Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
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=3.520000994205475
cohesive_energy=4.414156524791696
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=[1.78964732194434e-19, 2.7050188982475597e-19, 3.3921283695047995e-19, 3.9445909164406796e-19, 4.404383566866e-19, 4.79493014316984e-19, 5.13098669215134e-19, 5.42258283953934e-19, 5.67694440195318e-19, 5.89947071464944e-19, 6.094327436876519e-19, 6.264863117799479e-19, 6.413753392397099e-19, 6.543209264424299e-19, 6.65508925877652e-19, 6.75094748678874e-19, 6.8321618203662e-19, 6.89986980491904e-19, 6.95508081172668e-19, 6.9987080814704995e-19, 7.03150463716848e-19, 7.054207480072259e-19, 7.06740941553642e-19, 7.0717032489155395e-19, 7.067121023742299e-19, 7.05233293341048e-19, 7.025656692454379e-19, 6.9850094712498e-19, 6.92798800484574e-19, 6.851740418833679e-19, 6.752806011684179e-19, 6.6270511676815195e-19, 6.4695091392603005e-19, 6.274107676977659e-19, 6.03341268125184e-19, 5.73829174526904e-19, 5.377433501993219e-19, 4.936626644680799e-19, 4.39794281679732e-19, 3.7385189577756e-19, 2.92884297401736e-19, 1.9303985392412399e-19, 6.92056992703032e-20, -8.54935871492106e-20, -2.8048505243121e-19, -5.2895060483193e-19, -8.497848736137959e-19, -1.27081446255612e-18]
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: -0.0364522165523 eV

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

Energy: 0.02199001128902171
Energy: 0.504727876969143
Energy: 0.5024481694818954
Energy: 1.246720523279773
Energy: 1.101805594973923
Energy: 0.39580137364562934
Energy: 0.02275781172911545
Energy: 0.13949777733946864
Energy: 1.112192829997046
Energy: 0.3120365156089318
Energy: 0.501244747715173
Energy: 0.5032492608239783
Energy: 0.02345143376896093
Energy: 0.1413578592167441
Energy: 0.022608458193525346
Energy: 0.9232044310707581
Energy: 0.37013284858760076
Energy: 0.5014414848151609
Energy: 1.0267986323435065
Energy: 0.13962902283485643
Energy: 0.14159258394144844
Energy: 0.02567212997045353
Energy: 0.5027193619756116
Energy: 0.503106811839338
Energy: 1.2469478752765297
Energy: 1.1026440552836867
Energy: 0.1404055361171375
Energy: 0.023082415908628796
Energy: 0.14090277937569223
Energy: 1.1118523434802603
Energy: 0.3118624680527876
Energy: 0.5015408402733513
Energy: 0.8137424510641045
Energy: 0.022830681895007227
Energy: 0.14063611013469332
Energy: 0.02244181180850924
Energy: 0.9183991729108733
Energy: 0.5011816830270983
Energy: 0.5011496526058971
Energy: 1.0466881665108458
Energy: 0.13925547380329903
Energy: 0.1411185653623649

minimum gb energy = 0.02199001128902171 eV
minimum distance =  2.46732961319962 Angstroms
sigma value = 5


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

Energy: 1.4737612403080034
Energy: 1.359282467888065
Energy: 1.5106552710006858
Energy: 1.4047963644825887
Energy: 1.4446036644879099
Energy: 1.605830873819997
Energy: 1.3616346531466494
Energy: 1.2989540301997626
Energy: 1.3737822850035581
Energy: 1.292051658821482
Energy: 1.4243790206539073
Energy: 1.3909953871478695
Energy: 1.3055728614428397
Energy: 1.4517184484096115
Energy: 1.306226870551099
Energy: 1.4240330722285863
Energy: 1.511751620557198
Energy: 1.367199886932079
Energy: 1.392777811099973
Energy: 1.4674122794219833
Energy: 1.3798413169540744
Energy: 1.2917309871677243
Energy: 1.3579013148822678
Energy: 1.3247050618867986
Energy: 1.2986616397666695
Energy: 1.3907930994601996
Energy: 1.320005752572679
Energy: 1.4472552561609722
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Energy: 1.3238193200420785
Energy: 1.3817910128137154
Energy: 1.355199635931363
Energy: 1.4070376279851964
Energy: 1.3461502420743054
Energy: 1.3810663500961597
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Energy: 1.4064621158515702
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Energy: 1.304770333216385
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Energy: 1.3478871305077882
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Energy: 1.3582288816921462
Energy: 1.4280624999806835
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Energy: 1.366663763591561
Energy: 1.3843398819602193
Energy: 1.4601672196814388
Energy: 1.386394695489283
Energy: 1.3319613491046791
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Energy: 1.3279917120431532
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Energy: 1.3238751362219008
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Energy: 1.4076932156396869
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Energy: 1.3939716790290202
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Energy: 1.4039566699052655
Energy: 1.4172475836474174
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Energy: 1.4264529529363228
Energy: 1.472471622050319
Energy: 1.4695618491933946
Energy: 1.3564878546642172
Energy: 1.4049560234381075
Energy: 1.3098064376255432
Energy: 1.349179419410156
Energy: 1.3591400223023573
Energy: 1.3168606959269886
Energy: 1.3774139870355238
Energy: 1.4743250928095613
Energy: 1.3942490290773368
Energy: 1.4427193120892856
Energy: 1.3970627125985313
Energy: 1.419245717169053
Energy: 1.4724740129424956
Energy: 1.4180633464164345
Energy: 1.3415991657809305
Energy: 1.424413113830716
Energy: 1.29261176669876
Energy: 1.3812751493118443
Energy: 1.456670931690056
Energy: 1.3885185874753692
Energy: 1.3430619938028932
Energy: 1.5706201861146312
Energy: 1.434817156471883
Energy: 1.3799501308343565
Energy: 1.4126797498948445
Energy: 1.3571877477710261
Energy: 1.356393657263484
Energy: 1.3268988195758693
Energy: 1.3346004809242282
Energy: 1.386428550780344
Energy: 1.3162029764009615
Energy: 1.3995763427954908
Energy: 1.3995694863787056
Energy: 1.3400214099253691
Energy: 1.3718718320092553
Energy: 1.323320501635522
Energy: 1.3750374375238459
Energy: 1.4569661503241664
Energy: 1.5889736077928902
Energy: 1.3604363187315627
Energy: 1.3539789130807431
Energy: 1.3864835987295598

minimum gb energy = 1.283190541829144 eV
minimum distance =  2.25496178017032 Angstroms
sigma value = 401


