Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
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=3.518474650382997
cohesive_energy=4.34606645024629
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.02173473581909506
Energy: 0.6089699595882393
Energy: 0.3159976706462002
Energy: 0.6089621795534208
Energy: 0.02173473581909506
Energy: 0.6089699595882393
Energy: 0.3159976706462002
Energy: 0.5648590977592625
Energy: 0.022298293568360942
Energy: 0.32421840433817056
Energy: 0.42285783132292215
Energy: 0.5648590977566196
Energy: 0.02229829357364685
Energy: 0.3242184043328847
Energy: 0.02173473581909506
Energy: 0.6089699595908822
Energy: 0.9972312856692052
Energy: 0.6089621795560638
Energy: 0.02173473581909506
Energy: 0.6089699595882393
Energy: 0.3159976706488431
Energy: 0.5648590977592625
Energy: 0.022298293568360942
Energy: 0.32421840433817056
Energy: 0.42285783132292215
Energy: 0.5648590977566196
Energy: 0.022298293571003897
Energy: 0.32421840433024174
Energy: 0.02173473581909506
Energy: 0.6089699595908822
Energy: 0.31599767064355727
Energy: 0.6089621795534208
Energy: 0.02173473581909506
Energy: 0.6089699595882393
Energy: 0.3159976706462002
Energy: 0.5648590977592625
Energy: 0.022298293568360942
Energy: 0.32421840433817056
Energy: 0.42285783132292215
Energy: 0.5648590977566196
Energy: 0.02229829357364685
Energy: 0.3242184043328847

minimum gb energy = 0.02173473581909506 eV
minimum distance =  2.46773551869078 Angstroms
sigma value = 5


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

Energy: 1.4258684768013008
Energy: 1.4410655510107302
Energy: 1.3729893905957133
Energy: 1.4410730481334149
Energy: 1.425868476820674
Energy: 1.4410655510107302
Energy: 1.3729893905343644
Energy: 1.3662332735367728
Energy: 1.3623556727982853
Energy: 1.4231927588752267
Energy: 1.3785387397335034
Energy: 1.366233273581919
Energy: 1.3623556727466817
Energy: 1.4231927588655402
Energy: 1.3520193919981454
Energy: 1.356003193263527
Energy: 1.433212882723052
Energy: 1.382671523815495
Energy: 1.352019392001374
Energy: 1.3560031932344672
Energy: 1.4332128826778476
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Energy: 1.4069129519423256
Energy: 1.4439800542133616
Energy: 1.3834653828977246
Energy: 1.451394745920292
Energy: 1.4069129519649277
Energy: 1.4439800542037335
Energy: 1.365256792835124
Energy: 1.3452672837242012
Energy: 1.434931330615205
Energy: 1.3705167812615613
Energy: 1.365256792880328
Energy: 1.345267283691971
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Energy: 1.3837865403147833
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Energy: 1.408737927640939
Energy: 1.3837865403018679
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Energy: 1.3471895339743838
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Energy: 1.370955749955432
Energy: 1.3471895340228168
Energy: 1.4166284259561717
Energy: 1.412129354521001
Energy: 1.3477006569962033
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Energy: 1.4716059344135204
Energy: 1.359133846790586
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Energy: 1.3780073585702268
Energy: 1.3829045724314484
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Energy: 1.3647066037199005
Energy: 1.3780073585573112
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Energy: 1.3488025474360137
Energy: 1.3446790144875378
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Energy: 1.3592547720905002
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Energy: 1.3733455444921965
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Energy: 1.4486587499111387
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Energy: 1.4121615982672415
Energy: 1.427116659902165
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Energy: 1.3562360345476285
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Energy: 1.4059116676460652
Energy: 1.409096343979186
Energy: 1.4511209769767524
Energy: 1.4399754542312988
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Energy: 1.362590040217569
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Energy: 1.4151590330179695
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Energy: 1.3596595721712559
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Energy: 1.355131545627292
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Energy: 1.3551315456305209
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Energy: 1.383991073628489
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Energy: 1.3470360650152056
Energy: 1.389130896503694
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Energy: 1.3676687198015307
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Energy: 1.409075683374036
Energy: 1.4336286575073043
Energy: 1.4444942974395985
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Energy: 1.409075683374036
Energy: 1.4336286575234485
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Energy: 1.4343120491959134
Energy: 1.3852169946417479
Energy: 1.4393719396868931
Energy: 1.3857050406397433
Energy: 1.4343120491894554
Energy: 1.385216994619146
Energy: 1.4393719396998086
Energy: 1.4257903255222852
Energy: 1.370902566096149
Energy: 1.4481355782398337
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Energy: 1.4257903255319722
Energy: 1.3709025660800633
Energy: 1.4481355782204606
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Energy: 1.3585088188652397
Energy: 1.4715784906019016
Energy: 1.3539873327694705
Energy: 1.4305713398518318
Energy: 1.3585088187942045
Energy: 1.4715784905986724
Energy: 1.4744765193024147
Energy: 1.4001251893036633
Energy: 1.4118828128468686
Energy: 1.4412158787775766
Energy: 1.4744765192765839
Energy: 1.4001251893133495
Energy: 1.4118828128856151
Energy: 1.424632264851919
Energy: 1.3690683478765073
Energy: 1.3967224132160716
Energy: 1.4170206988954752
Energy: 1.4246322648648344
Energy: 1.3690683478732784
Energy: 1.3967224132322158
Energy: 1.333617856309901
Energy: 1.376922673749831
Energy: 1.4495339616000171
Energy: 1.3740497426788596
Energy: 1.3336178563357322
Energy: 1.3769226738240956
Energy: 1.449533961567787
Energy: 1.3603196910854283
Energy: 1.4331654027863774
Energy: 1.3958908218571937
Energy: 1.41925063933971
Energy: 1.3603196910660549
Energy: 1.4331654028122083
Energy: 1.3958908218604225
Energy: 1.3318957755297844
Energy: 1.3907458540328386
Energy: 1.4372909477332487
Energy: 1.3609914615681749
Energy: 1.331895775516869
Energy: 1.390745853984405
Energy: 1.4372909477267912

minimum gb energy = 1.3318644055970914 eV
minimum distance =  2.19360681284652 Angstroms
sigma value = 401


