Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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=3.5224674642086033
cohesive_energy=4.44900897936396
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=[3.6166253594608797e-19, 4.2564385764824396e-19, 4.66270250556582e-19, 4.9848521613642e-19, 5.25419407530594e-19, 5.48566053361992e-19, 5.688544160783339e-19, 5.86991055575214e-19, 6.03656896922082e-19, 6.18943264187076e-19, 6.32898222669216e-19, 6.455938703170321e-19, 6.57113520315492e-19, 6.67532474966394e-19, 6.76826701620228e-19, 6.849657589209479e-19, 6.91960862104992e-19, 6.97839248175138e-19, 7.02640971547236e-19, 7.064221084034759e-19, 7.09257961045656e-19, 7.11217423069038e-19, 7.123645815389819e-19, 7.12753910461044e-19, 7.122556335278699e-19, 7.1047561528749605e-19, 7.06917180983382e-19, 7.0100194485065395e-19, 6.920393687600579e-19, 6.792155469815219e-19, 6.615643670047439e-19, 6.379002181205639e-19, 6.06779539181748e-19, 5.66515238192694e-19, 5.151414444234839e-19, 4.50293345162334e-19, 3.6909823770448196e-19, 2.68159507585848e-19, 1.434393492534252e-19, -1.002244797751968e-20, -1.98762828860772e-19, -4.35570944072508e-19, -7.412037609509819e-19, -1.14329722425606e-18, -1.6786004594418e-18, -2.3959269820162798e-18, -3.36324112479378e-18, -4.6808391450627e-18, -6.512543603649539e-18, -9.1541964160224e-18, -1.3153934252205357e-17, -1.9585808262333e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.022132608231087876
Energy: 0.7870577179498395
Energy: 0.5272250179165692
Energy: 1.2014453822417137
Energy: 1.2034308340819877
Energy: 0.3919204396426278
Energy: 0.023357002511081547
Energy: 0.13529295360902824
Energy: 1.0880999180401465
Energy: 0.31907571936906626
Energy: 0.5274910094414389
Energy: 0.7855276932974663
Energy: 0.023302919768111625
Energy: 0.13625652919448886
Energy: 0.022603738033346872
Energy: 1.0881268342008052
Energy: 0.7297144260997674
Energy: 0.7299808852463636
Energy: 0.9973839128731427
Energy: 0.13488543530878858
Energy: 0.13645904689016813
Energy: 0.025951582545110815
Energy: 0.7863153641971179
Energy: 0.5270311332417162
Energy: 1.201607813974764
Energy: 1.2017682194848012
Energy: 0.13574934246428166
Energy: 0.023364948024237643
Energy: 0.3869287430982967
Energy: 1.0908883372920466
Energy: 0.3187294169016765
Energy: 0.52715728090706
Energy: 0.8149307012007773
Energy: 0.02305439665341171
Energy: 0.13582772706469678
Energy: 0.022745967548642446
Energy: 0.9973712231152869
Energy: 0.7298181560796474
Energy: 0.7303646021054547
Energy: 0.9979238435499259
Energy: 0.1346625175684123
Energy: 0.13619399539544433

minimum gb energy = 0.022132608231087876 eV
minimum distance =  2.47135436067052 Angstroms
sigma value = 5


