944281
Energy: 1.7109009874087497
Energy: 1.7090283804114343
Energy: 1.708474050690521
Energy: 1.7101743246263892
Energy: 1.994233957214695
Energy: 1.7618942033471654
Energy: 1.9936960533540395
Energy: 1.7077326382880582
Energy: 1.7105853245742795
Energy: 1.7096556688775655
Energy: 1.710917294356258
Energy: 1.9954415263263277
Energy: 1.7099940372072369
Energy: 1.9999359287820433
Energy: 1.7078580926392235
Energy: 1.7311493781948972
Energy: 1.7300985177720072
Energy: 1.708532903670984
Energy: 1.7319406493581282
Energy: 1.6590080513052345
Energy: 2.147390210018746
Energy: 1.629358874745548
Energy: 1.711921108823834
Energy: 1.7094686846359464
Energy: 1.7073011402380698
Energy: 1.9950379527930333
Energy: 1.7604281043163632
Energy: 2.0381526742532006
Energy: 1.712174725217676
Energy: 1.7100916085963884
Energy: 1.709366855710529
Energy: 1.7101627067914769
Energy: 1.727737719831405
Energy: 1.7606217213718929
Energy: 1.9968840225413007
Energy: 1.7118581689378576
Energy: 1.709361856076887
Energy: 1.7086935287760934
Energy: 1.7106142663910318
Energy: 1.728156195001262
Energy: 1.6588783567218122
Energy: 1.9938547891587923
Energy: 1.7072245939324888
Energy: 1.7111931052788465
Energy: 1.7116927373842081
Energy: 1.7069623401470808
Energy: 1.9951296940191734
Energy: 1.7288192505141609
Energy: 2.000645430619596
Energy: 1.710248461469531
Energy: 1.7309793437290963
Energy: 1.7289532642821301
Energy: 1.7094072535654377
Energy: 1.7301142748326566
Energy: 1.7121087632339604
Energy: 1.9937115057788544
Energy: 1.7073123449526497
Energy: 1.710592843385994
Energy: 1.7099515025473435
Energy: 1.7100169186832086
Energy: 1.995424430928728

minimum gb energy = 1.6288741196789192 eV
minimum distance =  2.21777130646456 Angstroms
sigma value = 23