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

Energy: 1.3401124370005764
Energy: 1.4506185932960667
Energy: 1.4089725611489121
Energy: 1.427083060495597
Energy: 1.3401124370115718
Energy: 1.4506185932887365
Energy: 1.4089725611489121
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Energy: 1.3534346601063347
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Energy: 1.3786632924143205
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Energy: 1.3894976732576265
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Energy: 1.4193876934405993
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Energy: 1.4506185932850715
Energy: 1.408972561145247
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Energy: 1.4180170495977598
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Energy: 1.3894976732539615
Energy: 1.4485743195150076
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Energy: 1.3736945947170498
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Energy: 1.3529527085838184
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Energy: 1.3467875500546944
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Energy: 1.406458840844179
Energy: 1.40362103996248
Energy: 1.3882050724395738
Energy: 1.4015387585295973
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Energy: 1.403621039958815
Energy: 1.388205072450569
Energy: 1.4189198336663345
Energy: 1.4231438064238244
Energy: 1.3564480114822497
Energy: 1.350605838923863
Energy: 1.3845128825482562
Energy: 1.4231438064311548
Energy: 1.3564480114749196
Energy: 1.3506058389165327
Energy: 1.3527956977995277
Energy: 1.3709167511587017
Energy: 1.437281569625534
Energy: 1.366248440086203
Energy: 1.352795697788532
Energy: 1.3709167511806923
Energy: 1.4372815696328645
Energy: 1.373785953220991
Energy: 1.4274607597820008
Energy: 1.4014334989696544
Energy: 1.3670527875573535
Energy: 1.373785953220991
Energy: 1.4274607597893312
Energy: 1.4014334989586588
Energy: 1.373967669011464
Energy: 1.418561926258595
Energy: 1.419015132399154
Energy: 1.365211900208759
Energy: 1.3739676690004683
Energy: 1.4185619262659253
Energy: 1.419015132395489
Energy: 1.3534148975033036
Energy: 1.3792932437542418
Energy: 1.4193876934589247
Energy: 1.389273503579993
Energy: 1.3534148974923084
Energy: 1.3792932437505767
Energy: 1.4193876934442646
Energy: 1.3365640893663213
Energy: 1.377059226489347
Energy: 1.4346529638445988
Energy: 1.4290671378817577
Energy: 1.3365640893663213
Energy: 1.3770592264966774
Energy: 1.4346529638482641
Energy: 1.3395891349303721
Energy: 1.4506185932960667
Energy: 1.408972561145247
Energy: 1.427083060499262
Energy: 1.3395891349120468
Energy: 1.4506185932850715
Energy: 1.408972561145247
Energy: 1.3422948375078565
Energy: 1.394768566234477
Energy: 1.3534346601209952
Energy: 1.4003112666168205
Energy: 1.3422948375078565
Energy: 1.3947685662234817
Energy: 1.3534346601136649

minimum gb energy = 1.3347712687724942 eV
minimum distance =  2.21677627515874 Angstroms
sigma value = 311