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

Energy: 1.4621914834725729
Energy: 1.7693644627767564
Energy: 1.5074264184332165
Energy: 1.5582674013280424
Energy: 1.5631325213838667
Energy: 1.4519235929408232
Energy: 1.3714483205322494
Energy: 1.3153411765503062
Energy: 1.534466904971553
Energy: 1.3369373663216313
Energy: 1.4619436269836623
Energy: 1.3988059585796895
Energy: 1.3728049557540745
Energy: 1.469746322304073
Energy: 1.4204123701853908
Energy: 1.4952507226182479
Energy: 1.3208640120320554
Energy: 1.4952640657237641
Energy: 1.415219352167966
Energy: 1.4531850982528647
Energy: 1.4914266697563106
Energy: 1.3312016071908312
Energy: 1.5662105312280432
Energy: 1.3336946238717844
Energy: 1.5552329003993606
Energy: 1.4276320555275965
Energy: 1.3396374305445542
Energy: 1.4853311965075626
Energy: 1.41734322341635
Energy: 1.4233077972182857
Energy: 1.4236117044685674
Energy: 1.3651956771909248
Energy: 1.4837209391786577
Energy: 1.4373216688790045
Energy: 1.5198228486771062
Energy: 1.3343465576430475
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Energy: 1.4335909944392107
Energy: 1.4112762786522575
Energy: 1.4264506858129429
Energy: 1.4054828913365793
Energy: 1.4514737062113534
Energy: 1.4383135061801282
Energy: 1.4717316540931318
Energy: 1.3354995711113118
Energy: 1.5028051440433254
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Energy: 1.4023987336124697
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Energy: 1.5158499709266227
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Energy: 1.3699707951106512
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Energy: 1.347897405895661
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Energy: 1.4491500939364912
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Energy: 1.3679994082876277
Energy: 1.4268292168380725
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Energy: 1.5335302509503914
Energy: 1.3294671073254116
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Energy: 1.3319932871956242
Energy: 1.5272205926624027
Energy: 1.4252102781852911
Energy: 1.4479486846802088
Energy: 1.4922757716074297
Energy: 1.4335215110130541
Energy: 1.3910540803485534
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Energy: 1.3432440813178117
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Energy: 1.4798810827659767
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Energy: 1.5545799347961664
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Energy: 1.4709458923356826
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Energy: 1.5508717944043877
Energy: 1.388478706683001
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Energy: 1.387368766858873
Energy: 1.3743093103183177
Energy: 1.416753650259632
Energy: 1.4532854140367082
Energy: 1.45472405795455
Energy: 1.418506964133175
Energy: 1.443054195832531
Energy: 1.4626069355937377
Energy: 1.4201826114552039
Energy: 1.4531445856941847
Energy: 1.461998117686827
Energy: 1.5028288334809656
Energy: 1.3724958370246014
Energy: 1.5115531659181125
Energy: 1.280072025297535
Energy: 1.3894351042695985
Energy: 1.417386948666216
Energy: 1.3253690084049203
Energy: 1.4682090260646934
Energy: 1.4825462035218522
Energy: 1.396739876495893
Energy: 1.5013105049878628
Energy: 1.4754612585127738
Energy: 1.4975530500930239
Energy: 1.5131178769364348
Energy: 1.6397746608070383
Energy: 1.288240704322643
Energy: 1.5490745292033594
Energy: 1.342241247091636
Energy: 1.424612158094003
Energy: 1.4745660940157757
Energy: 1.3498004435671838
Energy: 1.414380340747138
Energy: 1.5729607464648898
Energy: 1.4748926105759674
Energy: 1.4233787170618968
Energy: 1.48867236050645
Energy: 1.5298562301322283
Energy: 1.5050842798918644
Energy: 1.4243973369135492
Energy: 1.3481601072936358
Energy: 1.4542356389769031
Energy: 1.4042609884262391
Energy: 1.4265831849435282
Energy: 1.3249763389727178
Energy: 1.344052224135103
Energy: 1.5066822110165685
Energy: 1.4099038359356122
Energy: 1.3813190402722413
Energy: 1.4979082692898058
Energy: 1.5817451557317186
Energy: 1.5187134323902924
Energy: 1.4394106704432448
Energy: 1.3824442679942035

minimum gb energy = 1.280072025297535 eV
minimum distance =  2.30113701926131 Angstroms
sigma value = 401