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

Energy: 1.3328202981225163
Energy: 1.5651649635183942
Energy: 1.4605899951692165
Energy: 1.3781499930352454
Energy: 1.316453066734718
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Energy: 1.308022479468236
Energy: 1.3926096797606173
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Energy: 1.3107194497372336
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Energy: 1.3154738401172463
Energy: 1.3566291574128182
Energy: 1.343683696652014
Energy: 1.3748439664252032
Energy: 1.3072968688544069
Energy: 1.320816720125969
Energy: 1.353363798022985
Energy: 1.3185406396835329
Energy: 1.415111999476528
Energy: 1.3213952976184236
Energy: 1.3750372220437872
Energy: 1.312115910433304
Energy: 1.3119176425479877
Energy: 1.4418117847090681
Energy: 1.3966189437298426
Energy: 1.3035593818592282
Energy: 1.3096229412263631
Energy: 1.392939998532623
Energy: 1.4003600758263244
Energy: 1.3102181889382225
Energy: 1.4188555784849393
Energy: 1.2895900080581153
Energy: 1.3015302619529852
Energy: 1.3239219996938463
Energy: 1.3128407214038038
Energy: 1.3792623221661306
Energy: 1.4317086709277682
Energy: 1.30457032535478
Energy: 1.3225835178318845
Energy: 1.3041264035754765
Energy: 1.319504485680069
Energy: 1.3862417977813375
Energy: 1.5208999756472947
Energy: 1.3833056990067465
Energy: 1.3065862573260494
Energy: 1.3161224838453771
Energy: 1.3055989367117993
Energy: 1.3021490816701389
Energy: 1.3096497794233737
Energy: 1.397672293654014
Energy: 1.3037502155072271
Energy: 1.4375648457805972
Energy: 1.3837066716682143
Energy: 1.3077090546853758
Energy: 1.3492716719101665
Energy: 1.4298421030152109
Energy: 1.3086242568108142
Energy: 1.3071797660492137
Energy: 1.3858185363684996
Energy: 1.4546134375921271
Energy: 1.385437559834884
Energy: 1.330403211921108
Energy: 1.366931506500566
Energy: 1.3264286481451533
Energy: 1.3120497366703445
Energy: 1.334265655766335
Energy: 1.3355509902083251
Energy: 1.4618043320815728
Energy: 1.455921601859454
Energy: 1.3756952077701832
Energy: 1.3262645292329687
Energy: 1.3276537684683158
Energy: 1.3050937388195905
Energy: 1.3065075318164634
Energy: 1.356002301972213
Energy: 1.3230632233760893
Energy: 1.3658539775822687
Energy: 1.3129903087746473
Energy: 1.3100947534101852
Energy: 1.3040031888364265
Energy: 1.3169622607145868
Energy: 1.3579820996156775
Energy: 1.3268065470799917
Energy: 1.396163887080054
Energy: 1.3092324995944862
Energy: 1.309628467851541
Energy: 1.2948000835176114
Energy: 1.3179117127170656
Energy: 1.3969681627387698
Energy: 1.3202360899203736
Energy: 1.3162012272234356
Energy: 1.31337493295841
Energy: 1.3065100253352433
Energy: 1.3947451436867329
Energy: 1.388871116925763
Energy: 1.3066391189144428
Energy: 1.3086602292356342
Energy: 1.393403958546836
Energy: 1.3967834116482067
Energy: 1.3111906397199233
Energy: 1.4288233767630008
Energy: 1.3096809690001114
Energy: 1.303699539124383
Energy: 1.3395794464465807
Energy: 1.3048383900107392
Energy: 1.3480933593160576
Energy: 1.4324742413633602
Energy: 1.3325701992447392
Energy: 1.331234215850237
Energy: 1.3552624487658642

minimum gb energy = 1.2895900080581153 eV
minimum distance =  2.26862993175594 Angstroms
sigma value = 311