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

Energy: 1.4078389524077797
Energy: 1.3687145910532905
Energy: 1.4201515982677635
Energy: 1.3680994845084609
Energy: 1.4078389524035475
Energy: 1.368714591049905
Energy: 1.425893421986103
Energy: 1.4446000284084233
Energy: 1.3862538866156002
Energy: 1.5062109403966513
Energy: 1.3708373843949329
Energy: 1.4446000284084233
Energy: 1.3862538866109446
Energy: 1.506210940394997
Energy: 1.4213723681829413
Energy: 1.3687701416201867
Energy: 1.3985252506714634
Energy: 1.3690295235445233
Energy: 1.421372368184211
Energy: 1.3687701416201867
Energy: 1.433991595732511
Energy: 1.3662911316827293
Energy: 1.3356792579202517
Energy: 1.4665817908676533
Energy: 1.3297874941219319
Energy: 1.3662911316831523
Energy: 1.3356792579194054
Energy: 1.4665817908727317
Energy: 1.4238959114367302
Energy: 1.3652815431718073
Energy: 1.5169107454933637
Energy: 1.382841139109758
Energy: 1.4238959114375767
Energy: 1.3652815431735
Energy: 1.5098374780241273
Energy: 1.3695653142355515
Energy: 1.363912215770145
Energy: 1.406249574106054
Energy: 1.3660937596293143
Energy: 1.3695653142326276
Energy: 1.363912215768452
Energy: 1.4062495741106706
Energy: 1.3647021610281007
Energy: 1.4358198131807378
Energy: 1.4149275200083915
Energy: 1.3720237573118272
Energy: 1.3647021610310635
Energy: 1.4358198131739663
Energy: 1.4158446202558737
Energy: 1.370896065622015
Energy: 1.3602817009371633
Energy: 1.4753479299376615
Energy: 1.4170811607497535
Energy: 1.3708960656287863
Energy: 1.3602817009401253
Energy: 1.4753479299435865
Energy: 1.42200045004827
Energy: 1.3647171984413249
Energy: 1.4580041551832075
Energy: 1.3711015389568508
Energy: 1.4220004500453074
Energy: 1.3647171984404785
Energy: 1.4580041551849003
Energy: 1.3597984700291474
Energy: 1.3713140887989113
Energy: 1.4608293408990163
Energy: 1.3647894276365984
Energy: 1.3597984700236456
Energy: 1.3713140887997577
Energy: 1.4608293409049415
Energy: 1.4435605137283385
Energy: 1.4120059255549753
Energy: 1.4956243563623763
Energy: 1.3369136186947146
Energy: 1.4435605137363796
Energy: 1.4120059255537054
Energy: 1.4956243563644924
Energy: 1.4265094934700346
Energy: 1.3815959958392627
Energy: 1.454090243363484
Energy: 1.4037989515271136
Energy: 1.4265094934649951
Energy: 1.3815959958388395
Energy: 1.4540902433562894
Energy: 1.3922576528487427
Energy: 1.3844370364328349
Energy: 1.4851635339282006
Energy: 1.3869506773348592
Energy: 1.3922576528364699
Energy: 1.384437036431142
Energy: 1.4851635339248148
Energy: 1.4052620027877616
Energy: 1.361637500389304
Energy: 1.4625162563723373
Energy: 1.3894062596608476
Energy: 1.4052620027869152
Energy: 1.361637500388881
Energy: 1.4625162563681053
Energy: 1.4645610948999777
Energy: 1.3376553569981222
Energy: 1.4393171563309164
Energy: 1.3312008013175802
Energy: 1.464561094900401
Energy: 1.3376553570006613
Energy: 1.4393171563292235
Energy: 1.4145931311485695
Energy: 1.3866776045750404
Energy: 1.4715581580792982
Energy: 1.374992336090367
Energy: 1.4145931311485695
Energy: 1.3866776045771563
Energy: 1.4715581580780286
Energy: 1.4236629658829205
Energy: 1.3680313876224117
Energy: 1.4394708481801382
Energy: 1.38880065278834
Energy: 1.4236629658833437
Energy: 1.3680313876245276
Energy: 1.4394708481831007
Energy: 1.3661859680413497
Energy: 1.43695598955848
Energy: 1.3954835104985301
Energy: 1.3696243678994637
Energy: 1.3661859680430042
Energy: 1.4369559895534014
Energy: 1.3954835104997998
Energy: 1.3646537333785644
Energy: 1.360082358387173
Energy: 1.4876708693691325
Energy: 1.4196241301820747
Energy: 1.3646537333768716
Energy: 1.36008235838548
Energy: 1.4876708693674394
Energy: 1.3707319733963996
Energy: 1.3640299256556918
Energy: 1.4947857518690497
Energy: 1.3683283001571949
Energy: 1.3707319733904746
Energy: 1.36402992566204
Energy: 1.494785751872859
Energy: 1.3651171645577864
Energy: 1.3756413707713508
Energy: 1.4674393965570973
Energy: 1.3629213441323995
Energy: 1.365117164556517
Energy: 1.3756413707650026
Energy: 1.4080797730614707
Energy: 1.3905141528499108
Energy: 1.3579298273565787
Energy: 1.4315657938627973
Energy: 1.33567832206951
Energy: 1.3905141528473715
Energy: 1.3579298273574254
Energy: 1.4315657938602582
Energy: 1.423468290696707
Energy: 1.3691475591501683
Energy: 1.3461382938535227
Energy: 1.3652044064814768
Energy: 1.4234682906928984
Energy: 1.3691475591505917
Energy: 1.3461382938480209
Energy: 1.3691100589924778
Energy: 1.3843865174915626
Energy: 1.4940784945087213
Energy: 1.3846101974341702
Energy: 1.3691100589882454
Energy: 1.3843865174877537
Energy: 1.4940784945112604
Energy: 1.4293925266814476
Energy: 1.3600178569183659
Energy: 1.4136120540433594
Energy: 1.3921591458738076
Energy: 1.4293925266856797
Energy: 1.360017856922175
Energy: 1.4136120540467452
Energy: 1.5251998121970625
Energy: 1.3640180855946957
Energy: 1.418874381064114
Energy: 1.4085593293903158
Energy: 1.5251998122000252
Energy: 1.3640180855921566
Energy: 1.4188743810658067
Energy: 1.4481161936727263
Energy: 1.3761359222591054
Energy: 1.4594676139607194
Energy: 1.3679794213282155
Energy: 1.448116193672303
Energy: 1.3761359222599518
Energy: 1.4303359547188705
Energy: 1.4160220360146576
Energy: 1.3844671991099728
Energy: 1.4438599869238025
Energy: 1.3749641928054985
Energy: 1.4160220360129652
Energy: 1.3844671991116657
Energy: 1.4438599869199935
Energy: 1.3672160919151737
Energy: 1.3648015983268291
Energy: 1.4404323986923246
Energy: 1.3575745512255484
Energy: 1.3672160919185592
Energy: 1.3648015983272523
Energy: 1.440432398700789
Energy: 1.369624100479318
Energy: 1.3892338891392833
Energy: 1.4814650094590536
Energy: 1.3288232573611112
Energy: 1.3696241004827039
Energy: 1.3892338891320886
Energy: 1.4814650094615924
Energy: 1.4009968175149556
Energy: 1.3654830558371618
Energy: 1.4320222970976262
Energy: 1.3696894130975803
Energy: 1.4009968175174952
Energy: 1.3654830558337763
Energy: 1.43202229709551
Energy: 1.3707566537869524
Energy: 1.3357375511723728
Energy: 1.4088339572999344
Energy: 1.3331858897329618
Energy: 1.370756653789492
Energy: 1.3357375511723728
Energy: 1.4088339572982416
Energy: 1.375778320828736
Energy: 1.487505084595934
Energy: 1.3605692615023746
Energy: 1.4057713469826598
Energy: 1.3757783208223877
Energy: 1.487505084594664
Energy: 1.360569261505337
Energy: 1.3706718462721252
Energy: 1.3655112812068884
Energy: 1.5010610188593945
Energy: 1.3679133342226117
Energy: 1.3706718462691627
Energy: 1.3655112812115435
Energy: 1.5010610188513533
Energy: 1.363968995865197
Energy: 1.373927878220706
Energy: 1.494696735796265
Energy: 1.3440355839283362
Energy: 1.3639689958681596
Energy: 1.3739278782262077
Energy: 1.4946967357975345
Energy: 1.366007401687727
Energy: 1.374131786806114
Energy: 1.4745970102429347
Energy: 1.3635964674088412
Energy: 1.3660074016839183
Energy: 1.3741317868053062
Energy: 1.4745970102412418

minimum gb energy = 1.3288232573611112 eV
minimum distance =  2.19940486681316 Angstroms
sigma value = 39