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

Energy: 1.4896104228573324
Energy: 1.5949247914543256
Energy: 1.3700089804398599
Energy: 1.3522442780088826
Energy: 1.4650935276493746
Energy: 1.401061217129472
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Energy: 1.3622800166850744
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Energy: 1.32331341699919
Energy: 1.587896088373921
Energy: 1.417144012318486
Energy: 1.4310113888990559
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Energy: 1.33352184240997
Energy: 1.4132920280160122
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Energy: 1.3486831550635547
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Energy: 1.3606453310785547
Energy: 1.4675528837335525
Energy: 1.3669978676725971
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Energy: 1.3469519149977542
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Energy: 1.3539015297546844
Energy: 1.4424879466652563
Energy: 1.3746609291629885
Energy: 1.5138758277056354
Energy: 1.3127726032053926
Energy: 1.3253583636276678
Energy: 1.3166857749704746
Energy: 1.3351145256570343
Energy: 1.4294583837236707
Energy: 1.3377612518829338
Energy: 1.4681938174351044
Energy: 1.4605464066705482
Energy: 1.354008022614094
Energy: 1.3416615015443645
Energy: 1.3678376041902007
Energy: 1.4763247794331193
Energy: 1.3664412052117367
Energy: 1.4157659982418775
Energy: 1.3558265309574509
Energy: 1.3699512056125105
Energy: 1.3460200991510658
Energy: 1.388224440675701
Energy: 1.4312642011537502
Energy: 1.3665427119780962
Energy: 1.3249041845265472
Energy: 1.3430362841985417
Energy: 1.3264167304273686
Energy: 1.3119658671376102
Energy: 1.3371824753414836
Energy: 1.3629626553040741
Energy: 1.3596638381978292
Energy: 1.3569983692819898
Energy: 1.3776734749570707
Energy: 1.3242973800856799
Energy: 1.3929336937503747
Energy: 1.4214392584109483
Energy: 1.4303880157604298
Energy: 1.358690370943721
Energy: 1.3630481696806045
Energy: 1.4425151365444708
Energy: 1.3470035461810916
Energy: 1.5363410875476722
Energy: 1.3689743612672443
Energy: 1.4326590835461277
Energy: 1.3647763696236253
Energy: 1.321413431075428
Energy: 1.3399444885551814
Energy: 1.3050745770216758
Energy: 1.323531689383765
Energy: 1.4060021371667921
Energy: 1.3388083980250047
Energy: 1.5824506065736055
Energy: 1.450926976953921
Energy: 1.4297669263666801
Energy: 1.3816619983280052
Energy: 1.3441700040099742
Energy: 1.3699536462600466
Energy: 1.4278706743517082
Energy: 1.4166401768032393
Energy: 1.3769604533684814
Energy: 1.3701072962135263
Energy: 1.377333348340185
Energy: 1.3528499904856113
Energy: 1.3535003680301032
Energy: 1.59452609749648
Energy: 1.486004331680517
Energy: 1.5028701468067005
Energy: 1.3332176032365914
Energy: 1.3970829771626614
Energy: 1.3356586199330855
Energy: 1.5647008493984003
Energy: 1.5407742969304048
Energy: 1.3808428727702255
Energy: 1.4030000611732958
Energy: 1.3136481788361865
Energy: 1.3541024553414562
Energy: 1.3497896688311912
Energy: 1.3389326633450944
Energy: 1.4631704976696402
Energy: 1.3730896365351912
Energy: 1.4920225606555084
Energy: 1.4943587870098611
Energy: 1.3756837810695592
Energy: 1.3468561278026463
Energy: 1.3686974520839157
Energy: 1.5079775356242096
Energy: 1.3705393660238183
Energy: 1.389749282826535
Energy: 1.3478227175035016
Energy: 1.3660440722090348
Energy: 1.363154653388804
Energy: 1.4241415310120136
Energy: 1.4308540382274944
Energy: 1.3294951854350545
Energy: 1.3892583371680223
Energy: 1.342786541993263
Energy: 1.405378647485831
Energy: 1.3894190908638706
Energy: 1.3850896063959763
Energy: 1.3453039328903156
Energy: 1.3418450247881875
Energy: 1.3388068186062072
Energy: 1.381923027498064
Energy: 1.3683356832699183
Energy: 1.602834086916307
Energy: 1.4358456681220655
Energy: 1.3436911771103524

minimum gb energy = 1.3050745770216758 eV
minimum distance =  2.30921438707882 Angstroms
sigma value = 311


