Model name: model_name=EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_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=2.855324625968933
cohesive_energy=4.122759316665687
mass=55.845
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=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.01560667188078289
Energy: 1.4103980218262684
Energy: 1.583289137446439
Energy: 0.016200670837459345
Energy: 0.01639743336430269
Energy: 1.582022950485005
Energy: 0.015803848812923613
Energy: 0.16801783376599064
Energy: 0.20609603890839615
Energy: 0.37544134638367643
Energy: 0.16798647720175222
Energy: 0.3750870866583783
Energy: 0.37564311461648103
Energy: 0.1681870353503249
Energy: 0.16812664577721065
Energy: 0.37495110002099413
Energy: 0.3757767546498637
Energy: 0.1678507014675358
Energy: 0.375088718652376
Energy: 0.20506831971506667
Energy: 0.16778921707463548
Energy: 0.1692971809884908
Energy: 0.3756510455106189
Energy: 0.20565910162335793
Energy: 0.16804424221535577
Energy: 0.1690706324871004
Energy: 0.20536234288568486
Energy: 0.16742396804959236
Energy: 0.16753089378408345
Energy: 0.20519805968659183
Energy: 0.37703273723352726
Energy: 0.16870721932525284
Energy: 0.375041342170131
Energy: 0.20471783290140178
Energy: 0.1682705549349569
Energy: 0.015954596716607202
Energy: 0.2047206779364484
Energy: 0.37545751265962307
Energy: 0.016381803080050654
Energy: 0.016613857791911133
Energy: 0.3756355159017995
Energy: 0.1673597919224837

minimum gb energy = 0.01560667188078289 eV
minimum distance =  2.44044964823112 Angstroms
sigma value = 5


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

Energy: 2.361080746982185
Energy: 1.830273986214747
Energy: 1.7008279957028063
Energy: 1.2432824652846166
Energy: 1.2409510918786144
Energy: 2.097858917708898
Energy: 1.6131423449927824
Energy: 1.2802678858081962
Energy: 1.2961030627975836
Energy: 1.2683054079341054
Energy: 1.2695171200669524
Energy: 1.289631841452117
Energy: 1.2595970395315275
Energy: 1.3098605422932448
Energy: 1.227548858124052
Energy: 1.267132930744511
Energy: 1.259482793251083
Energy: 1.2574478684970192
Energy: 1.2781873167713156
Energy: 1.258599342688755
Energy: 1.263967445433965
Energy: 1.1936813285635806
Energy: 1.2420630895393245
Energy: 1.2681296704177019
Energy: 1.2309956113278606
Energy: 1.2633466450439703
Energy: 1.2876704753518733
Energy: 1.236109181467193
Energy: 1.2794301665610022
Energy: 1.2391264836374614
Energy: 1.2464378240175782
Energy: 1.2379908424490509
Energy: 1.253200312914964
Energy: 1.2492605956925213
Energy: 1.2317223365307652
Energy: 1.2571702505735867
Energy: 1.263165914553829
Energy: 1.2311602577978424
Energy: 1.2492780988547338
Energy: 1.2432010000734643
Energy: 1.228561026519069
Energy: 1.2520081439656505
Energy: 1.254348770952041
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Energy: 1.2620607880439842
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Energy: 1.2736371686893273
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Energy: 1.247248488722398
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Energy: 1.2770780905273542
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Energy: 1.183444483595429
Energy: 1.2447367625328294
Energy: 1.2455162246015903
Energy: 1.2400298446215177
Energy: 1.3086431147155206
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Energy: 1.2935780232115432
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Energy: 1.2286424739304052
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Energy: 1.2728213968937643
Energy: 1.2599116049983865
Energy: 1.2898575805794854
Energy: 1.2018251721451043
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Energy: 1.258765929293714
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Energy: 1.2656631916059493
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Energy: 1.376020904788499
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Energy: 1.2111611607380028
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Energy: 1.3334352784944248
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Energy: 1.277918751735093
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Energy: 1.315854052913291
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Energy: 1.2301732869969981
Energy: 1.2570385335210996
Energy: 1.2170036387361394
Energy: 1.2555314755201707
Energy: 1.2647825264893906
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Energy: 1.1900229935214464
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Energy: 1.190210500163422
Energy: 1.2417587563351038
Energy: 1.2049486013562363
Energy: 1.1825249939611233
Energy: 1.1957788713836626
Energy: 1.217439034554655
Energy: 1.1907876185336892
Energy: 1.190437818948582
Energy: 1.2157173588139074
Energy: 1.2157163123277628
Energy: 1.3110447113617725
Energy: 1.2677886739930044
Energy: 1.2162205555616656
Energy: 1.2787729645689692
Energy: 1.2624546060008655
Energy: 1.2548214376217717
Energy: 1.264187698958875
Energy: 1.2093684496635424
Energy: 1.2482615714275551
Energy: 1.2616613940801353
Energy: 1.2137441441782628
Energy: 1.254634912162286
Energy: 1.280958697396818
Energy: 1.2188260411637677
Energy: 1.2198556433355714
Energy: 1.2581231922771743
Energy: 1.26055699454516
Energy: 1.2529440649800798
Energy: 1.3012987610994657
Energy: 1.259534888954197
Energy: 1.2573639490026367
Energy: 1.2888646343173589
Energy: 1.2710723034111622
Energy: 1.3171970043499734
Energy: 1.2798547345746514
Energy: 1.2782003858129694
Energy: 1.3146538193402457
Energy: 1.2798389201091578
Energy: 1.2579629978828097
Energy: 1.305161027216336
Energy: 1.2324080603204912
Energy: 1.2494664351242095
Energy: 1.2492077499787713
Energy: 1.2223620852242159
Energy: 1.2962254825450183

minimum gb energy = 1.1460217714119318 eV
minimum distance =  2.25544477801677 Angstroms
sigma value = 401