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

Energy: 1.3212233013518346
Energy: 1.3715034939960282
Energy: 1.4064093393108286
Energy: 1.3714055461789745
Energy: 1.3212233013582821
Energy: 1.3715034939935309
Energy: 1.40570579992496
Energy: 1.3020554050927313
Energy: 1.4407730503524028
Energy: 1.239203764039668
Energy: 1.4407271954692442
Energy: 1.3020554051027207
Energy: 1.4407730503464546
Energy: 1.2392037640226858
Energy: 1.3209705394094424
Energy: 1.2341767362092368
Energy: 1.3440888409163112
Energy: 1.318467141698293
Energy: 1.3209705394104414
Energy: 1.2341767362012452
Energy: 1.3440888409158116
Energy: 1.3031737341859684
Energy: 1.4407383126328412
Energy: 1.2393819505198904
Energy: 1.373417940676606
Energy: 1.3031737341824723
Energy: 1.4407383126168585
Energy: 1.2393819505228876
Energy: 1.4100475590318082
Energy: 1.3185392254700414
Energy: 1.3180307560609485
Energy: 1.3185144037602334
Energy: 1.4100475590318082
Energy: 1.318539225478033
Energy: 1.318030756053956
Energy: 1.3032840603987066
Energy: 1.3265935895509549
Energy: 1.423851285314512
Energy: 1.3725186873518598
Energy: 1.3032840604022027
Energy: 1.3265935895539522
Energy: 1.423851285309517
Energy: 1.5083385919358807
Energy: 1.3179895673891706
Energy: 1.3448633123500955
Energy: 1.317982393194383
Energy: 1.5083385919343824
Energy: 1.3179895673916682
Energy: 1.2972256815242929
Energy: 1.3033213387970308
Energy: 1.2510290191130442
Energy: 1.4223655815236786
Energy: 1.2507268505247087
Energy: 1.3033213387900382
Energy: 1.2510290191240327
Energy: 1.4223655815261762
Energy: 1.5086794443768752
Energy: 1.3178070608148507
Energy: 1.341834262667954
Energy: 1.3186545607799083
Energy: 1.5086794443738785
Energy: 1.3178070608163488
Energy: 1.3418342626609614
Energy: 1.3030822523819663
Energy: 1.3725276833886773
Energy: 1.4237463144120388
Energy: 1.3266013104686079
Energy: 1.3030822523614882
Energy: 1.3725276833891766
Energy: 1.4237463143946025
Energy: 1.4103082260965183
Energy: 1.3187670799964113
Energy: 1.2772165911595676
Energy: 1.3184326998241214
Energy: 1.4103082261125015
Energy: 1.3187670799889193
Energy: 1.3613887350064118
Energy: 1.3029093239166942
Energy: 1.3734662521039682
Energy: 1.2393885955524577
Energy: 1.44071949551904
Energy: 1.3029093239246858
Energy: 1.3734662520869863
Energy: 1.2393885955764323
Energy: 1.3207800051175351
Energy: 1.3185028205020866
Energy: 1.3516347820083732
Energy: 1.2341478033993094
Energy: 1.3207800051125402
Energy: 1.318502820509079
Energy: 1.374049137037523
Energy: 1.3020485009415916
Energy: 1.4407727238710684
Energy: 1.2395805221883909
Energy: 1.440762965355109
Energy: 1.302048500928106
Energy: 1.440772723885553
Energy: 1.2395805221574236
Energy: 1.321223301356784
Energy: 1.3715034939925321
Energy: 1.4064093393108286
Energy: 1.3714055461774763
Energy: 1.3212233013607795
Energy: 1.3715034939895354
Energy: 1.40570579992496
Energy: 1.3020554050917323
Energy: 1.440773050351449
Energy: 1.23920376403767
Energy: 1.4407271954737395
Energy: 1.302055405101722
Energy: 1.440773050345955
Energy: 1.2392037640221865
Energy: 1.3209705394134381
Energy: 1.2341767362077385
Energy: 1.3440888409188085
Energy: 1.318467141698293
Energy: 1.3209705394104414
Energy: 1.2341767362012452
Energy: 1.34408884091731
Energy: 1.3031737341889653
Energy: 1.4407383126363378
Energy: 1.239381950519391
Energy: 1.3734179406741087
Energy: 1.303173734185469
Energy: 1.4407383126168585
Energy: 1.2393819505223878
Energy: 1.4100475590328074
Energy: 1.318539225468543
Energy: 1.318030756060449
Energy: 1.318514403757736
Energy: 1.4100475590313089
Energy: 1.3185392254760353
Energy: 1.318030756053956
Energy: 1.3032840603997053
Energy: 1.3265935895494567
Energy: 1.4238512853165097
Energy: 1.3725186873493624
Energy: 1.3032840604022027
Energy: 1.3265935895534526
Energy: 1.423851285311515
Energy: 1.5083385919348817
Energy: 1.3179895673891706
Energy: 1.297225681521296
Energy: 1.3179823931958814
Energy: 1.5083385919303869
Energy: 1.3179895673916682
Energy: 1.2972256815277892
Energy: 1.3033213388015261
Energy: 1.2510290191095481
Energy: 1.4223655815246778
Energy: 1.2507268505237097
Energy: 1.3033213387965314
Energy: 1.2510290191235334
Energy: 1.422365581527175
Energy: 1.5086794443723799
Energy: 1.31780706081535
Energy: 1.3418342626634585
Energy: 1.3186545607809073
Energy: 1.5086794443733786
Energy: 1.3178070608203445
Energy: 1.3418342626564659
Energy: 1.303082252382466
Energy: 1.3725276833881774
Energy: 1.4237463144110398
Energy: 1.3266013104701064
Energy: 1.3030822523609886
Energy: 1.3725276833886773
Energy: 1.4237463143926046
Energy: 1.410308226100514
Energy: 1.3187670799914164
Energy: 1.2391593289921707
Energy: 1.318432699822623
Energy: 1.4103082261105035
Energy: 1.318767079985423
Energy: 1.3106031403087839
Energy: 1.3029093239171938
Energy: 1.3734662521039682
Energy: 1.2393885955564534
Energy: 1.440719495518041
Energy: 1.3029093239236866
Energy: 1.3734662520924803
Energy: 1.2393885955784303
Energy: 1.3207800051180345
Energy: 1.3185028205055827
Energy: 1.3740491370295314
Energy: 1.2341478033968118
Energy: 1.3207800051105423
Energy: 1.318502820509079
Energy: 1.374049137036524
Energy: 1.3020485009425906
Energy: 1.4407727238710684
Energy: 1.2395805221868923
Energy: 1.4407629653586054
Energy: 1.3020485009276064
Energy: 1.440772723884554
Energy: 1.2395805221539273
Energy: 1.3212233013488377
Energy: 1.3715034939955288
Energy: 1.4057057999179674
Energy: 1.371405546178475
Energy: 1.321223301354786
Energy: 1.3715034939940303
Energy: 1.405705799922463
Energy: 1.302055405092232
Energy: 1.4407730503524028
Energy: 1.239203764038669
Energy: 1.4407271954692442
Energy: 1.3020554051027207
Energy: 1.440773050346954
Energy: 1.2392037640226858