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

Energy: 1.4439779988865138
Energy: 1.357918844989111
Energy: 1.4729498747329506
Energy: 1.3519000855151435
Energy: 1.4044915982744606
Energy: 1.346758306779307
Energy: 1.3710380680397831
Energy: 1.3684948980896736
Energy: 1.3877329205886444
Energy: 1.3501200592309641
Energy: 1.3807596109190536
Energy: 1.3617600072309517
Energy: 1.351867891785568
Energy: 1.4097567105616022
Energy: 1.3372201551055392
Energy: 1.3587778924857314
Energy: 1.3647083203440487
Energy: 1.3439395140612176
Energy: 1.3632894669167546
Energy: 1.3462495586926277
Energy: 1.3544645700575502
Energy: 1.3503660088387168
Energy: 1.4708244817376759
Energy: 1.3380983395840427
Energy: 1.5159482778423972
Energy: 1.4105308072242866
Energy: 1.3395954343946965
Energy: 1.4598986031490389
Energy: 1.4101510636534285
Energy: 1.4017913187468471
Energy: 1.3621190142307316
Energy: 1.4160792474941053
Energy: 1.4050301329587784
Energy: 1.3561031144942461
Energy: 1.411511004793985
Energy: 1.336552847155396
Energy: 1.393997979345838
Energy: 1.3508170537640325
Energy: 1.3362427651898385
Energy: 1.379675475830186
Energy: 1.3677998353902783
Energy: 1.4186586104161099
Energy: 1.4815732573267166
Energy: 1.364713458678701
Energy: 1.4219962657902134
Energy: 1.383602546720868
Energy: 1.3734316800121067
Energy: 1.3408000698539042
Energy: 1.4390407467549808
Energy: 1.3485222342697205
Energy: 1.3810606521938416
Energy: 1.3626110461247258
Energy: 1.4296891504711882
Energy: 1.459618601753906
Energy: 1.4219555026399235
Energy: 1.411185025313786
Energy: 1.4720496922445598
Energy: 1.3602189102110414
Energy: 1.362645809557487
Energy: 1.3489488322198622
Energy: 1.4025060207977775
Energy: 1.3325037951597674
Energy: 1.3717383788721667
Energy: 1.3598124475858329
Energy: 1.4856807264262495
Energy: 1.3385938213248247
Energy: 1.4944387445889844
Energy: 1.4186936154221146
Energy: 1.374838640667017
Energy: 1.3854333114277066
Energy: 1.4243149158542725
Energy: 1.4006940971080162
Energy: 1.4170861503198928
Energy: 1.3937529409563745
Energy: 1.3821647231118073
Energy: 1.5167292908378944
Energy: 1.4348270829867804
Energy: 1.3257303454318548
Energy: 1.4532249570631397
Energy: 1.369930362597395
Energy: 1.3565121243295049
Energy: 1.364095680185179
Energy: 1.3263390593104893
Energy: 1.3811537950365351
Energy: 1.4285619932260138
Energy: 1.335620566520387
Energy: 1.4738338190277818
Energy: 1.354170307626462
Energy: 1.3985145602876323
Energy: 1.3964187428495451
Energy: 1.3935150432212207
Energy: 1.4052654897896466
Energy: 1.409314976969859
Energy: 1.3783563897813014
Energy: 1.4268690554775456
Energy: 1.4573560908852023
Energy: 1.4026431168084936
Energy: 1.4935952726314206
Energy: 1.4243416430237772
Energy: 1.3455415721412942
Energy: 1.3627286850800435
Energy: 1.3697876331584136
Energy: 1.3756617839462812
Energy: 1.3432069647553169
Energy: 1.3912160599056365
Energy: 1.3442128149330597
Energy: 1.438525466818559
Energy: 1.352864114282099
Energy: 1.3858408544899141
Energy: 1.395855557225597
Energy: 1.3163807222114936
Energy: 1.3773047080456768
Energy: 1.4070808870919007
Energy: 1.3631619979410676
Energy: 1.3829603280863383
Energy: 1.5087112497592285
Energy: 1.3651752510012132
Energy: 1.4011839683620753
Energy: 1.4397331252363712
Energy: 1.3316667894616174
Energy: 1.436038446594132
Energy: 1.368095448367962
Energy: 1.3555990469433363
Energy: 1.3687880607922522
Energy: 1.3595721291984442
Energy: 1.4155817791231573
Energy: 1.4697043232676112
Energy: 1.3392236572310339
Energy: 1.4709939248623052
Energy: 1.3458683898879613
Energy: 1.4944971562153615
Energy: 1.3420493646763567
Energy: 1.346237885964669
Energy: 1.4212961893096208
Energy: 1.3928255075310516
Energy: 1.424300720971798
Energy: 1.473859116617867
Energy: 1.4378676731640723
Energy: 1.4061518089573783
Energy: 1.4924756036926032
Energy: 1.3656094829925616
Energy: 1.3408112682933133
Energy: 1.3946020057382549
Energy: 1.3459804315513417
Energy: 1.484196292735959
Energy: 1.3258863328566368
Energy: 1.3888999966062685
Energy: 1.3469537912322598
Energy: 1.4416281450050252
Energy: 1.3660114600722362
Energy: 1.3374771148987625
Energy: 1.3877042167941658
Energy: 1.344982614492199
Energy: 1.3740322699323069
Energy: 1.3816766669044658
Energy: 1.3984531142891938
Energy: 1.3603679346064106
Energy: 1.4446841195272817
Energy: 1.4100580526652535
Energy: 1.4068132936700186
Energy: 1.391818567605735
Energy: 1.4292801891894702
Energy: 1.4405834147077616
Energy: 1.373441595077111
Energy: 1.367183236886723
Energy: 1.3687323858030653
Energy: 1.3428626572266738
Energy: 1.3782359380045188
Energy: 1.4781563620182403
Energy: 1.3478360688153324
Energy: 1.432234063185634
Energy: 1.359295775318977
Energy: 1.4388385707001787
Energy: 1.3365079483781814
Energy: 1.4218139652617736
Energy: 1.4222732633825195
Energy: 1.379738129796096
Energy: 1.3482212607584514
Energy: 1.5322757217039058
Energy: 1.4571264673734967
Energy: 1.330128588308598
Energy: 1.4348917385341764
Energy: 1.3988771502284216
Energy: 1.3431331626243612
Energy: 1.3684459430636686
Energy: 1.3381274656143
Energy: 1.4606737265586593
Energy: 1.348636204258241
Energy: 1.3549642560930868
Energy: 1.3286197870891154
Energy: 1.4517048427445463
Energy: 1.3790839426864896
Energy: 1.3551677626530778
Energy: 1.368935534360699
Energy: 1.323083197121411
Energy: 1.3926644323034547
Energy: 1.36359779594699
Energy: 1.3746549155092822
Energy: 1.4090117443173402
Energy: 1.4861304619729552
Energy: 1.3769216226504581
Energy: 1.3989131215792583
Energy: 1.424686566472306
Energy: 1.4030991641471402
Energy: 1.45559658138442
Energy: 1.3835640218976157
Energy: 1.424189398674093
Energy: 1.3686885265524158
Energy: 1.329797127427064
Energy: 1.4004238594631047
Energy: 1.4186387577145854
Energy: 1.3629112231576705
Energy: 1.4209011208531894
Energy: 1.340819705834254
Energy: 1.367055468068169
Energy: 1.344652426070185
Energy: 1.3642984692021083
Energy: 1.3481997852815935
Energy: 1.4090778201193201
Energy: 1.3669582325716205
Energy: 1.4174575275460577
Energy: 1.457681837230903
Energy: 1.4515313170459827
Energy: 1.3569690458312333
Energy: 1.3718983880714977
Energy: 1.3743773406860533
Energy: 1.3881594479297925
Energy: 1.3874561671256773
Energy: 1.3860419932117916
Energy: 1.3485023414845765
Energy: 1.4096770846634352
Energy: 1.3578003556484872
Energy: 1.4053918687831972
Energy: 1.3544808724783428
Energy: 1.3544496381072473
Energy: 1.4149323779702538
Energy: 1.3690393427309009
Energy: 1.358302786228482
Energy: 1.3844042941471966
Energy: 1.401961864871534
Energy: 1.3787879699760148
Energy: 1.4187710751762568
Energy: 1.3572303682354143
Energy: 1.3420328148870448
Energy: 1.5069844987450707
Energy: 1.3831842390706828
Energy: 1.4181313535690556
Energy: 1.4280914427842468
Energy: 1.4642282501852388
Energy: 1.4201207539943528
Energy: 1.3358958030594101
Energy: 1.4291928179835678