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

Energy: 1.9883029456405603
Energy: 1.8314317593266332
Energy: 1.390651633667859
Energy: 1.5231976174512445
Energy: 1.5236032326186166
Energy: 1.3503131977305411
Energy: 1.663553369341401
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Energy: 1.37460525000924
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Energy: 1.278999472265897
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Energy: 1.2791907731595462
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Energy: 1.3871108952812659
Energy: 1.3279059780667564
Energy: 1.3246805533430535
Energy: 1.3620177855029958
Energy: 1.3864678550227203
Energy: 1.3146132281403875
Energy: 1.3575310534763745
Energy: 1.3464522882312957
Energy: 1.2305418799775703
Energy: 1.2726912674049606
Energy: 1.2955903634777823
Energy: 1.296911735934781
Energy: 1.2913770564323848
Energy: 1.303336943431937
Energy: 1.4071183895760049
Energy: 1.678063310696521
Energy: 1.6536652804655099
Energy: 1.4179849901754913
Energy: 1.30398081561076
Energy: 1.6524361148595605
Energy: 1.4536837667988678
Energy: 1.3439380573783302
Energy: 1.2747564084382368
Energy: 1.2749630785414412
Energy: 1.2904568038422275
Energy: 1.2986051867165946
Energy: 1.2759923627236047
Energy: 1.333565294709429
Energy: 1.448984183999486
Energy: 1.367951750184706
Energy: 1.3168612249043676
Energy: 1.384050599860055
Energy: 1.422046259432589
Energy: 1.3425487379636383
Energy: 1.3833668983620238
Energy: 1.5108735880315491
Energy: 1.3474998270619172
Energy: 1.3384700690428941
Energy: 1.4646173385070247
Energy: 1.410411161349502
Energy: 1.3376923679630752
Energy: 1.3750322017865015
Energy: 1.4710253635085786
Energy: 1.3573765526952735
Energy: 1.33474626932435
Energy: 1.3694142549841377
Energy: 1.2967251046062147
Energy: 1.3400768654063426
Energy: 1.3920963279949683
Energy: 1.2671125368256435
Energy: 1.2503230145877098
Energy: 1.2773193707400405
Energy: 1.2969442968834903
Energy: 1.2746652603783468
Energy: 1.299574563901125
Energy: 1.2925376890468983
Energy: 1.2637068902337782
Energy: 1.2590871291943886
Energy: 1.2842641604303793
Energy: 1.2763062599984396
Energy: 1.2675676108022766
Energy: 1.2640464802760616
Energy: 1.2685766615475897
Energy: 1.2610067433953887
Energy: 1.2346748412495134
Energy: 1.3239452123841087
Energy: 1.2623647378581748
Energy: 1.2241012791488224
Energy: 1.2770112241721618
Energy: 1.2758153719252114
Energy: 1.2968098719403298
Energy: 1.228170926667544
Energy: 1.3284743982797165
Energy: 1.2241860494228651
Energy: 1.2575466333063947
Energy: 1.3571103450974582
Energy: 1.2204309013220906
Energy: 1.3317269308780015
Energy: 1.2510152844279967
Energy: 1.2875538196511418
Energy: 1.2032388420769875
Energy: 1.2435905825648386
Energy: 1.4223114117254283
Energy: 1.3651334444629921
Energy: 1.2144866596164041
Energy: 1.1843907036947976
Energy: 1.2734900123640802
Energy: 1.2159423762353685
Energy: 1.229217587155681
Energy: 1.2609848905255145
Energy: 1.216076985063402
Energy: 1.2278414589508422
Energy: 1.221831954398585
Energy: 1.26790306779885
Energy: 1.1616673561676507
Energy: 1.182771620032176
Energy: 1.228197933413814
Energy: 1.2049078095953163

minimum gb energy = 1.1611367386686446 eV
minimum distance =  2.24998991632972 Angstroms
sigma value = 311