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

Energy: 1.4157959383883698
Energy: 1.3899654738149323
Energy: 1.4768057152532015
Energy: 1.4676474459854105
Energy: 1.5419753336193278
Energy: 1.402229991264555
Energy: 1.4852415207301877
Energy: 1.3462351392489378
Energy: 1.3766174341307102
Energy: 1.3555533932009092
Energy: 1.3838500711102526
Energy: 1.3638497352328616
Energy: 1.3474402522620033
Energy: 1.4130427153539658
Energy: 1.4050061239207112
Energy: 1.4389057106312662
Energy: 1.4546079808457104
Energy: 1.4955393087006643
Energy: 1.3397068167251005
Energy: 1.3777333132140634
Energy: 1.3877363920684735
Energy: 1.3374780718373918
Energy: 1.503702962449143
Energy: 1.340045284118366
Energy: 1.5443730768439865
Energy: 1.4068379137366818
Energy: 1.3492048262261387
Energy: 1.3903328821526433
Energy: 1.4272678967503303
Energy: 1.3823083286170936
Energy: 1.3714917622743432
Energy: 1.477553535523813
Energy: 1.373555154605031
Energy: 1.4786251332393885
Energy: 1.3508253162368054
Energy: 1.3697906122042764
Energy: 1.3895131393823228
Energy: 1.3725227938981577
Energy: 1.3802922107449045
Energy: 1.3984245642567839
Energy: 1.3314427165323286
Energy: 1.4293774563770323
Energy: 1.4724137987333084
Energy: 1.3916114022382111
Energy: 1.4750932155623502
Energy: 1.4737368531675867
Energy: 1.5871958054287958
Energy: 1.406004054859708
Energy: 1.4741419976736982
Energy: 1.3478871171113103
Energy: 1.3801768749139183
Energy: 1.3556642147059215
Energy: 1.3839739057078726
Energy: 1.4371780967349983
Energy: 1.3858794951232565
Energy: 1.4220089968156002
Energy: 1.428908138447212
Energy: 1.309535370437065
Energy: 1.4522704328857199
Energy: 1.4108347514087507
Energy: 1.365326422588245
Energy: 1.376910112468918
Energy: 1.4524510816178848
Energy: 1.3382443621782167
Energy: 1.5026884466883423
Energy: 1.3409273646605389
Energy: 1.5431471903635257
Energy: 1.4065101948410472
Energy: 1.3488279828806453
Energy: 1.379711967325243
Energy: 1.427005009624606
Energy: 1.385546211551284
Energy: 1.3704228731132013
Energy: 1.4771271709754932
Energy: 1.372828176232406
Energy: 1.4787885892531667
Energy: 1.3791317818488007
Energy: 1.3707306353598223
Energy: 1.4226752563608995
Energy: 1.3739167126766738
Energy: 1.3826511055240487
Energy: 1.3594306977758455
Energy: 1.3325316868108599
Energy: 1.4030555630628703
Energy: 1.4745989505635557
Energy: 1.4128624356011081
Energy: 1.420885791279551
Energy: 1.4764963580103747
Energy: 1.4649820284690085
Energy: 1.4082458662284827
Energy: 1.4747048496620119
Energy: 1.3864853049342838
Energy: 1.4203733014289006
Energy: 1.3556712280095007
Energy: 1.4172093155008725
Energy: 1.4350783349091176
Energy: 1.3864560724516062
Energy: 1.502075560992456
Energy: 1.38328985776525
Energy: 1.397092233830496
Energy: 1.3618239561705205
Energy: 1.427681385833688
Energy: 1.3650219876017298
Energy: 1.4117361738858565
Energy: 1.463173576942947
Energy: 1.3390831543101054
Energy: 1.4293905505677678
Energy: 1.3440372752544048
Energy: 1.4273517185371714
Energy: 1.4078473378645493
Energy: 1.324294789820022
Energy: 1.37715086890524
Energy: 1.373396601769197
Energy: 1.350948301165948
Energy: 1.3734833816017185
Energy: 1.5679529900755167
Energy: 1.3714868552109085
Energy: 1.361512488159774
Energy: 1.3587484383648831
Energy: 1.3358274868452347
Energy: 1.4226160918590685
Energy: 1.3678421488784276
Energy: 1.3756031432720095
Energy: 1.359592531131348
Energy: 1.3747074068705711