minimum gb energy = 1.3163807222114936 eV
minimum distance =  2.26570525759995 Angstroms
sigma value = 39


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

Energy: 1.2762480462480006
Energy: 1.3569829200718397
Energy: 1.715084818384636
Energy: 1.541517781453128
Energy: 1.425083960994051
Energy: 1.42975148654097
Energy: 1.2483734638290023
Energy: 1.3394525822994492
Energy: 1.3805148568721424
Energy: 1.4272909711936168
Energy: 1.382567524972309
Energy: 1.3297215751898488
Energy: 1.3405573568544031
Energy: 1.3712844579586292
Energy: 1.3388612054120717
Energy: 1.3234464013756455
Energy: 1.4449661462715842
Energy: 1.368345683716314
Energy: 1.3311755994618184
Energy: 1.3468068805819444
Energy: 1.3433857161026872
Energy: 1.339037959131602
Energy: 1.3464615924951118
Energy: 1.4363717186997929
Energy: 1.3462905799630513
Energy: 1.3879962243170338
Energy: 1.4394610617720032
Energy: 1.4302997690650738
Energy: 1.3466663791040907
Energy: 1.327083186461108
Energy: 1.4433555468128476
Energy: 1.348265780291258
Energy: 1.4219894133061182
Energy: 1.3520138124202719
Energy: 1.3442932889277013
Energy: 1.2470622826157858
Energy: 1.3300331217994454
Energy: 1.3457332902127124
Energy: 1.328121751216178
Energy: 1.3840976769162407
Energy: 1.340282964424288
Energy: 1.3606011417080728
Energy: 1.3770349619721038
Energy: 1.3827564236171401
Energy: 1.344090773671855
Energy: 1.3850337521698903
Energy: 1.2489457734824974
Energy: 1.2539488595819943
Energy: 1.3364864947798185
Energy: 1.2479500685563587
Energy: 1.3809743616367132
Energy: 1.4246545176002847
Energy: 1.3274830108857312
Energy: 1.4531430375528571
Energy: 1.3587480073432874
Energy: 1.342641206610394
Energy: 1.2481084230761172
Energy: 1.3809070366968945
Energy: 1.4400453369672754
Energy: 1.3301568311863827
Energy: 1.3257836282376507
Energy: 1.3484340461941897
Energy: 1.3414653973106445
Energy: 1.377615389130761
Energy: 1.3884606108864965
Energy: 1.44174302627185
Energy: 1.3669603441189166
Energy: 1.326704132919878
Energy: 1.3423296691870508
Energy: 1.3437769674218292
Energy: 1.3446292533187492
Energy: 1.320479782192582
Energy: 1.442167069567256
Energy: 1.3218031398348937
Energy: 1.3264720005847463
Energy: 1.3685927689487167
Energy: 1.4256136293595936
Energy: 1.3726557854615786
Energy: 1.3274216980674494
Energy: 1.4162329695057232
Energy: 1.3237749168064759
Energy: 1.3830317936555665
Energy: 1.3517587092204957
Energy: 1.3520756482583236
Energy: 1.2503395607299372
Energy: 1.3273076339253775
Energy: 1.4563180363643686
Energy: 1.3526210734835968
Energy: 1.4307135895293537
Energy: 1.444062759153837
Energy: 1.3437826718846106
Energy: 1.343649522206423
Energy: 1.3216779935746148
Energy: 1.3467612271390115
Energy: 1.3664436823915809
Energy: 1.249746615554445
Energy: 1.248017877383897
Energy: 1.3714286965113225
Energy: 1.2464667592900638
Energy: 1.3818590583627488
Energy: 1.34323747583555
Energy: 1.3860964407533374
Energy: 1.2478679387789686
Energy: 1.2475482457064184
Energy: 1.3728618351585433
Energy: 1.2482803420181825
Energy: 1.3340196348969207
Energy: 1.3425859496535475
Energy: 1.3488382501313125
Energy: 1.4560434735982968
Energy: 1.4304033599468515
Energy: 1.2493500900529477
Energy: 1.3401593379805705
Energy: 1.380457726610517
Energy: 1.4277664515043895
Energy: 1.382813781583314
Energy: 1.3295762266993787
Energy: 1.3406211013927565
Energy: 1.3724720996579844
Energy: 1.3414571105939044
Energy: 1.3187732852468688
Energy: 1.4361047551947743
Energy: 1.3685015357902843
Energy: 1.330419160739596
Energy: 1.3463862820750017
Energy: 1.34352133680707
Energy: 1.3385785424670873
Energy: 1.3477062071965746
Energy: 1.4366096927870686
Energy: 1.3453796682472898
Energy: 1.3878212247385835
Energy: 1.4401801674529884
Energy: 1.4305964038547914
Energy: 1.343673434239369
Energy: 1.3277007429237258
Energy: 1.4443970877824701
Energy: 1.3469295426482646
Energy: 1.4206240423774679
Energy: 1.4495356863884759
Energy: 1.3438132609776692
Energy: 1.2471614160048705
Energy: 1.3271519267552332
Energy: 1.3459041984426643
Energy: 1.3286074566274761
Energy: 1.384052732282349
Energy: 1.2482844096514696
Energy: 1.3620282783577486
Energy: 1.3773655177448447
Energy: 1.385849903176597
Energy: 1.3440983888459723
Energy: 1.3848503865498258
Energy: 1.2491932563189283
Energy: 1.252815722989019
Energy: 1.3720306853072393
Energy: 1.2495676465228855
Energy: 1.3804995057083924
Energy: 1.4238863037431573
Energy: 1.3288332208165587
Energy: 1.4533588328547093
Energy: 1.358817632275598
Energy: 1.3434658602449323
Energy: 1.248073393124087
Energy: 1.381253683035022
Energy: 1.439730196513118
Energy: 1.32885016136137
Energy: 1.326515340213593
Energy: 1.3481947003406614
Energy: 1.349918222635411
Energy: 1.3774080658077532
Energy: 1.3848882044857067
Energy: 1.4427353457411525
Energy: 1.366391382230206
Energy: 1.3267661820027499
Energy: 1.3433681098190242
Energy: 1.3439242804475564
Energy: 1.3441034826404217
Energy: 1.3229847708577458
Energy: 1.4424151837681392
Energy: 1.3210098154887029
Energy: 1.326444358366322
Energy: 1.3457395288993115
Energy: 1.4279140021687953
Energy: 1.3689522008884718
Energy: 1.3275804275971825
Energy: 1.3181944949516409
Energy: 1.327334218731948
Energy: 1.3828012685691118
Energy: 1.3526517992110982
Energy: 1.3517010123835738
Energy: 1.250988397166382
Energy: 1.327925978114059
Energy: 1.456631709746875
Energy: 1.3520055277541256
Energy: 1.430268997646117
Energy: 1.4434212746180002
Energy: 1.343990211810831
Energy: 1.34411344248063
Energy: 1.324906167351046
Energy: 1.3473584536627958
Energy: 1.3666542601047986
Energy: 1.2496686745170689
Energy: 1.2481992107947888
Energy: 1.3707912237537647
Energy: 1.2465616231632386
Energy: 1.3819331116342468
Energy: 1.343024767259621
Energy: 1.3262716272870947
Energy: 1.2478715165371634
Energy: 1.2475939061334385
Energy: 1.3756743478671303