minimum gb energy = 1.2341478033968118 eV
minimum distance =  2.23601646692483 Angstroms
sigma value = 21


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

Energy: 1.4036260156328373
Energy: 1.445774191171469
Energy: 1.396102151094908
Energy: 1.446273696147729
Energy: 1.4036260156358689
Energy: 1.4457741911708626
Energy: 1.3961021510833878
Energy: 1.4402590624819958
Energy: 1.3433159363579468
Energy: 1.3134085023605493
Energy: 1.3430246629851201
Energy: 1.4402590624904845
Energy: 1.3433159363524898
Energy: 1.3134085023538795
Energy: 1.3768441406865544
Energy: 1.343273957548149
Energy: 1.3733559314794535
Energy: 1.3425789209887875
Energy: 1.376844140685342
Energy: 1.343273957550574
Energy: 1.3733559314842767
Energy: 1.4207460160950607
Energy: 1.341964167012692
Energy: 1.3750164622854821
Energy: 1.3428838230217177
Energy: 1.4207460160896037
Energy: 1.3419641670223939
Energy: 1.3750164622873011
Energy: 1.3399000626862647
Energy: 1.2808952954020028
Energy: 1.336809661919458
Energy: 1.3785343245957926
Energy: 1.3399000626886899
Energy: 1.2808952954013966
Energy: 1.3368096619164263
Energy: 1.4206826879819123
Energy: 1.3391820890932844
Energy: 1.3848795740446804
Energy: 1.3531620032541118
Energy: 1.4206826879770618
Energy: 1.3391820890860082
Energy: 1.3848795740495314
Energy: 1.3790124872431575
Energy: 1.2823872491549597
Energy: 1.3382179514361168
Energy: 1.3478233489916995
Energy: 1.3790124872340626
Energy: 1.2823872491549597
Energy: 1.3382179514367232
Energy: 1.4087131926302336
Energy: 1.3402219260412334
Energy: 1.3844771405135126
Energy: 1.349750920714767
Energy: 1.408713192620532
Energy: 1.3402219260382016
Energy: 1.3844771405238205
Energy: 1.3788387427130295
Energy: 1.3496347030392226
Energy: 1.368380364859914
Energy: 1.3797528459209218
Energy: 1.3788387427203057
Energy: 1.3496347030404356
Energy: 1.368380364866584
Energy: 1.3774258159102737
Energy: 1.3405781253740998
Energy: 1.2831696022196353
Energy: 1.349949733027125
Energy: 1.377425815912699
Energy: 1.3405781253644258
Energy: 1.2831696022208479
Energy: 1.4112731424086895
Energy: 1.346063629269196
Energy: 1.3360092050105472
Energy: 1.3528138262853147
Energy: 1.4112731424111147
Energy: 1.3460636292758659
Energy: 1.3360092050105472
Energy: 1.2769379990934862
Energy: 1.3732189740447485
Energy: 1.2885844628159444
Energy: 1.2915392253156026
Energy: 1.276937999100156
Energy: 1.3732189740502054
Energy: 1.2885844628177634
Energy: 1.4112492114592743
Energy: 1.3494269980547176
Energy: 1.3681812322688207
Energy: 1.3106866563998807
Energy: 1.411249211461093
Energy: 1.3494269980492604
Energy: 1.3605949503205443
Energy: 1.277249422472015
Energy: 1.3760389721427058
Energy: 1.38262965543217
Energy: 1.2886888660021114
Energy: 1.277249422488965
Energy: 1.3760389721427058
Energy: 1.3826296554394462
Energy: 1.4239811917196232
Energy: 1.290993814443164
Energy: 1.3178343368454686
Energy: 1.3446956731568138
Energy: 1.423981191724474
Energy: 1.2909938144419517
Energy: 1.3178343368363734
Energy: 1.2770834774660282
Energy: 1.4439898535828082
Energy: 1.3678321920773042
Energy: 1.3568255096052564
Energy: 1.2770834774720918
Energy: 1.4439898535749534
Energy: 1.3678321920809422
Energy: 1.421241598172375
Energy: 1.2906680337780634
Energy: 1.4037944375093683
Energy: 1.3449141017263246
Energy: 1.4212415981608546
Energy: 1.290668033773819
Energy: 1.403794437502092
Energy: 1.2769411838438527
Energy: 1.3394172426547153
Energy: 1.3676789943213699
Energy: 1.3835940118625745
Energy: 1.276941183843246
Energy: 1.3394172426528963
Energy: 1.367678994330465
Energy: 1.3516780456220927
Energy: 1.2906745133422228
Energy: 1.442087891708008
Energy: 1.3463988198045471
Energy: 1.3516780456245179
Energy: 1.2906745133494988
Energy: 1.4420878917086146
Energy: 1.2775720980317093
Energy: 1.3741127683036771
Energy: 1.3568382601895745
Energy: 1.373941441639919
Energy: 1.2775720980377727
Energy: 1.374112768297614
Energy: 1.356838260196244
Energy: 1.3516681050516715
Energy: 1.346409941210008
Energy: 1.442112487434409
Energy: 1.2908123081971565
Energy: 1.3516681050474546
Energy: 1.3464099412015191
Energy: 1.4421124874441102
Energy: 1.2769730814964957
Energy: 1.3834074706431596
Energy: 1.3673158417650058
Energy: 1.3397456347716186
Energy: 1.276973081484369
Energy: 1.3834074706461914
Energy: 1.367315841761368
Energy: 1.4218978090518337
Energy: 1.3447005029640589
Energy: 1.4037584617745418
Energy: 1.290800288968918
Energy: 1.4218978090445575
Energy: 1.3447005029592083
Energy: 1.4037584617787862
Energy: 1.2770715746794783
Energy: 1.3568623791931278
Energy: 1.368251786421952
Energy: 1.443859416705576
Energy: 1.277071574677053
Energy: 1.3568623792004038
Energy: 1.3682517864243775
Energy: 1.4235319945500302
Energy: 1.3450440207533956
Energy: 1.2506922732092913
Energy: 1.2911013327736118
Energy: 1.4235319945494238
Energy: 1.3450440207570336
Energy: 1.250692273208079