Energy: 1.3885844107654484
Energy: 1.4728979091439014
Energy: 1.3912100707657566
Energy: 1.4615753249334007
Energy: 1.4789456747628438
Energy: 1.524503718918388
Energy: 1.389278213593487
Energy: 1.4750490046772335
Energy: 1.3829718541381475
Energy: 1.3913364462228675
Energy: 1.3879408485247302
Energy: 1.4245783236785095
Energy: 1.4353403450596387
Energy: 1.41078959701552
Energy: 1.5029955849817287
Energy: 1.3838317931634807
Energy: 1.3884507544049431
Energy: 1.3356118372732533
Energy: 1.4897553197856979
Energy: 1.3801675305104355
Energy: 1.3337545490486893
Energy: 1.4188819500776626
Energy: 1.3390043186093408
Energy: 1.4313826677841555
Energy: 1.359345153274998
Energy: 1.3697266041599172
Energy: 1.410581471653216
Energy: 1.3244634207384633
Energy: 1.379293909248604
Energy: 1.3699879004386428
Energy: 1.3861475736736213
Energy: 1.3665662469135462
Energy: 1.520026077716466
Energy: 1.367818205634575
Energy: 1.5252837070186736
Energy: 1.3716241478170337
Energy: 1.3811475087226717
Energy: 1.422479354105818
Energy: 1.367625186734152
Energy: 1.475350861389882
Energy: 1.3584016119535267
Energy: 1.372607122956117
Energy: 1.3875874490973439
Energy: 1.4735389863698685
Energy: 1.3950006803925996
Energy: 1.462676904638953
Energy: 1.4188121705197883
Energy: 1.4781993244050318
Energy: 1.3879491319096389
Energy: 1.3827498605671629
Energy: 1.3856267052886762
Energy: 1.39040947269222
Energy: 1.3514053615679018
Energy: 1.5076143915333189
Energy: 1.4365980728701842
Energy: 1.4469914829936106
Energy: 1.3079962748135794
Energy: 1.384452632054544
Energy: 1.3845653071280482
Energy: 1.3824629761890308
Energy: 1.4697481738598976
Energy: 1.3794062082210128
Energy: 1.3457080596511646
Energy: 1.3841980936164255
Energy: 1.363030101464843
Energy: 1.4132566576151366
Energy: 1.372864171361462
Energy: 1.356672117619649
Energy: 1.3973018950068583
Energy: 1.3247487213189877
Energy: 1.3768498518040888
Energy: 1.3674562507953008
Energy: 1.3795332708392987
Energy: 1.3689761887902883
Energy: 1.5227064947565707
Energy: 1.368818719090731
Energy: 1.458600097679571
Energy: 1.37563992925038
Energy: 1.4168910001795054
Energy: 1.4295122274366532
Energy: 1.4139425506291101
Energy: 1.4745444110677635
Energy: 1.472870472295939
Energy: 1.3925866228727763
Energy: 1.3799515500151929
Energy: 1.4722940004966727
Energy: 1.3794601197636107
Energy: 1.4239395845000742
Energy: 1.4193905616655844
Energy: 1.3702300745112892
Energy: 1.3581138016758254
Energy: 1.453917561443314
Energy: 1.38574478304383
Energy: 1.399870097535655
Energy: 1.3519267930894339
Energy: 1.5085892148372748
Energy: 1.4359110627406204
Energy: 1.4474388335549735
Energy: 1.4274700636865418
Energy: 1.398113502976103
Energy: 1.3868050885508776
Energy: 1.3934576020545069
Energy: 1.468370580197842
Energy: 1.5305859409720663
Energy: 1.3521120492261947
Energy: 1.3889062698655428
Energy: 1.3764468730351918
Energy: 1.375779782635145
Energy: 1.3713872697333798
Energy: 1.4113552373925928
Energy: 1.3980012925454817
Energy: 1.3230703037575402
Energy: 1.4261008034446303
Energy: 1.3686186465897108
Energy: 1.4060189116972943
Energy: 1.3675967233072992
Energy: 1.4973425987593283
Energy: 1.3689600914889324
Energy: 1.4888197067337214
Energy: 1.4400928949574823
Energy: 1.4172662717213973
Energy: 1.411097284511275
Energy: 1.4159592331479376
Energy: 1.475397253008589
Energy: 1.4708398454734966
Energy: 1.3915118858022726
Energy: 1.5069645522207007