minimum gb energy = 1.2464667592900638 eV
minimum distance =  2.30887042799139 Angstroms
sigma value = 21


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

Energy: 1.6137657162283814
Energy: 1.4276156277276246
Energy: 1.3666575243992063
Energy: 1.7369967918517888
Energy: 1.3814210352197327
Energy: 1.3834520073766776
Energy: 1.5810877271224302
Energy: 1.3123476930477405
Energy: 1.3643519136563176
Energy: 1.5090312879661694
Energy: 1.2936255126030451
Energy: 1.3355478027728829
Energy: 1.311453982459719
Energy: 1.3470605527140418
Energy: 1.3962347728758095
Energy: 1.2886059038985285
Energy: 1.3569044035295275
Energy: 1.2915875457702017
Energy: 1.3967469033875994
Energy: 1.2990743223757109
Energy: 1.510984841726464
Energy: 1.4728887000475355
Energy: 1.3486890422992328
Energy: 1.3762763466702954
Energy: 1.3533523881345302
Energy: 1.2819487311631357
Energy: 1.3088838310506876
Energy: 1.3338962773738787
Energy: 1.2887747456215797
Energy: 1.2586028552867192
Energy: 1.3476912774112761
Energy: 1.2935003296057075
Energy: 1.2610185232539681
Energy: 1.3387290017365587
Energy: 1.3487464526988189
Energy: 1.2556183048308567
Energy: 1.2732917230709693
Energy: 1.3588929007305877
Energy: 1.3131341566675394
Energy: 1.332760172593924
Energy: 1.3338072240508811
Energy: 1.3403334174152486
Energy: 1.2846878957653378
Energy: 1.3110021020393636
Energy: 1.3099278391620126
Energy: 1.3128652422292548
Energy: 1.2553728915971067
Energy: 1.2555994984109549
Energy: 1.3595107064050553
Energy: 1.393299143053662
Energy: 1.294652861088306
Energy: 1.3677726069553615
Energy: 1.3526891797436906
Energy: 1.3384764776311093
Energy: 1.2878518149342293
Energy: 1.348008844378728
Energy: 1.3267276042846112
Energy: 1.3366981853266877
Energy: 1.3477608410755821
Energy: 1.353903612742323
Energy: 1.2898499867749122
Energy: 1.333939246135462
Energy: 1.356608146648794
Energy: 1.4646955831450157
Energy: 1.3485577225079717
Energy: 1.3612357094133485
Energy: 1.507290669479512
Energy: 1.3082494545532832
Energy: 1.3094308650888151
Energy: 1.6224506575211743
Energy: 1.310401163225106
Energy: 1.3573294448455475
Energy: 1.3309012441232277
Energy: 1.3536621664157467
Energy: 1.2579168081023726
Energy: 1.264407087617202
Energy: 1.3498024010395677
Energy: 1.3127051166290413
Energy: 1.3323315030455738
Energy: 1.5196571164694423
Energy: 1.3451269397009036
Energy: 1.4327824610940791
Energy: 1.584412818553648
Energy: 1.4913784820660563
Energy: 1.5785398852912214
Energy: 1.479673886086416
Energy: 1.3946190501393763
Energy: 1.522882889450494
Energy: 1.3301646638089295
Energy: 1.326367621787179
Energy: 1.3825921904398715
Energy: 1.255956337080527
Energy: 1.295630721275137
Energy: 1.3592448088979192
Energy: 1.3527954342061796
Energy: 1.302598866630062
Energy: 1.350770185736837
Energy: 1.418017408481248
Energy: 1.3931985686037835
Energy: 1.3577878038207192
Energy: 1.485408685988196
Energy: 1.3329135962178316
Energy: 1.6395775773872745
Energy: 1.6232486129756367
Energy: 1.5131766955625383
Energy: 1.4820773381142762
Energy: 1.2890336244689795
Energy: 1.3961736582594493
Energy: 1.4009246102762822
Energy: 1.3535744753495156
Energy: 1.3692814518827283
Energy: 1.3333645260200857
Energy: 1.2942341045591133
Energy: 1.348924611583007
Energy: 1.341808439408411
Energy: 1.2964817521532026
Energy: 1.3021259145130697
Energy: 1.3242389129382945
Energy: 1.3488744646097706
Energy: 1.2567374412411676
Energy: 1.3404279921918345
Energy: 1.3326595514883603
Energy: 1.4182005839095237
Energy: 1.2548248644997557
Energy: 1.333114000084785
Energy: 1.3112171594639346
Energy: 1.2551418968630113
Energy: 1.3018560312952825
Energy: 1.3390747751575207
Energy: 1.4037355764707182
Energy: 1.2548130546811531
Energy: 1.2554275406016906
Energy: 1.3473616594670583
Energy: 1.3055545786056315
Energy: 1.2955567185690628
Energy: 1.398197625066626
Energy: 1.3801065595350248
Energy: 1.3118670243114887
Energy: 1.2872742694563295
Energy: 1.3492629655909476
Energy: 1.3088205196258385
Energy: 1.3751097379267827
Energy: 1.3754861216801832
Energy: 1.543375681261878
Energy: 1.2964292579741425
Energy: 1.3339641819948138
Energy: 1.3567233347059815
Energy: 1.4606080927775444
Energy: 1.3492183180925814
Energy: 1.3545468600848847
Energy: 1.3611214042885569
Energy: 1.3724240255482516
Energy: 1.3226437224435297
Energy: 1.337224559839075
Energy: 1.4631371629862262
Energy: 1.2902071483217947
Energy: 1.3575210828127915
Energy: 1.5631847011938094
Energy: 1.3037185586681461
Energy: 1.342653619548342
Energy: 1.3128832153028847
Energy: 1.30874781209859
Energy: 1.361591997571788
Energy: 1.4479646040140535
Energy: 1.3318673182779104
Energy: 1.5812573449082123
Energy: 1.5787093267726335
Energy: 1.5124125772970902
Energy: 1.2548627564930008
Energy: 1.2949973076818457
Energy: 1.3949952552530658
Energy: 1.3915713454031489
Energy: 1.3581681151936305
Energy: 1.3498689276592948
Energy: 1.3570759631942062