minimum gb energy = 1.250692273208079 eV
minimum distance =  2.21732990887998 Angstroms
sigma value = 113


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

Energy: 1.3736662925371963
Energy: 1.4415109008803295
Energy: 1.334983928206094
Energy: 1.4415568216897672
Energy: 1.3736662925507321
Energy: 1.4415109008634712
Energy: 1.3647019646379859
Energy: 1.443801346061337
Energy: 1.3449320794832695
Energy: 1.298750717536065
Energy: 1.3448934386080924
Energy: 1.4438013460714891
Energy: 1.3449320794968056
Energy: 1.2987507175563686
Energy: 1.3474081395373163
Energy: 1.3719608712527507
Energy: 1.3775373224482639
Energy: 1.289094580217454
Energy: 1.3474081395305484
Energy: 1.3719608712425986
Energy: 1.3775373224651837
Energy: 1.3202741892296932
Energy: 1.388142000674722
Energy: 1.2864530312581022
Energy: 1.3545139383265303
Energy: 1.3202741892229253
Energy: 1.3881420006611862
Energy: 1.286453031146493
Energy: 1.350656594706627
Energy: 1.3190248663842874
Energy: 1.3592458029984231
Energy: 1.3159199777414559
Energy: 1.3506565946796165
Energy: 1.3190248663775197
Energy: 1.3592458030051908
Energy: 1.3204295755765911
Energy: 1.3227536536083502
Energy: 1.3845889392415107
Energy: 1.2998449198285444
Energy: 1.3204295755833588
Energy: 1.3227536536049664
Energy: 1.3845889392685824
Energy: 1.3582446574054687
Energy: 1.2991689695366322
Energy: 1.3740891750902076
Energy: 1.3349862323871222
Energy: 1.3582446574223885
Energy: 1.2991689695130064
Energy: 1.4027548422458598
Energy: 1.3140066815226465
Energy: 1.3435781913829152
Energy: 1.4061323033162292
Energy: 1.292176980343196
Energy: 1.314006681512495
Energy: 1.3435781913829152
Energy: 1.4061323032993094
Energy: 1.3584076534927514
Energy: 1.3395776117765443
Energy: 1.4789444858416865
Energy: 1.3011494994925838
Energy: 1.358407653509671
Energy: 1.3395776118103222
Energy: 1.4789444858450704
Energy: 1.29977010982327
Energy: 1.3437494372048033
Energy: 1.4147875714898452
Energy: 1.313338849100861
Energy: 1.2997701097894303
Energy: 1.3437494372081873
Energy: 1.414787571486461
Energy: 1.3329709459494101
Energy: 1.3143513232543769
Energy: 1.4407108253693781
Energy: 1.306445465990894
Energy: 1.332970945942642
Energy: 1.3143513232915387
Energy: 1.4407108253456904
Energy: 1.299800268714415
Energy: 1.2819576283518967
Energy: 1.417432612305442
Energy: 1.2918041680288814
Energy: 1.2998002686805754
Energy: 1.2819576283789684
Energy: 1.4174326123223615
Energy: 1.3785494221748051
Energy: 1.340755176639296
Energy: 1.4440899482831957
Energy: 1.2895870761111818
Energy: 1.3785494221950472
Energy: 1.340755176612224
Energy: 1.4440899482425882
Energy: 1.3962968860452991
Energy: 1.3689224767671835
Energy: 1.402175126380726
Energy: 1.3157614134404565
Energy: 1.3962968860419154
Energy: 1.368922476780719
Energy: 1.402175126377342
Energy: 1.3768426416756192
Energy: 1.3840651698638067
Energy: 1.447956517760512
Energy: 1.3566426800283955
Energy: 1.3768426416789417
Energy: 1.3840651698435644
Energy: 1.4479565177334404
Energy: 1.3821261146330555
Energy: 1.2829762474569664
Energy: 1.4011346996429808
Energy: 1.3026236704315506
Energy: 1.3821261146364392
Energy: 1.2829762474332786
Energy: 1.4011346996395968
Energy: 1.3559172414495857
Energy: 1.3406079405320988
Energy: 1.4408721450791193
Energy: 1.3336095110879893
Energy: 1.3559172414698897
Energy: 1.340607940538867
Energy: 1.4408721450689674
Energy: 1.2997301661519058
Energy: 1.2901661814274379
Energy: 1.3991976534379873
Energy: 1.3331124591233154
Energy: 1.2997301661552898
Energy: 1.2901661814375895
Energy: 1.3991976534346031
Energy: 1.3558816289600313
Energy: 1.32954916067283
Energy: 1.3757134861171705
Energy: 1.3639042602015616
Energy: 1.3558816289498796
Energy: 1.329549160666062
Energy: 1.3757134861205542
Energy: 1.3002592544763898
Energy: 1.3013822491509408
Energy: 1.4493012661953488
Energy: 1.2780294270665977
Energy: 1.3002592545068454
Energy: 1.3013822491712446
Energy: 1.4493012662122686
Energy: 1.3532620776833058
Energy: 1.3011985383298834
Energy: 1.3889167577678228
Energy: 1.3707428961265284
Energy: 1.3532620777137614
Energy: 1.3011985383298834
Energy: 1.3889167577847423
Energy: 1.3014503721222688
Energy: 1.3121325048675352
Energy: 1.405041922230515
Energy: 1.3081609125646687
Energy: 1.301450372115501
Energy: 1.3121325048607675
Energy: 1.4050419222575865