minimum gb energy = 1.3079962748135794 eV
minimum distance =  2.28005306317188 Angstroms
sigma value = 39


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

Energy: 1.270754273281564
Energy: 1.6153318984954583
Energy: 1.3655233864743719
Energy: 1.516680833710222
Energy: 1.4010404397913268
Energy: 1.4028656734435503
Energy: 1.2479575347044312
Energy: 1.3267684496828727
Energy: 1.400656128480267
Energy: 1.397999431151512
Energy: 1.3530872677482981
Energy: 1.3259020149554426
Energy: 1.320677274687557
Energy: 1.3482150539370084
Energy: 1.3207459342818297
Energy: 1.3231557020436637
Energy: 1.3824081725003396
Energy: 1.3362459361862784
Energy: 1.328751585458366
Energy: 1.31755732706199
Energy: 1.3178805977977566
Energy: 1.3183025715414536
Energy: 1.37204846602562
Energy: 1.3886455021290383
Energy: 1.3478267167266842
Energy: 1.3564359237570165
Energy: 1.414608221433851
Energy: 1.4399321067095252
Energy: 1.3172682610555486
Energy: 1.3269135061040649
Energy: 1.417579146804851
Energy: 1.3677580210830385
Energy: 1.4074600923279121
Energy: 1.3536220715722722
Energy: 1.3160650471441364
Energy: 1.2419410981425554
Energy: 1.3222956427764745
Energy: 1.3514669023007164
Energy: 1.4449199551684322
Energy: 1.4066534202229848
Energy: 1.3169928152746613
Energy: 1.3172711399544332
Energy: 1.3799510187239235
Energy: 1.4134486974507958
Energy: 1.3416335037551408
Energy: 1.3548049853528368
Energy: 1.2517840663249018
Energy: 1.2508281530888725
Energy: 1.3120953084626075
Energy: 1.2405748640152754
Energy: 1.4025909440924067
Energy: 1.3791533104853593
Energy: 1.4470179872994067
Energy: 1.4628520014236766
Energy: 1.4173904296877318
Energy: 1.316510664529791
Energy: 1.240810762905684
Energy: 1.4009895414843878
Energy: 1.659150611862168
Energy: 1.3498898839046567
Energy: 1.3285574921749275
Energy: 1.418983422094522
Energy: 1.3154341753570218
Energy: 1.3742136148211714
Energy: 1.384082291184916
Energy: 1.4181709062958987
Energy: 1.3546377333721416
Energy: 1.3282243500526305
Energy: 1.317556113544668
Energy: 1.3146426758372467
Energy: 1.3326062714876659
Energy: 1.3289961408033322
Energy: 1.3760380202902327
Energy: 1.3217154312153796
Energy: 1.320384345588186
Energy: 1.3487225424327833
Energy: 1.4398779148495855
Energy: 1.351551681770268
Energy: 1.3228360435687523
Energy: 1.3914779484973039
Energy: 1.3725330261548003
Energy: 1.3528897626842364
Energy: 1.3968665961312694
Energy: 1.349470450966256
Energy: 1.244282395188139
Energy: 1.327467804444898
Energy: 1.3358736822087185
Energy: 1.351493480558527
Energy: 1.4206149111801851
Energy: 1.4158507334918469
Energy: 1.3166492316706184
Energy: 1.3768003082066549
Energy: 1.3213922683372827
Energy: 1.3647165040350877
Energy: 1.3424331503111122
Energy: 1.2496851017723558
Energy: 1.2408015679750257
Energy: 1.351235651293283
Energy: 1.2666732406322108
Energy: 1.421548537600234
Energy: 1.3423241131105907
Energy: 1.414024089809035
Energy: 1.25254408882982
Energy: 1.2430605169152777
Energy: 1.3479022949994084
Energy: 1.2399282846609043
Energy: 1.3756987816644806
Energy: 1.3429420862426775
Energy: 1.3662696140052781
Energy: 1.395111466629973
Energy: 1.4029243004955045
Energy: 1.2483274301585094
Energy: 1.3265072046826796
Energy: 1.400272421743328
Energy: 1.3977279096847763
Energy: 1.3531926411780257
Energy: 1.3260317664041705
Energy: 1.3197199442450278
Energy: 1.3492809949774311
Energy: 1.3248256509100362
Energy: 1.3231207347003677
Energy: 1.3851857139330659
Energy: 1.3363293602416044
Energy: 1.328057673086534
Energy: 1.318971212693232
Energy: 1.3179402461047407
Energy: 1.3179286147103968
Energy: 1.3687133609157824
Energy: 1.3883340071970578
Energy: 1.348229343092915
Energy: 1.356184510580794
Energy: 1.4147372380725691
Energy: 1.4395641114395774
Energy: 1.319445624578602
Energy: 1.327072524916877
Energy: 1.3801510540096775
Energy: 1.352402149067635
Energy: 1.4064926540773142
Energy: 1.3965180093361955
Energy: 1.3172269632365994
Energy: 1.2421840763630647
Energy: 1.3226150667735541
Energy: 1.3506559112912244
Energy: 1.4474573487757614
Energy: 1.4055698236426106
Energy: 1.2424634085199502
Energy: 1.4736320212673955
Energy: 1.3788416229251692
Energy: 1.4141315419449614
Energy: 1.3409190207895143
Energy: 1.3605756021283062
Energy: 1.2530069469004335
Energy: 1.2523562593569035
Energy: 1.3118819003989672
Energy: 1.240617979912575
Energy: 1.4045420290499084
Energy: 1.3797248097617594
Energy: 1.3230502528794745
Energy: 1.448827306079107
Energy: 1.4179221452949409
Energy: 1.3150257505883425
Energy: 1.240701145684967
Energy: 1.4002305627126586
Energy: 1.6598256763597459
Energy: 1.349852803072903
Energy: 1.3252168379515843
Energy: 1.4177561681185704
Energy: 1.3165394166625166
Energy: 1.3952532403790507
Energy: 1.3817627233483112
Energy: 1.4189727006696855
Energy: 1.337866718732378
Energy: 1.3285456626889847
Energy: 1.3172454961839486
Energy: 1.3152655958311634
Energy: 1.3315728430903357
Energy: 1.3288099828114308
Energy: 1.3767214200171736
Energy: 1.3215773589189668
Energy: 1.320201254420818
Energy: 1.3524288831911753
Energy: 1.4392025185971198
Energy: 1.352123531731581
Energy: 1.3223442254029718
Energy: 1.3208422358993632
Energy: 1.371187905565031
Energy: 1.3531103754444977
Energy: 1.3540185495032417
Energy: 1.3491199674787817
Energy: 1.2451419608577143
Energy: 1.3263403929460742
Energy: 1.3361802093683968
Energy: 1.3518435472154084
Energy: 1.419541294533849
Energy: 1.4157325229331614
Energy: 1.3164954869670853
Energy: 1.3763839851656532
Energy: 1.3210848571258424
Energy: 1.364641795927571
Energy: 1.3393633196804875
Energy: 1.2477592188195006
Energy: 1.255161960629546
Energy: 1.3510569100545318
Energy: 1.267504854816368
Energy: 1.4216236100017339
Energy: 1.3428282799622693
Energy: 1.3224117100950477
Energy: 1.2525099173350007
Energy: 1.2433103256398117
Energy: 1.348250794345774