minimum gb energy = 1.2548130546811531 eV
minimum distance =  2.28773654636316 Angstroms
sigma value = 113


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

Energy: 1.5732955708127443
Energy: 1.383057579532608
Energy: 1.4161809964102403
Energy: 1.593408236383394
Energy: 1.6235650605231304
Energy: 1.5702363248449858
Energy: 1.3594925958478248
Energy: 1.2813939428688124
Energy: 1.7105001583519617
Energy: 1.5418066655983294
Energy: 1.5796122316612513
Energy: 1.4955038215780387
Energy: 1.3507702173930645
Energy: 1.4811253013486947
Energy: 1.5974108593273504
Energy: 1.5563308141704262
Energy: 1.5063738711905013
Energy: 1.5530823538485738
Energy: 1.564601277466961
Energy: 1.4660439199817095
Energy: 1.4835205131471754
Energy: 1.5341555154784043
Energy: 1.6348159619432063
Energy: 1.5678704294913373
Energy: 1.6278847122522904
Energy: 1.604537114856401
Energy: 1.567466168213619
Energy: 1.6352183965834672
Energy: 1.2788617785903929
Energy: 1.5313840907819665
Energy: 1.3972052471827714
Energy: 1.5425567681423733
Energy: 1.5059268420074432
Energy: 1.450819160530887
Energy: 1.6093149169031742
Energy: 1.4123961678118224
Energy: 1.521166299773399
Energy: 1.435556512407764
Energy: 1.5008747587360876
Energy: 1.4190188040595983
Energy: 1.4747793172922041
Energy: 1.4703673811581006
Energy: 1.3747991615105963
Energy: 1.4920903737860733
Energy: 1.4402113070726823
Energy: 1.3972229065741886
Energy: 1.5112177835450364
Energy: 1.5210020164919447
Energy: 1.5641779183575009
Energy: 1.4288196079487487
Energy: 1.3798841541509397
Energy: 1.3198680981618034
Energy: 1.6973551205260753
Energy: 1.586851942273942
Energy: 1.4696357986936088
Energy: 1.4274095255031083
Energy: 1.2770121393654903
Energy: 1.4192779318529354
Energy: 1.4238977893989104
Energy: 1.3854018224914086
Energy: 1.4148744637735557
Energy: 1.4841439208544025
Energy: 1.4660709696594465
Energy: 1.544203547761935
Energy: 1.3513811482370246
Energy: 1.4228291544344966
Energy: 1.4000732662559798
Energy: 1.3654175194989655
Energy: 1.3887467553684119
Energy: 1.3168891453053173
Energy: 1.3966777026381598
Energy: 1.3784394874725212
Energy: 1.2832245242078315
Energy: 1.4212191921046624
Energy: 1.4023845462356854
Energy: 1.4160302281681294
Energy: 1.4702031073251896
Energy: 1.3083196960532477
Energy: 1.3271426384122702
Energy: 1.4844503680376715
Energy: 1.5209184270659317
Energy: 1.4441969812264503
Energy: 1.5434412705215177
Energy: 1.4215318356302304
Energy: 1.4052957199057665
Energy: 1.36643235896863
Energy: 1.4075875263872197
Energy: 1.5862113563255897
Energy: 1.578056146867475
Energy: 1.415933342106618
Energy: 1.4136000906008594
Energy: 1.4695636714729943
Energy: 1.4365975452756996
Energy: 1.3584525129481637
Energy: 1.4401116364303448
Energy: 1.3639129256676212
Energy: 1.4295904207814734
Energy: 1.4206847982030184
Energy: 1.3437073262915469
Energy: 1.5163965778231019
Energy: 1.4154509326316287
Energy: 1.3811804573887032
Energy: 1.3448157500473235
Energy: 1.4319805242244905
Energy: 1.539318741141938
Energy: 1.4931692467857074
Energy: 1.5230030486853523
Energy: 1.4488076900228455
Energy: 1.4650788757918265
Energy: 1.5054841188223425
Energy: 1.4206936056383825
Energy: 1.567869975394081
Energy: 1.4381573224843975
Energy: 1.5696797325454577
Energy: 1.4959753536292106
Energy: 1.5413718631456417
Energy: 1.5424214930439186
Energy: 1.584255003263858
Energy: 1.618801502058295
Energy: 1.4300508604702835
Energy: 1.5977788994995743
Energy: 1.5200849374548628
Energy: 1.6087476446560665
Energy: 1.5391793840249237
Energy: 1.5658636767077205
Energy: 1.6104263523498163
Energy: 1.5113738281087938
Energy: 1.6993187084299621
Energy: 1.4897369994154532
Energy: 1.5202861876431113
Energy: 1.599010496271528
Energy: 1.4863869218322614
Energy: 1.5656546061494523
Energy: 1.567233418735215
Energy: 1.5700312050208525
Energy: 1.6098184495785137
Energy: 1.4907728533268279
Energy: 1.61391297856463
Energy: 1.5145024162251701
Energy: 1.4507920558391816
Energy: 1.6496472463796488
Energy: 1.5546871711798538
Energy: 1.3934638283919887
Energy: 1.6030481971646473
Energy: 1.4929069551403105
Energy: 1.4740543247536055
Energy: 1.4574908270937552
Energy: 1.2749694338413473
Energy: 1.7108780517191977
Energy: 1.5694214060034792
Energy: 1.533102217541763
Energy: 1.524758919359649
Energy: 1.278730027517619
Energy: 1.4837056199712966