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

Energy: 1.6035971288485429
Energy: 1.4809030547474646
Energy: 1.4514098877456474
Energy: 1.4424033695794347
Energy: 1.3671936197571999
Energy: 1.479226322566143
Energy: 1.6666198712345723
Energy: 1.2537293235468017
Energy: 1.2227682508060302
Energy: 1.269891181356022
Energy: 1.202459318265808
Energy: 1.2925562041033474
Energy: 1.296733357457729
Energy: 1.2992135754078533
Energy: 1.2057554928332979
Energy: 1.1923646376673809
Energy: 1.210691756281709
Energy: 1.2262660298869679
Energy: 1.2064140117670084
Energy: 1.2497245563588524
Energy: 1.2541778189531267
Energy: 1.2696868071450333
Energy: 1.1832604398015423
Energy: 1.2033867434989056
Energy: 1.2827028193157644
Energy: 1.3127399844426837
Energy: 1.3820095951802223
Energy: 1.3149895158543035
Energy: 1.2024550467127249
Energy: 1.3071568552523543
Energy: 1.2709006413876323
Energy: 1.25547557300903
Energy: 1.2225501253405577
Energy: 1.262267398847524
Energy: 1.2953231650067032
Energy: 1.3678932703731579
Energy: 1.371780904558044
Energy: 1.3681034675458135
Energy: 1.3509946227350116
Energy: 1.3715870890442057
Energy: 1.3694282831655653
Energy: 1.3814371622234751
Energy: 1.3532835553869358
Energy: 1.3610120208658472
Energy: 1.3466256833492367
Energy: 1.3820894901859548
Energy: 1.350607039344283
Energy: 1.3435363945320697
Energy: 1.3621015301222459
Energy: 1.2925088514028735
Energy: 1.238593784925936
Energy: 1.3436212912973553
Energy: 1.3327727089520196
Energy: 1.311881707092574
Energy: 1.316650791884046
Energy: 1.3342745187598184
Energy: 1.3860188190135423
Energy: 1.2703640664593965
Energy: 1.2340235426093096
Energy: 1.3595214736872119
Energy: 1.2618347581819833
Energy: 1.2805638117287939
Energy: 1.3279975431649917
Energy: 1.3719222921078138
Energy: 1.3172929427432274
Energy: 1.3641311477365337
Energy: 1.3962405193182845
Energy: 1.3253496993885234
Energy: 1.2927526633215938
Energy: 1.3877173565449354
Energy: 1.280882405322156
Energy: 1.2828305030297993
Energy: 1.2658752105008637
Energy: 1.2464508393179667
Energy: 1.2606582978984848
Energy: 1.2321128291063446
Energy: 1.3026278011401595
Energy: 1.3392837460359317
Energy: 1.3215080363509963
Energy: 1.3994766364876459
Energy: 1.3477023898086822
Energy: 1.3293840830279524
Energy: 1.2915187802442414
Energy: 1.3419289282206808
Energy: 1.3229249674920094
Energy: 1.3572139802107377
Energy: 1.3964591900877172
Energy: 1.392037530108281
Energy: 1.3465928036671302
Energy: 1.401978923166881
Energy: 1.3915757536545659
Energy: 1.2697621003973103
Energy: 1.2577867305346484
Energy: 1.2452102080008913
Energy: 1.2583252691521036
Energy: 1.256266971278851
Energy: 1.2894151796926334
Energy: 1.264497688185747
Energy: 1.2780101344653338
Energy: 1.2903310729316548
Energy: 1.332036137951637
Energy: 1.3037083111616747
Energy: 1.3093016432963693
Energy: 1.3236364507554679
Energy: 1.321584436336992
Energy: 1.3540924877206086
Energy: 1.310441448521801
Energy: 1.330371134567346
Energy: 1.354778291986864
Energy: 1.383606451412314
Energy: 1.3367368641379667
Energy: 1.2891325893873802
Energy: 1.2858810723088197
Energy: 1.297128576487758
Energy: 1.3272086907805793
Energy: 1.2568620250897753
Energy: 1.287612382616944
Energy: 1.327108455919011
Energy: 1.278634487880719
Energy: 1.3288389764741004
Energy: 1.3938778462822936
Energy: 1.3969945025251516
Energy: 1.3457497379827208
Energy: 1.3884877719290833
Energy: 1.3982999750784828
Energy: 1.3440996143547639
Energy: 1.332413173365544
Energy: 1.3572415556592914
Energy: 1.3757775503328522
Energy: 1.325755479949985
Energy: 1.338235503240134
Energy: 1.372166745425574
Energy: 1.2950095119428942
Energy: 1.2844829286178852
Energy: 1.2848852991718929
Energy: 1.2987673222745044
Energy: 1.2315344961598111
Energy: 1.2741180186397292
Energy: 1.2577344060813362
Energy: 1.2854444633409787
Energy: 1.3362237673988477
Energy: 1.3728448460321812
Energy: 1.3533162684265354
Energy: 1.359189126909924
Energy: 1.2698180173130742
Energy: 1.3570740549046487
Energy: 1.3333512616381005
Energy: 1.3393412488670975
Energy: 1.2901854879709078
Energy: 1.3359130418216316
Energy: 1.302581634056159
Energy: 1.2881462641870725
Energy: 1.3309938931496414
Energy: 1.4004774208304573
Energy: 1.269597417695082
Energy: 1.2584456053418984
Energy: 1.3247577385047924
Energy: 1.3396562716513736
Energy: 1.327705981051649
Energy: 1.3568330000217221
Energy: 1.3245113288206307
Energy: 1.3531266697273094
Energy: 1.362446328973004
Energy: 1.407727699575526
Energy: 1.3605266648682253
Energy: 1.3377141525289897
Energy: 1.39166616865884
Energy: 1.395362272145839
Energy: 1.3806039732541966
Energy: 1.358921829867354
Energy: 1.4037895384890826
Energy: 1.3978226246422254
Energy: 1.3459801378242553
Energy: 1.3948466918359685
Energy: 1.41423024767173
Energy: 1.2491165791231769
Energy: 1.2627955325106726
Energy: 1.285991695399535
Energy: 1.2446021141297914
Energy: 1.2514559610094522
Energy: 1.2309320310436145
Energy: 1.269253016139844
Energy: 1.3455564388043997
Energy: 1.2781584366469443
Energy: 1.2796343556520906
Energy: 1.3597230838731675
Energy: 1.3019977174428872
Energy: 1.3089743790738304
Energy: 1.3925694156808093
Energy: 1.3043668955853225
Energy: 1.2999918583668124
Energy: 1.3204627261390942
Energy: 1.2954122018606014
Energy: 1.276296096972662
Energy: 1.28503516939284
Energy: 1.3836412883524887
Energy: 1.3452006489269699
Energy: 1.2540748822058052
Energy: 1.2573408626308704
Energy: 1.3621223751807072
Energy: 1.327074932784426
Energy: 1.3200656919524898
Energy: 1.3332976305828104
Energy: 1.3523890432301513
Energy: 1.364403641705497
Energy: 1.3766665029612526
Energy: 1.4015001217544347
Energy: 1.3476028198514955
Energy: 1.3456232154991912
Energy: 1.363254910919138
Energy: 1.3495059019648745
Energy: 1.3285575466702986
Energy: 1.335087254552537
Energy: 1.359834054945651
Energy: 1.3408277821280838
Energy: 1.3170878415896143
Energy: 1.331672731903505
Energy: 1.3048099461492955
Energy: 1.2591136892885784
Energy: 1.2539799584824949
Energy: 1.2430402532058107
Energy: 1.193337564824889
Energy: 1.228469041233253
Energy: 1.32163802115546
Energy: 1.3868759600150424
Energy: 1.4814786373998003
Energy: 1.4013397500773226
Energy: 1.3878739676392347
Energy: 1.3498454238957722
Energy: 1.2489030697180175
Energy: 1.3496108424130169
Energy: 1.2426701096136026
Energy: 1.2065496066924841
Energy: 1.2105724786690377
Energy: 1.223682349871558
Energy: 1.3472756827588577
Energy: 1.243604783655163
Energy: 1.2642463828527186
Energy: 1.3036282504904242
Energy: 1.2727720506017237
Energy: 1.2755076982363307
Energy: 1.2753547902748321
Energy: 1.2688388201512952
Energy: 1.3743191130586232
Energy: 1.3070756624462219
Energy: 1.3865032916764597
Energy: 1.3468717880347139
Energy: 1.3351762332531318
Energy: 1.3358271860997235
Energy: 1.3769088905408253
Energy: 1.375997395158465
Energy: 1.3798827775740647

minimum gb energy = 1.1832604398015423 eV
minimum distance =  2.23736583094448 Angstroms
sigma value = 39