Energy: 1.3532974967776532
Energy: 1.2992667791102006
Energy: 1.327303096472394
Energy: 1.4096581282682445
Energy: 1.3532974967844213
Energy: 1.2992667791608985
Energy: 1.32730309646901
Energy: 1.3248317857806435
Energy: 1.3097568699713926
Energy: 1.380968135813378
Energy: 1.3059738799552267
Energy: 1.3248317857772594
Energy: 1.3097568699950188
Energy: 1.380968135816762
Energy: 1.353191420164972
Energy: 1.3641377039329643
Energy: 1.3872980301227997
Energy: 1.4311912791179802
Energy: 1.3531914201615878
Energy: 1.3641377039228126
Energy: 1.3872980301431037
Energy: 1.3309326852846237
Energy: 1.374308405477497
Energy: 1.443338353755391
Energy: 1.3109912967024226
Energy: 1.3309326852778558
Energy: 1.3743084054571928
Energy: 1.4433383537452389
Energy: 1.4818401110865247
Energy: 1.3851020253821134
Energy: 1.2925567069414878
Energy: 1.4046992698189023
Energy: 1.4818401110628985
Energy: 1.3851020254023556
Energy: 1.2925567069516397
Energy: 1.3530639837740768
Energy: 1.440533818822726
Energy: 1.3914798884015005
Energy: 1.377381973945259
Energy: 1.353063983763925
Energy: 1.4405338188464136
Energy: 1.3914798883642767
Energy: 1.481462789399372
Energy: 1.3859360075124203
Energy: 1.3224387963644786
Energy: 1.4045842694769983
Energy: 1.481462789392604
Energy: 1.3859360075530278
Energy: 1.3224387963475588
Energy: 1.353018254905421
Energy: 1.3415278127007546
Energy: 1.4655839780238726
Energy: 1.3094287834662024
Energy: 1.353018254925725
Energy: 1.3415278127142907
Energy: 1.4655839780171045
Energy: 1.3689111905494542
Energy: 1.38558414087953
Energy: 1.4407924736181736
Energy: 1.4047302977707459
Energy: 1.3689111905426865
Energy: 1.3855841408862979
Energy: 1.440792473668933
Energy: 1.3314857554794357
Energy: 1.2922691243094804
Energy: 1.3996052927684526
Energy: 1.2857969946345205
Energy: 1.3314857554489798
Energy: 1.2922691243128641
Energy: 1.3996052927583007
Energy: 1.3690243291073938
Energy: 1.3202952218672943
Energy: 1.3827751527565646
Energy: 1.3701663465892064
Energy: 1.3690243290938577
Energy: 1.3202952218639101
Energy: 1.3827751527667165
Energy: 1.3626679377815987
Energy: 1.291871846261325
Energy: 1.3576018053036705
Energy: 1.2937674400281636
Energy: 1.3626679377849829
Energy: 1.291871846261325
Energy: 1.3576018053239742
Energy: 1.3601365950297113
Energy: 1.3189040955822222
Energy: 1.3527703563471376
Energy: 1.3354819417715402
Energy: 1.3601365950263886
Energy: 1.3189040955957578
Energy: 1.3527703563640574
Energy: 1.3626572779571704
Energy: 1.3164225276933115
Energy: 1.3772002081837065
Energy: 1.3316666769966277
Energy: 1.3626572779504023
Energy: 1.3164225277068475
Energy: 1.3772002081904742
Energy: 1.3600839664011428
Energy: 1.3282202965295662
Energy: 1.419530507063605
Energy: 1.357859228753697
Energy: 1.3600839664011428
Energy: 1.32822029654987
Energy: 1.4195305070805249
Energy: 1.3471268210950618
Energy: 1.3138937873103016
Energy: 1.3823055338845294
Energy: 1.3320157593320012
Energy: 1.3471268210882938
Energy: 1.3138937873103016
Energy: 1.3823055338811452
Energy: 1.3600774332823362
Energy: 1.3618252872261452
Energy: 1.3993462772414558
Energy: 1.3342067363059522
Energy: 1.3600774332823362
Energy: 1.3618252872362355
Energy: 1.3993462772617598
Energy: 1.3760271152369628
Energy: 1.329521462446276
Energy: 1.3843540051706211
Energy: 1.3682509104267448
Energy: 1.3760271152369628
Energy: 1.329521462442892
Energy: 1.3843540051672374
Energy: 1.4109643282979616
Energy: 1.3435972524525117
Energy: 1.3989709056778064
Energy: 1.33413321047329
Energy: 1.41096432828781
Energy: 1.3435972524659856
Energy: 1.3989709056541184
Energy: 1.3762617055253725
Energy: 1.3609082696392911
Energy: 1.485668223203025
Energy: 1.419788004092659
Energy: 1.3762617055219883
Energy: 1.3609082696257555
Energy: 1.485668223192873
Energy: 1.3460067123431638
Energy: 1.3442185971319818
Energy: 1.3268150944395705
Energy: 1.3343303117880274
Energy: 1.3460067123262442
Energy: 1.344218597118446
Energy: 1.32681509445649
Energy: 1.3627605399220595
Energy: 1.3247571573659818
Energy: 1.4845329812334394
Energy: 1.3369455650138469
Energy: 1.3627605399491312
Energy: 1.3247571573795174
Energy: 1.4845329812469754
Energy: 1.3040112998372326
Energy: 1.3424026107866192
Energy: 1.3264871482955436
Energy: 1.3650633664675669
Energy: 1.3040112998338487
Energy: 1.342402610793387
Energy: 1.32648714829216