Energy: 1.5702409725215722
Energy: 1.4544272106445033
Energy: 1.533470649078339
Energy: 1.7087512622516006
Energy: 1.611470102074608
Energy: 1.569303340806044
Energy: 1.2892560832825142
Energy: 1.338199193909918
Energy: 1.711250850674307
Energy: 1.439472627959734
Energy: 1.479678533517094
Energy: 1.4716167263983189
Energy: 1.3011056163681836
Energy: 1.489680338805337
Energy: 1.4312937492098365
Energy: 1.491872574499693
Energy: 1.5055070429651787
Energy: 1.6968986404455997
Energy: 1.6079162057616847
Energy: 1.299280011556903
Energy: 1.48793273356613
Energy: 1.5202182628100664
Energy: 1.5429749365633705
Energy: 1.5694563094932976
Energy: 1.6262862316035276
Energy: 1.6150745699034696
Energy: 1.5690859421619099
Energy: 1.3970024002501171
Energy: 1.544158981345187
Energy: 1.532149700267619
Energy: 1.3895889682281233
Energy: 1.4941767000259085
Energy: 1.3360636673741484
Energy: 1.4520123627634374
Energy: 1.6093800413713661
Energy: 1.4108067698091633
Energy: 1.4976876008684281
Energy: 1.436513098966431
Energy: 1.5232017624971366
Energy: 1.4493994755717787
Energy: 1.4806679811772112
Energy: 1.6195637478392821
Energy: 1.3733401430391412
Energy: 1.4952147242591765
Energy: 1.5636295553670836
Energy: 1.513519099688659
Energy: 1.4784734447610737
Energy: 1.4796245667786605
Energy: 1.5641638623265954
Energy: 1.4095868313545736
Energy: 1.3796387674937247
Energy: 1.4063284999971604
Energy: 1.3465313813336504
Energy: 1.5978416107867235
Energy: 1.3882859529269367
Energy: 1.4369488039625904
Energy: 1.2797025325269928
Energy: 1.427063578541718
Energy: 1.4183673523952944
Energy: 1.3708361376169902
Energy: 1.4690694841425018
Energy: 1.484428799658649
Energy: 1.4667605613542305
Energy: 1.3350358082567293
Energy: 1.3484274111828483
Energy: 1.3401897367504978
Energy: 1.3875849823392659
Energy: 1.3722614283166017
Energy: 1.4508693866630265
Energy: 1.419990827642174
Energy: 1.3947784237199528
Energy: 1.299059073985017
Energy: 1.3126161706836437
Energy: 1.35770746469685
Energy: 1.4023967229687868
Energy: 1.347862802758924
Energy: 1.3599790872438162
Energy: 1.2634032121683871
Energy: 1.3313265877971234
Energy: 1.4737846193980406
Energy: 1.5673361166531494
Energy: 1.5368266040496064
Energy: 1.5446071723789263
Energy: 1.4236648844862372
Energy: 1.4150340049545818
Energy: 1.394820568108075
Energy: 1.4060646958948333
Energy: 1.5736153313619168
Energy: 1.5505223747726935
Energy: 1.4086155019336513
Energy: 1.4159864814903558
Energy: 1.4080951451522397
Energy: 1.4381113359539426
Energy: 1.407299571838945
Energy: 1.4282476781551126
Energy: 1.3082665085637695
Energy: 1.4559168102058646
Energy: 1.486104984295872
Energy: 1.3449740584701895
Energy: 1.526471128569126
Energy: 1.4161877892272945
Energy: 1.3789755491955313
Energy: 1.3433717797936913
Energy: 1.4289635334531312
Energy: 1.3726956774160337
Energy: 1.2740153437661537
Energy: 1.3980930671185756
Energy: 1.3926375305353251
Energy: 1.4419668214018442
Energy: 1.5125152196626057
Energy: 1.439778723803502
Energy: 1.5664610164950266
Energy: 1.4486378849453432
Energy: 1.5104394857917867
Energy: 1.4940727088293897
Energy: 1.5396462661639772
Energy: 1.5969799447469837
Energy: 1.498934262949519
Energy: 1.542205464582245
Energy: 1.43194684984686
Energy: 1.5964488709271314
Energy: 1.5216111700640798
Energy: 1.6092583876229734
Energy: 1.560501283300755
Energy: 1.466226310789312
Energy: 1.5659144453702174
Energy: 1.467063629017271
Energy: 1.6244625837131013
Energy: 1.4505244665219033
Energy: 1.51898056000907
Energy: 1.6127120366593817
Energy: 1.5368250855191306
Energy: 1.563149310207447
Energy: 1.597038621180221
Energy: 1.5703841819780833
Energy: 1.6069760049785247
Energy: 1.7107762404457538
Energy: 1.6098607881471154
Energy: 1.5155741098963333
Energy: 1.5094798733820403
Energy: 1.6507682181191146
Energy: 1.5536783125741498
Energy: 1.4103145484746813
Energy: 1.361008863181258
Energy: 1.492114315604064
Energy: 1.3905398494461603
Energy: 1.5083356379604973
Energy: 1.3060657083286078
Energy: 1.709541846398956
Energy: 1.5712165921829204
Energy: 1.625008374118886
Energy: 1.4943748938009087
Energy: 1.4740687216430268
Energy: 1.4882461627864807
Energy: 1.2671780329435585
Energy: 1.4528164302919633
Energy: 1.5181988352404028
Energy: 1.6230282337142063
Energy: 1.6653462226601574
Energy: 1.5704452003767813
Energy: 1.2897224602073705