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

Energy: 1.433026526647679
Energy: 1.292943059969822
Energy: 1.5357850526247516
Energy: 1.4367640357925333
Energy: 1.4371424190431996
Energy: 1.3178507212576234
Energy: 1.4364599917470726
Energy: 1.2848280543511328
Energy: 1.1889310894555087
Energy: 1.3383947803877243
Energy: 1.2527763244349295
Energy: 1.1886671975547625
Energy: 1.1837041502337953
Energy: 1.2531447654014891
Energy: 1.2526328600777428
Energy: 1.151994552040909
Energy: 1.1961950165084052
Energy: 1.2666941270946945
Energy: 1.1845224689401155
Energy: 1.179917288921671
Energy: 1.2670012244794355
Energy: 1.272307454138905
Energy: 1.1747071206990676
Energy: 1.279297139268481
Energy: 1.251582067566314
Energy: 1.2375429089786654
Energy: 1.1349162312324803
Energy: 1.347892817863085
Energy: 1.3667045251475625
Energy: 1.1510466758939257
Energy: 1.1985020702509563
Energy: 1.266771578722482
Energy: 1.2027300941550194
Energy: 1.1885461250804483
Energy: 1.195777707991551
Energy: 1.1964878450058458
Energy: 1.1939299516964235
Energy: 1.1711736888858613
Energy: 1.2180431448680589
Energy: 1.1957203686556923
Energy: 1.170888669012244
Energy: 1.2198733347093729
Energy: 1.1836841385710566
Energy: 1.1996222766409739
Energy: 1.1867163829853502
Energy: 1.2226358173150011
Energy: 1.2044449961760504
Energy: 1.203312735378021
Energy: 1.2346648603189954
Energy: 1.196101416329551
Energy: 1.182887628474674
Energy: 1.1954495724976637
Energy: 1.2200974842757664
Energy: 1.2152340867537503
Energy: 1.1944603744306845
Energy: 1.2203627720396715
Energy: 1.1967158787949894
Energy: 1.2332616525032507
Energy: 1.359623214066642
Energy: 1.2543699525435554
Energy: 1.1997123436955215
Energy: 1.3597247042697556
Energy: 1.2545704488142346
Energy: 1.2790378220757457
Energy: 1.2338651869797266
Energy: 1.3198520959730933
Energy: 1.2732130190852
Energy: 1.2885364988060686
Energy: 1.339771054050083
Energy: 1.2764518595130714
Energy: 1.1934785234844403
Energy: 1.1812566338798953
Energy: 1.1823304511498995
Energy: 1.252334516299779
Energy: 1.1903486954592137
Energy: 1.1825413325657934
Energy: 1.26583693215259
Energy: 1.3477801718062614
Energy: 1.1799826369410193
Energy: 1.2060001939711817
Energy: 1.2537503697108705
Energy: 1.3389135048400036
Energy: 1.188371622563493
Energy: 1.2526426075865282
Energy: 1.274444008629516
Energy: 1.2193707748625562
Energy: 1.4360131483324365
Energy: 1.4609994784837856
Energy: 1.2196913839162191
Energy: 1.1450934512401254
Energy: 1.4606679246686463
Energy: 1.2521769345676321
Energy: 1.1826181719308826
Energy: 1.1958170654079538
Energy: 1.2659066740922662
Energy: 1.182520489542747
Energy: 1.1801348558072933
Energy: 1.2537338707292507
Energy: 1.2325871014394172
Energy: 1.1890042549919226
Energy: 1.3772294013769621
Energy: 1.2536912407114855
Energy: 1.1953031349834415
Energy: 1.3193087105275052
Energy: 1.2538639292152889
Energy: 1.4328728293922486
Energy: 1.2895113129536853
Energy: 1.1834599325859936
Energy: 1.4359760243557345
Energy: 1.4373414419338997
Energy: 1.423692679943911
Energy: 1.4359263695139322
Energy: 1.2702387097114438
Energy: 1.1813333583798082
Energy: 1.1843703077473131
Energy: 1.2525540471621357
Energy: 1.188324511835922
Energy: 1.1837334518798568
Energy: 1.2530965263770606
Energy: 1.2531076158956496
Energy: 1.153129070039146
Energy: 1.1964146547529388
Energy: 1.2668356959283564
Energy: 1.1829625970213897
Energy: 1.1800430458105167
Energy: 1.2671141679330302
Energy: 1.2673118036489723
Energy: 1.1747444706991816
Energy: 1.2797781874993772
Energy: 1.2514902051512464
Energy: 1.2374864156840846
Energy: 1.1347568514736643
Energy: 1.3487332494169746
Energy: 1.367340809460502
Energy: 1.1510185023825232
Energy: 1.1989180016732528
Energy: 1.254245589452076
Energy: 1.203269487985028
Energy: 1.1890550061926413
Energy: 1.1961415852755994
Energy: 1.195920849051376
Energy: 1.1936916461497393
Energy: 1.1712111959164258
Energy: 1.2182376026601445
Energy: 1.195576420034781
Energy: 1.1720663911102251
Energy: 1.2196341425458836
Energy: 1.185283169993944
Energy: 1.19906069161566
Energy: 1.1865673885499084
Energy: 1.222566507994069
Energy: 1.207801002177482
Energy: 1.2032920129073192
Energy: 1.2377919976868388
Energy: 1.1959425520803102
Energy: 1.183171008458087
Energy: 1.1956769040967115
Energy: 1.2199173217537875
Energy: 1.1854468096600677
Energy: 1.1945055439619114
Energy: 1.2202827253083244
Energy: 1.197108833854629
Energy: 1.232966001692535
Energy: 1.3596778715290092
Energy: 1.25437410639833
Energy: 1.2938925146782396
Energy: 1.359287865905301
Energy: 1.2792003999089947
Energy: 1.2891874855719025
Energy: 1.233355686607741
Energy: 1.3199545906814831
Energy: 1.2623681594055098
Energy: 1.288984939739448
Energy: 1.3466179261104583
Energy: 1.2761907435924404
Energy: 1.1956258628352245
Energy: 1.1805566914406456
Energy: 1.182221045988436
Energy: 1.2523498472717143
Energy: 1.1904112538849847
Energy: 1.1823710649470411
Energy: 1.26614898769727
Energy: 1.3474573450832321
Energy: 1.182851186688141
Energy: 1.1956966742689334
Energy: 1.253894507130357
Energy: 1.181516578288468
Energy: 1.1883976367702638
Energy: 1.3723428892628444
Energy: 1.2744931091752894
Energy: 1.2193705332552776
Energy: 1.434916093020072
Energy: 1.3510281414691723
Energy: 1.2198366979299562
Energy: 1.141075630673412
Energy: 1.461466094461625
Energy: 1.2522557983073017
Energy: 1.1824252270307256
Energy: 1.1958094647963249
Energy: 1.2656150113917228
Energy: 1.1820833701470062
Energy: 1.1800883825061739
Energy: 1.2538230809019717
Energy: 1.231681133742079
Energy: 1.189875673644272
Energy: 1.3768646682125085
Energy: 1.2531519464159944
Energy: 1.1961456123307006
Energy: 1.3192930328881483
Energy: 1.2539623224705094