minimum gb energy = 1.2399282846609043 eV
minimum distance =  2.35796900483119 Angstroms
sigma value = 21


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

Energy: 1.6214459789568902
Energy: 1.4220326782621273
Energy: 1.364321540870378
Energy: 1.727643276188386
Energy: 1.4338035089831327
Energy: 1.3476287352902
Energy: 1.3151015905298384
Energy: 1.291553653067428
Energy: 1.4366281651659758
Energy: 1.5194230759136809
Energy: 1.3735784607768398
Energy: 1.305903902180418
Energy: 1.448506956408177
Energy: 1.691545798228264
Energy: 1.289800220407588
Energy: 1.36692852426383
Energy: 1.3846423517866218
Energy: 1.3737663964722846
Energy: 1.3066408720002198
Energy: 1.2563432952642584
Energy: 1.4994166727839016
Energy: 1.2718960349005377
Energy: 1.366867718685939
Energy: 1.3620446255389518
Energy: 1.3659973371480738
Energy: 1.2982702183862473
Energy: 1.2901069241642842
Energy: 1.5077241239883907
Energy: 1.2558333302902063
Energy: 1.3063330762805263
Energy: 1.3444849670133598
Energy: 1.30132261465388
Energy: 1.30002478263753
Energy: 1.3168918094886721
Energy: 1.391189391618789
Energy: 1.2326085728558225
Energy: 1.2648216953735496
Energy: 1.2910803397126425
Energy: 1.3152182468834792
Energy: 1.2639536093831314
Energy: 1.2640381556675624
Energy: 1.3615541419363524
Energy: 1.2541821797355135
Energy: 1.3568575592295562
Energy: 1.2905856097344692
Energy: 1.3068169288848537
Energy: 1.3198000525388665
Energy: 1.223328192708956
Energy: 1.3551596919559061
Energy: 1.35906547768073
Energy: 1.3004158488386561
Energy: 1.3853892786232191
Energy: 1.3380403828439753
Energy: 1.3221110434018968
Energy: 1.2760746045329605
Energy: 1.353707055065388
Energy: 1.2896861386574185
Energy: 1.3413891682670496
Energy: 1.339289061050411
Energy: 1.5278797224195928
Energy: 1.3417005465590595
Energy: 1.5064520240412749
Energy: 1.5026559476899881
Energy: 1.2568186439476758
Energy: 1.4178228243012307
Energy: 1.3021789576816425
Energy: 1.501248713325477
Energy: 1.2763144963247852
Energy: 1.3428293170094516
Energy: 1.2534504965151945
Energy: 1.3962696145909976
Energy: 1.3602513464872046
Energy: 1.322503770625151
Energy: 1.345938258024451
Energy: 1.318176732327078
Energy: 1.2282546459558008
Energy: 1.6471781963186738
Energy: 1.291790239164715
Energy: 1.3437922865057277
Energy: 1.5289159524660605
Energy: 1.621846198221628
Energy: 1.2359511945372688
Energy: 1.3029234056966508
Energy: 1.654965733358868
Energy: 1.2278834500471816
Energy: 1.4098635866914435
Energy: 1.370533660083945
Energy: 1.5009973887603494
Energy: 1.2998000315212057
Energy: 1.2896437619727499
Energy: 1.2336629317449028
Energy: 1.2378484625747408
Energy: 1.4135637922640647
Energy: 1.3409610836834736
Energy: 1.4192809568825475
Energy: 1.5035532406299221
Energy: 1.528677627511937
Energy: 1.6935856226253014
Energy: 1.3482562203837616
Energy: 1.3435309121288368
Energy: 1.4458190177181478
Energy: 1.3594628978047472
Energy: 1.398646343117892
Energy: 1.618967435027677
Energy: 1.464419825941526
Energy: 1.2703065347323923
Energy: 1.341510217274259
Energy: 1.388141177451134
Energy: 1.3486396196458619
Energy: 1.3774657822264127
Energy: 1.345394312879982
Energy: 1.5020246540963296
Energy: 1.2700125830719673
Energy: 1.3080870605824078
Energy: 1.3169999950563012
Energy: 1.3426832428744222
Energy: 1.298278692709854
Energy: 1.3015731772178718
Energy: 1.3915700504459667
Energy: 1.2254260575252016
Energy: 1.3070837636366486
Energy: 1.3221299622185172
Energy: 1.4055774412546995
Energy: 1.3736545577905788
Energy: 1.2558677640512412
Energy: 1.5117785434470472
Energy: 1.2216587558331506
Energy: 1.3240534905838242
Energy: 1.3125927065360443
Energy: 1.3745403168992927
Energy: 1.2237952003836183
Energy: 1.2224088628454919
Energy: 1.320804813489673
Energy: 1.2876319876718845
Energy: 1.3014074401643303
Energy: 1.3785840627468902
Energy: 1.3695816024637089
Energy: 1.3067258234004706
Energy: 1.2546389421441397
Energy: 1.320269971162333
Energy: 1.2896172819128209
Energy: 1.3417604331433188
Energy: 1.3608193159127233
Energy: 1.5268285465326092
Energy: 1.4007486216290925
Energy: 1.2705679074663174
Energy: 1.505215836712212
Energy: 1.25556758677034
Energy: 1.4101931169611155
Energy: 1.3025086892076359
Energy: 1.373709111321816
Energy: 1.370800034741098
Energy: 1.2920804966839745
Energy: 1.3087558079496355
Energy: 1.449591376864028
Energy: 1.4195490750564181
Energy: 1.3113498935240662
Energy: 1.3171990651153698
Energy: 1.3030417008414583
Energy: 1.4160049512349624
Energy: 1.4667828481953287
Energy: 1.2901032695881534
Energy: 1.3433537968084215
Energy: 1.437763807471606
Energy: 1.3214657952759266
Energy: 1.2359313589511025
Energy: 1.2275154285612597
Energy: 1.3083957736672316
Energy: 1.2376252041077878
Energy: 1.452593719567156
Energy: 1.3479128854377347
Energy: 1.419964004331579
Energy: 1.302896295945183
Energy: 1.3849702006942588
Energy: 1.466730617003827