minimum gb energy = 1.2634032121683871 eV
minimum distance =  2.28723100477552 Angstroms
sigma value = 365


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

Energy: 1.4437239568305826
Energy: 1.7660844484282936
Energy: 1.4407047610066372
Energy: 1.4116490185708588
Energy: 1.4140493530528548
Energy: 1.407285970957785
Energy: 1.407551282715486
Energy: 1.3956819278065873
Energy: 1.667313449904779
Energy: 1.3913010918823847
Energy: 1.3521341182633768
Energy: 1.3534303721172816
Energy: 1.3565000966170917
Energy: 1.6674614688836362
Energy: 1.3918846702917451
Energy: 1.724571726427999
Energy: 1.3845339727737909
Energy: 1.3551710220433706
Energy: 1.3523568980629697
Energy: 1.3547917844401527
Energy: 1.4072408421379385
Energy: 1.3934478292966943
Energy: 1.7239173559083192
Energy: 1.3574647362089014
Energy: 1.357820026279627
Energy: 1.3576312548313427
Energy: 1.3562416821320213
Energy: 1.411510261019161
Energy: 1.4374898766534712
Energy: 1.6681541473220731
Energy: 1.389255959135616
Energy: 1.6686852848860605
Energy: 1.3547873114044497
Energy: 1.3932315688904378
Energy: 1.6657410003294535
Energy: 1.3954618233104903
Energy: 1.7692822222519182
Energy: 1.3608765158179275
Energy: 1.4124111035984364
Energy: 1.4101920379292785
Energy: 1.3588747457957207
Energy: 1.408252671038976
Energy: 1.3929080242953915
Energy: 1.7241629508910772
Energy: 1.3886676569537104
Energy: 1.3514277386397329
Energy: 1.351280614191849
Energy: 1.3543133842340849
Energy: 1.6675374890991668
Energy: 1.3923095040456346
Energy: 1.7242382992784309
Energy: 1.3867557410816054
Energy: 1.3526612222357024
Energy: 1.3531291273365913
Energy: 1.3839994782473488
Energy: 1.7251225734911126
Energy: 1.3952242810873148
Energy: 1.7693492627108027
Energy: 1.3587745018990665
Energy: 1.4098599665815856
Energy: 1.4181586445499867
Energy: 1.3542987476558075
Energy: 1.4091801013326994
Energy: 1.43701762530774
Energy: 1.6943161448728152
Energy: 1.3910238751266528
Energy: 1.6688264325185558
Energy: 1.6713069054655563
Energy: 1.3928343371087595
Energy: 1.6930555211707494
Energy: 1.3956461854918873
Energy: 1.7816254226557047
Energy: 1.3572558818706864
Energy: 1.4126599291176842
Energy: 1.3594537498605763
Energy: 1.3561027601328448
Energy: 1.4100898375706967
Energy: 1.3917068102558534
Energy: 1.72387542364028
Energy: 1.3854251724438398
Energy: 1.3519402411180037
Energy: 1.3522185923355174
Energy: 1.3529893257743215
Energy: 1.7243558071626013
Energy: 1.3938925924065184
Energy: 1.6685458977192755
Energy: 1.3897434475723116
Energy: 1.3515685751300532
Energy: 1.3515002443143933
Energy: 1.355058003269841
Energy: 1.667434127148873
Energy: 1.3943974726284432
Energy: 1.7743838670073278
Energy: 1.3619819758692624
Energy: 1.4118636981136639
Energy: 1.4098127796328699
Energy: 1.3633321071239681
Energy: 1.4078411776776054
Energy: 1.4380405368340743
Energy: 1.6675924492064058
Energy: 1.388824687475927
Energy: 1.3541061896813587
Energy: 1.355004512756394
Energy: 1.384674544215655
Energy: 1.664583502577987
Energy: 1.3927231948632104
Energy: 1.7231855155897358
Energy: 1.3585933672490593
Energy: 1.3587032217571438
Energy: 1.3535112413987616
Energy: 1.3533838752036775
Energy: 1.4092291954913372
Energy: 1.3921339510975774
Energy: 1.7237504542692441
Energy: 1.384144106284335
Energy: 1.3552823866950112
Energy: 1.3527944691697562
Energy: 1.354023993478368
Energy: 1.4070213413809023
Energy: 1.4383428595003187
Energy: 1.6672465345124816
Energy: 1.3870717602500782
Energy: 1.3539404225472393
Energy: 1.354106416695273
Energy: 1.3543634439790355
Energy: 1.6647685968764714
Energy: 1.394492439918393
Energy: 1.7673065456576926
Energy: 1.3604759810819582
Energy: 1.4117472191746812
Energy: 1.4133668075820147
Energy: 1.3599311456503012
Energy: 1.40755726125598
Energy: 1.3945365860917582
Energy: 1.6651254443198047
Energy: 1.3911575428853429
Energy: 1.3504128745995025
Energy: 1.352902014063314
Energy: 1.3878957378918844
Energy: 1.6670663136099373

minimum gb energy = 1.3504128745995025 eV
minimum distance =  2.32675693853116 Angstroms
sigma value = 23