minimum gb energy = 1.1347568514736643 eV
minimum distance =  2.2451718968569 Angstroms
sigma value = 21


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

Energy: 1.6589900949142544
Energy: 1.101112285825237
Energy: 1.1464957799065747
Energy: 1.2578524487992828
Energy: 1.174129742573582
Energy: 1.1845655405068733
Energy: 1.1742549192462224
Energy: 1.2575219352233367
Energy: 1.2010446952583416
Energy: 1.1810917918655146
Energy: 1.2475606606309808
Energy: 1.2199893424696666
Energy: 1.1790581646449907
Energy: 1.2127360624609165
Energy: 1.1993237702872195
Energy: 1.1547640522989264
Energy: 1.1570764627489782
Energy: 1.1927514770164231
Energy: 1.2040926021677834
Energy: 1.156203767413638
Energy: 1.2162881507639205
Energy: 1.2043893110323416
Energy: 1.214182020728785
Energy: 1.1011157056162786
Energy: 1.2178115744353237
Energy: 1.1997111227192976
Energy: 1.1007184284434277
Energy: 1.2265951351744724
Energy: 1.1130185529171808
Energy: 1.1282766755872817
Energy: 1.177337759664568
Energy: 1.141203744540719
Energy: 1.1386621060460833
Energy: 1.1001656106302946
Energy: 1.1775669647160643
Energy: 1.1123391071834898
Energy: 1.1607155288104067
Energy: 1.1630288438527119
Energy: 1.1267855591541522
Energy: 1.1606870293358358
Energy: 1.1268651956836766
Energy: 1.1652000560949787
Energy: 1.1070670334398727
Energy: 1.1217273086141477
Energy: 1.0866800564000125
Energy: 1.1641113786161938
Energy: 1.1210981059520981
Energy: 1.1614452707174852
Energy: 1.1219089344548778
Energy: 1.101713743656331
Energy: 1.1215245720653584
Energy: 1.1651985252835915
Energy: 1.1136858233983735
Energy: 1.120880086105896
Energy: 1.173284901163639
Energy: 1.1314558846313771
Energy: 1.0707166535817993
Energy: 1.083610610809526
Energy: 1.1472413428944923
Energy: 1.0933765700576366
Energy: 1.0731918946978014
Energy: 1.1664233740909797
Energy: 1.0930823635475457
Energy: 1.0780708119847455
Energy: 1.0714785328045806
Energy: 1.1499553750399905
Energy: 1.1104794223373393
Energy: 1.0681282409078325
Energy: 1.1482703361980269
Energy: 1.099705717845672
Energy: 1.1098293230391059
Energy: 1.107200535528294
Energy: 1.1433517270411324
Energy: 1.1283929979352127
Energy: 1.1081170403291443
Energy: 1.143774109563974
Energy: 1.1173451264571606
Energy: 1.1210317842532576
Energy: 1.151396239946102
Energy: 1.1363114003316754
Energy: 1.1257299652791297
Energy: 1.1433181924056774
Energy: 1.1285964263545427
Energy: 1.1277529173451195
Energy: 1.1023857831547172
Energy: 1.1469382344325438
Energy: 1.060558715630081
Energy: 1.0943992866270364
Energy: 1.1506280613485536
Energy: 1.0639905432778471
Energy: 1.0923533420846347
Energy: 1.12229821483512
Energy: 1.1653417216951005
Energy: 1.0614694065825092
Energy: 1.1036639457631985
Energy: 1.1448277104478521
Energy: 1.0610254826719572
Energy: 1.0891911530691618
Energy: 1.1224752434788412
Energy: 1.1581619214479362
Energy: 1.1010338699732996
Energy: 1.098148651018084
Energy: 1.1460950696577301
Energy: 1.1216292857412151
Energy: 1.109733041267788
Energy: 1.170557072277769
Energy: 1.1530097367440042
Energy: 1.121207264768879
Energy: 1.1359618801639506
Energy: 1.144558957357179
Energy: 1.1213433013183747
Energy: 1.1352295575979705
Energy: 1.1543285413904476
Energy: 1.1409562319370603
Energy: 1.100976820400747
Energy: 1.1459608355498794
Energy: 1.1806707692964715
Energy: 1.1220625007452376
Energy: 1.1596242606076521
Energy: 1.176533403171839
Energy: 1.1590131439009057
Energy: 1.1380236726609418
Energy: 1.1589328250542172
Energy: 1.155535848589999
Energy: 1.1388134915141617
Energy: 1.1411852377249683
Energy: 1.180245445813005
Energy: 1.101390551859912
Energy: 1.1977866824391976
Energy: 1.163454092250875
Energy: 1.1011577165761326
Energy: 1.1242227903569506
Energy: 1.201360079039752
Energy: 1.1786045628991544
Energy: 1.1551315443353949
Energy: 1.2183575248446104
Energy: 1.22639492920963
Energy: 1.154624286872809
Energy: 1.1590975957513088
Energy: 1.2182452909913741
Energy: 1.1762540348559225
Energy: 1.1849561579518428
Energy: 1.1978946288804533
Energy: 1.23115239664925
Energy: 1.2042924585364738
Energy: 1.1581210254562493
Energy: 1.2317850265841572
Energy: 1.2539283171808666
Energy: 1.158331114322201
Energy: 1.2464375376600259
Energy: 1.2289442221101627
Energy: 1.1617338983686638
Energy: 1.1741976067463278
Energy: 1.24531539499897
Energy: 1.2433176262958203
Energy: 1.2039606939864198
Energy: 1.2476411731072137
Energy: 1.2287938714837205
Energy: 1.1996635070252628
Energy: 1.1010720366492506
Energy: 1.2451190485724104
Energy: 1.2372636030657604
Energy: 1.1792758465162954
Energy: 1.1991460761287398
Energy: 1.2299357856714543
Energy: 1.2015065975660841
Energy: 1.18102771825361
Energy: 1.2317663674499275
Energy: 1.2578007159523905
Energy: 1.2016865015952316
Energy: 1.2233977015787878
Energy: 1.223449528555967
Energy: 1.246269516379301
Energy: 1.1822902191878502
Energy: 1.2126943671150896