minimum gb energy = 1.2780294270665977 eV
minimum distance =  2.21176411843064 Angstroms
sigma value = 365


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

Energy: 1.3328712087728405
Energy: 1.2488726262025192
Energy: 1.2931854742469815
Energy: 1.24887262620023
Energy: 1.3328712087682628
Energy: 1.2488726261971785
Energy: 1.1492038618081237
Energy: 1.3328712087758923
Energy: 1.2488726261911094
Energy: 1.276113859532226
Energy: 1.2488726261918723
Energy: 1.3328712087705514
Energy: 1.24887262620023
Energy: 1.2761138595200185
Energy: 1.3328712087774182
Energy: 1.2488726261987042
Energy: 1.1537500090692407
Energy: 1.2488726262025192
Energy: 1.3328712087758923
Energy: 1.2488726261888206
Energy: 1.0965284330507405
Energy: 1.3328712087705514
Energy: 1.248872626204045
Energy: 1.2329196971075491
Energy: 1.2488726261979413
Energy: 1.3328712087652108
Energy: 1.2488726261979413
Energy: 1.2761138595421444
Energy: 1.3328712087804697
Energy: 1.2488726261872947
Energy: 1.0965284334427263
Energy: 1.2488726261918723
Energy: 1.3328712087751293
Energy: 1.2488726262048078
Energy: 1.0965284322629547
Energy: 1.3328712087743664
Energy: 1.2488726261971785
Energy: 1.285133701856405
Energy: 1.2488726262009933
Energy: 1.3328712087713144
Energy: 1.2488726261880576
Energy: 1.285133701844961
Energy: 1.3328712087743664
Energy: 1.2488726262048078
Energy: 1.1677758548797685
Energy: 1.2488726261979413
Energy: 1.3328712087690253
Energy: 1.2488726261994674
Energy: 1.1624933517601526
Energy: 1.3328712087751293
Energy: 1.2488726261926353
Energy: 1.1870069896631228
Energy: 1.2488726261911094
Energy: 1.3328712087720773
Energy: 1.248872626204045
Energy: 1.1870071992713456
Energy: 1.3328712087774182
Energy: 1.2488726261971785
Energy: 1.0965284403588809
Energy: 1.248872626204045
Energy: 1.3328712087743664
Energy: 1.2488726261903467
Energy: 1.096528441091006
Energy: 1.3328712087713144
Energy: 1.24887262620023
Energy: 1.1626432157275048
Energy: 1.2488726261987042
Energy: 1.332871208762922
Energy: 1.24887262620023
Energy: 1.149203839705969
Energy: 1.3328712087789438
Energy: 1.2488726261918723
Energy: 1.0965284409567604
Energy: 1.2488726261888206
Energy: 1.3328712087743664
Energy: 1.2488726262009933
Energy: 1.4393754945561228
Energy: 1.3328712087728405
Energy: 1.2488726262017562
Energy: 1.2761138595223076
Energy: 1.2488726261971785
Energy: 1.3328712087705514
Energy: 1.2488726261903467
Energy: 1.2761138595375665
Energy: 1.3328712087728405
Energy: 1.2488726262017562
Energy: 1.2761138595429071
Energy: 1.2488726262017562
Energy: 1.3328712087682628
Energy: 1.24887262620023
Energy: 1.1824393341215276
Energy: 1.3328712087766552
Energy: 1.2488726261941265
Energy: 1.2761138595307
Energy: 1.2488726261926353
Energy: 1.3328712087728405
Energy: 1.248872626203282
Energy: 1.3503808175818175
Energy: 1.3328712087766552
Energy: 1.2488726261994674
Energy: 1.2761138595177297
Energy: 1.2488726261987042
Energy: 1.3328712087751293
Energy: 1.2488726261872947
Energy: 1.2761138595413815
Energy: 1.3328712087705514
Energy: 1.24887262620023
Energy: 1.2761138595398556
Energy: 1.2488726262025192
Energy: 1.3328712087667367
Energy: 1.2488726262017562
Energy: 1.1537500035173889
Energy: 1.332871208779707
Energy: 1.2488726261857688
Energy: 1.276113859532226
Energy: 1.2488726261888206
Energy: 1.3328712087728405
Energy: 1.2488726262025192
Energy: 1.4216293459667781
Energy: 1.3328712087758923
Energy: 1.2488726261964156
Energy: 1.2761138595207817
Energy: 1.2488726262017562
Energy: 1.3328712087728405
Energy: 1.2488726261941265
Energy: 1.2761138595329888
Energy: 1.3328712087720773
Energy: 1.2488726262017562
Energy: 1.2761138595436703
Energy: 1.2488726261979413
Energy: 1.3328712087682628
Energy: 1.2488726261994674
Energy: 1.1624932690307295
Energy: 1.3328712087751293
Energy: 1.2488726261911094
Energy: 1.2761138595253594
Energy: 1.2488726261941265
Energy: 1.3328712087720773
Energy: 1.248872626203282
Energy: 1.256822268519267

minimum gb energy = 1.0965284322629547 eV
minimum distance =  2.18533782322324 Angstroms
sigma value = 23