minimum gb energy = 1.060558715630081 eV
minimum distance =  2.24533630960432 Angstroms
sigma value = 113


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

Energy: 1.653223516991796
Energy: 1.0382880294496357
Energy: 1.0576079954704616
Energy: 1.1734417445681709
Energy: 1.1739129627084206
Energy: 1.1011095259734995
Energy: 1.2152057216132766
Energy: 1.1049396034089634
Energy: 1.0431393293326852
Energy: 1.0637106863088635
Energy: 1.0601458463134241
Energy: 1.0474587281824865
Energy: 1.0558060205300346
Energy: 1.0410743281144166
Energy: 1.0889529535470754
Energy: 1.0151548015856624
Energy: 1.0613664018851776
Energy: 1.0471363374227796
Energy: 1.0280909923746715
Energy: 1.0512948254163834
Energy: 1.0633335923891039
Energy: 0.9972136935364811
Energy: 1.0135926174912488
Energy: 1.0091735286332921
Energy: 0.9927207659697611
Energy: 0.9838675535898104
Energy: 1.0102158549338445
Energy: 1.0844424088029652
Energy: 0.9491856386413607
Energy: 1.0005438889629585
Energy: 1.0499890867032615
Energy: 1.021078909389803
Energy: 0.9936503914623355
Energy: 1.0082569003429576
Energy: 1.0403304310064785
Energy: 1.0084349447218197
Energy: 0.9969742770806372
Energy: 1.0300291733785474
Energy: 1.0193589830291023
Energy: 0.9923695922425905
Energy: 1.0204007145291343
Energy: 1.0319470562836843
Energy: 1.01307295151018
Energy: 1.1101225025820667
Energy: 0.9926163981277448
Energy: 1.0008774669959886
Energy: 0.9932257653455958
Energy: 1.024892881399196
Energy: 1.0040413673252768
Energy: 1.0122287981664606
Energy: 1.1312022174130354
Energy: 1.0094654254154587
Energy: 0.988439994747576
Energy: 1.0145535029373833
Energy: 1.0136435398533505
Energy: 0.9954581237510676
Energy: 0.9975861868928894
Energy: 0.9873235045375843
Energy: 0.9961586509571685
Energy: 0.9738631924789287
Energy: 0.98304434026671
Energy: 0.9939959862182676
Energy: 0.9751789258396738
Energy: 0.9525964303086486
Energy: 0.9747229046673874
Energy: 0.9648508779852083
Energy: 0.9681752690063435
Energy: 0.9754517551834312
Energy: 1.0038181671749928
Energy: 0.9726089518068527
Energy: 0.9785041869066659
Energy: 1.0115434545844804
Energy: 1.0131347239968458
Energy: 0.9751671153376964
Energy: 0.9753246903154965
Energy: 1.01792109221965
Energy: 0.9553901358887835
Energy: 0.9852678178139577
Energy: 0.9738053072900172
Energy: 0.9606506994907055
Energy: 0.9587738467359861
Energy: 0.97210973225885
Energy: 0.9603964561715073
Energy: 0.9588150647412744
Energy: 0.969945244125411
Energy: 0.9897966751430898
Energy: 0.929998788725495
Energy: 0.9517392763544765
Energy: 1.0015529252215274
Energy: 0.9328217509942915
Energy: 0.9514416463455576
Energy: 0.9704418262154889
Energy: 0.9473542621599629
Energy: 0.9299115305814465
Energy: 0.9490718269336911
Energy: 0.9973764508467214
Energy: 0.9199685907934688
Energy: 0.9522334566196327
Energy: 0.9895568654757657
Energy: 0.9455834519304567
Energy: 0.9388275299957946
Energy: 0.9504798078169078
Energy: 0.9479795519595473
Energy: 0.9391048182752282
Energy: 0.9542980895143333
Energy: 0.9291121053179281
Energy: 0.9273424274573492
Energy: 0.9409641588869999
Energy: 0.9529263911666648
Energy: 0.9348340977417127
Energy: 0.9417705031519319
Energy: 0.9546288437702766
Energy: 0.9275673001320743
Energy: 0.9328429887863455
Energy: 0.9454363362757608
Energy: 0.9492960405815237
Energy: 0.934240750704116
Energy: 0.9469974465106575
Energy: 0.9455887729840015
Energy: 0.9611180839166273
Energy: 0.9402909912260963
Energy: 0.964099999727008
Energy: 0.9535309148582755
Energy: 0.9376701081669816
Energy: 0.9563602109051726
Energy: 0.9625611393846935
Energy: 0.9952925877483565
Energy: 0.9370476725828286
Energy: 0.9571295136163595
Energy: 0.9459382927902228
Energy: 0.9363792481850896
Energy: 0.956264706280159
Energy: 0.9519663067358094
Energy: 0.914004746732278
Energy: 0.9105765122193468
Energy: 0.9645316454174246
Energy: 0.9278214773712685
Energy: 0.9057022429147646
Energy: 0.9628487547533245
Energy: 0.9265125239048966
Energy: 0.9436309794197195
Energy: 0.9481966384564835
Energy: 0.9547604982479813
Energy: 0.9364612342180729
Energy: 0.954044663193821
Energy: 0.9543290877498853
Energy: 0.9393753277788578
Energy: 0.9509465208426799
Energy: 0.9577349981490951
Energy: 0.956906430599435
Energy: 0.9376822391064424
Energy: 0.9547490236343289
Energy: 0.9556032786873753
Energy: 0.9391711756480836
Energy: 0.9440590667681082
Energy: 0.9668867023866315
Energy: 0.9019579590113269
Energy: 0.9300785957321135
Energy: 0.9608129419311453
Energy: 0.9055236887659025
Energy: 0.9263185533639541
Energy: 0.9667152404131221
Energy: 0.9940759227998895
Energy: 0.93622316809351
Energy: 0.9467147446289766
Energy: 0.9546683482001964
Energy: 0.9350573479438905
Energy: 0.973550478324294
Energy: 0.976935981776928
Energy: 0.9618828350053078
Energy: 0.940191161870006
Energy: 0.9584082708397703
Energy: 0.9695131394507828
Energy: 0.9389335891022366
Energy: 0.9477065297604758
Energy: 0.9552880619281531
Energy: 0.9354834395943299
Energy: 0.9368988159195998
Energy: 0.9468766525334088
Energy: 0.9428154333391268
Energy: 0.9356851187946039
Energy: 0.9441451033011402
Energy: 0.9479090597074304
Energy: 0.9344638033401984
Energy: 0.9249563583107853
Energy: 0.9530700748544598
Energy: 0.9434008738569631
Energy: 0.9217787520919188
Energy: 0.9430779838402018
Energy: 0.9660419896389988
Energy: 0.9428760429234609
Energy: 0.9364357889593291
Energy: 0.9725992549230974
Energy: 0.9369420319663866
Energy: 0.9488185741091983
Energy: 0.9708950917003897
Energy: 0.9424107590439232
Energy: 0.9337773471789912
Energy: 0.9992573746503091
Energy: 0.9512914501047945
Energy: 0.9299544191501994
Energy: 0.9987460279388697
Energy: 0.9490432261147872
Energy: 0.9422530687046493
Energy: 0.9367534777205072
Energy: 1.0037282817254407
Energy: 0.9506067642225677
Energy: 0.9312621574738813
Energy: 0.9895534832916966
Energy: 0.9555871111372598
Energy: 0.975405522005965
Energy: 0.9545945189520472
Energy: 0.9753767626246859
Energy: 0.9579903261099111
Energy: 0.9604594770234397
Energy: 0.9721065448017113
Energy: 0.9567019526048591
Energy: 0.9840630732924407
Energy: 1.006693391215869
Energy: 0.9753521734781685
Energy: 0.9627832910024207
Energy: 1.011802325538222
Energy: 0.9920492016681433
Energy: 0.9890576140667059
Energy: 0.9708426072612483
Energy: 1.0077487086514054
Energy: 0.9901546487178732
Energy: 0.9671824437920504
Energy: 1.0070327602234204
Energy: 0.9741772835496696
Energy: 0.9890515442377732
Energy: 0.9983986294544064
Energy: 0.9973963128787486
Energy: 0.9907078457325145
Energy: 0.9745224746613339
Energy: 0.9947019892641706
Energy: 1.0061808025880106
Energy: 0.9758061679138628
Energy: 1.0103839896604765
Energy: 1.0281570559235034
Energy: 1.0154217988115275
Energy: 0.9969597198992942
Energy: 0.9903832266360111
Energy: 1.0157187148140412
Energy: 0.9786459668145533
Energy: 1.0088571103890815
Energy: 1.0114987006467164
Energy: 0.9931322660378267
Energy: 0.960121857405891
Energy: 1.0570711715649959
Energy: 0.9929754882216926
Energy: 1.0071822273255135
Energy: 1.0473554975038406
Energy: 1.0128010509662748
Energy: 0.9932411726448271
Energy: 1.017473724425211
Energy: 1.0215107360260818
Energy: 1.0018567190995542
Energy: 1.0193887344541086
Energy: 1.0917879493629061
Energy: 1.0100287933302272
Energy: 1.0210883660129215
Energy: 1.0340276311030636
Energy: 1.0093041413980417
Energy: 1.001968057828003
Energy: 1.055509736202808
Energy: 1.0904882491914252
Energy: 1.1267738696900427
Energy: 1.1418229815957073
Energy: 1.0271317996592575
Energy: 1.0094236433961403
Energy: 1.003713455278572
Energy: 0.9705681762556316
Energy: 1.0897516267398968
Energy: 1.0508421003894106
Energy: 1.0311191061877008
Energy: 1.086947427990053
Energy: 1.061739248808128
Energy: 1.0152060444545685
Energy: 1.0494142217652418
Energy: 1.0492531941515775
Energy: 1.0484499440303567
Energy: 1.0900899516343756
Energy: 1.0449489924068398
Energy: 1.039454873031546
Energy: 1.0316312746974536
Energy: 1.1294768976923348
Energy: 0.9858359222984117
Energy: 1.0903620817168418
Energy: 1.063727650928015
Energy: 0.9860476242950102
Energy: 0.9844502990175188
Energy: 1.0412763869137802
Energy: 1.098498608999577
Energy: 1.0918832735931678
Energy: 1.0521823804620378
Energy: 1.064195099731516
Energy: 1.045595253607152
Energy: 1.0570665992256925
Energy: 1.0508725776763221
Energy: 1.099790743744011
Energy: 1.1063299079391704
Energy: 1.0495753827417056
Energy: 1.0585446257192885
Energy: 1.0982639601552842
Energy: 1.0499481978811878
Energy: 1.0541626113792886
Energy: 1.06103947757987
Energy: 1.1446423341804859
Energy: 0.9853362292383883
Energy: 0.9839383095327301
Energy: 1.06533500973054
Energy: 1.0645734393086386
Energy: 1.010521584633005
Energy: 0.9867164235576081

minimum gb energy = 0.9019579590113269 eV
minimum distance =  2.23777283078515 Angstroms
sigma value = 365


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

Energy: 1.203169173822182
Energy: 1.1305384405029306
Energy: 1.2189477302489542
Energy: 1.2070564324642474
Energy: 1.2063816026828327
Energy: 1.207963583068121
Energy: 1.2211351440256448
Energy: 0.3849290469372227
Energy: 0.370124784231802
Energy: 0.36942686819022375
Energy: 0.3691768226154641
Energy: 0.36938768397958766
Energy: 0.3695191980751386
Energy: 0.369588311727321
Energy: 0.384845068924198
Energy: 0.369960448150539
Energy: 0.36964950843516575
Energy: 0.36950923948669223
Energy: 0.3695485389206081
Energy: 0.3693624410233888
Energy: 0.3696752614885562
Energy: 1.1455410303325553
Energy: 1.176841569748429
Energy: 1.158767830581017
Energy: 1.1449131670456916
Energy: 1.1447865328553897
Energy: 1.1552762056267316
Energy: 1.1843675938754017
Energy: 1.1848424582600308
Energy: 1.175615282764729
Energy: 1.1757989466648555
Energy: 1.1754213876996822
Energy: 1.219406245295198
Energy: 1.1758866903218528
Energy: 1.175460642344921
Energy: 0.38509656255955765
Energy: 0.36973720278735384
Energy: 0.3696218248141925
Energy: 0.36934763703658285
Energy: 0.3693289910723443
Energy: 0.3695710433705173
Energy: 0.36956815725783027
Energy: 1.1462780851685002
Energy: 1.1757497419631981
Energy: 1.1576764114983986
Energy: 1.1534289116983751
Energy: 1.1552786891081488
Energy: 1.1933501610385313
Energy: 1.1759361267415265
Energy: 1.1457671151855249
Energy: 1.1762511278105325
Energy: 1.1917550447876226
Energy: 1.1532519143991944
Energy: 1.1461433324266646
Energy: 1.156464793377049
Energy: 1.176076457442022
Energy: 0.3851152702862186
Energy: 0.3696265414199706
Energy: 0.36941465243409444
Energy: 0.36928102465135687
Energy: 0.36944304566899006
Energy: 0.3695620627956447
Energy: 0.3697111198856859
Energy: 1.184962035217174
Energy: 1.1756678734663042
Energy: 1.17592315432822
Energy: 1.1760455486448296
Energy: 1.1762481986171958
Energy: 1.1755615926438203
Energy: 1.1752446583357774
Energy: 1.1757543079459967
Energy: 1.143651116118774
Energy: 1.1590875967465255
Energy: 1.1452457505074065
Energy: 1.1457527979482431
Energy: 1.1451768111798988
Energy: 1.159344991944126
Energy: 0.38494214308851177
Energy: 0.3701145612804796
Energy: 0.3696058753120061
Energy: 0.3696118527849856
Energy: 0.36944256384752466
Energy: 0.3697020433564563
Energy: 0.36992390645939766
Energy: 0.38475541806200375
Energy: 0.3702883613039967
Energy: 0.36946515208483
Energy: 0.3695622352733245
Energy: 0.3694516366156235
Energy: 0.3693603191978807
Energy: 0.3698708406353183
Energy: 1.176501296031281
Energy: 1.1760712485303582
Energy: 1.1581625826159283
Energy: 1.146390405044264
Energy: 1.1465826243257375
Energy: 1.1473020422786557
Energy: 1.1587711489706292
Energy: 1.145804735226422
Energy: 1.1764876095156722
Energy: 1.175364097420524
Energy: 0.36910232187776604
Energy: 0.36892682680291133
Energy: 0.36971721639520844
Energy: 1.1760116783788446
Energy: 0.3848561482841249
Energy: 0.37014983706604
Energy: 0.3698348834108509
Energy: 0.36930430772085754
Energy: 0.36928689827365324
Energy: 0.3694684760594244
Energy: 0.3698329364206803
Energy: 1.1456982410666687
Energy: 1.1764639300425364
Energy: 1.1584650396669653
Energy: 1.1451473995790529
Energy: 1.1454193363957617
Energy: 1.156023015677132
Energy: 1.1856297517300904
Energy: 1.1854629710842441
Energy: 1.175908805283649
Energy: 1.1758949577509505
Energy: 1.1582545236357151
Energy: 1.2188503428592925
Energy: 1.1756859375577293
Energy: 1.175531147125209
Energy: 0.385423628207028
Energy: 0.36941386043509034
Energy: 0.3692124154083561
Energy: 0.36919095639930927
Energy: 0.3689156381138752
Energy: 0.3691285078565798
Energy: 0.36904702288532887
Energy: 1.1442493639348825
Energy: 1.1752959089128154
Energy: 1.1758722476597294
Energy: 1.1460595257102002
Energy: 1.1511738806286462
Energy: 1.1941354535680695
Energy: 1.1757664854584347

minimum gb energy = 0.3689156381138752 eV
minimum distance =  2.29893106635974 Angstroms
sigma value = 23