minimum gb energy = 1.2216587558331506 eV
minimum distance =  2.30620727620164 Angstroms
sigma value = 113


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

Energy: 1.3971358184085199
Energy: 1.755869177283533
Energy: 1.6759399550446852
Energy: 1.7095559088786514
Energy: 1.6636685254297456
Energy: 1.5549364544838125
Energy: 1.6131763941066566
Energy: 1.4029079437901972
Energy: 1.6861274237818538
Energy: 1.554820523868654
Energy: 1.81116772661076
Energy: 1.7319411481068832
Energy: 1.4893157465696876
Energy: 1.6241584157392348
Energy: 1.636633822060462
Energy: 1.582950626344727
Energy: 1.4965437871671505
Energy: 1.6961574597196691
Energy: 1.6043330111887495
Energy: 1.5875051576526726
Energy: 1.5098899551987381
Energy: 1.5036383563785698
Energy: 1.7802069502885587
Energy: 1.5587384121901153
Energy: 1.5946643009985733
Energy: 1.6279709513076317
Energy: 1.555439903960163
Energy: 1.7040172494820518
Energy: 1.4388433021063889
Energy: 1.720509192171838
Energy: 1.6104165425294952
Energy: 1.5945427249465178
Energy: 1.5425662915165732
Energy: 1.4558373720981963
Energy: 1.6177761425953554
Energy: 1.408921564807463
Energy: 1.5203595336054299
Energy: 1.4240245766859172
Energy: 1.573235563696231
Energy: 1.4176266167845792
Energy: 1.4706392731305538
Energy: 1.6557807841993137
Energy: 1.4538401004090207
Energy: 1.5585904060877003
Energy: 1.4052590117892851
Energy: 1.3704699297202427
Energy: 1.5270050087070306
Energy: 1.4921791998451992
Energy: 1.4436870517699536
Energy: 1.4115659011487456
Energy: 1.4514681980877324
Energy: 1.438843979421933
Energy: 1.6770336914631514
Energy: 1.5964178112102672
Energy: 1.4409803839478517
Energy: 1.5197953862651377
Energy: 1.277368128102477
Energy: 1.4350807029291281
Energy: 1.5327253031501353
Energy: 1.418955881968441
Energy: 1.575398223454022
Energy: 1.6305219684268821
Energy: 1.4522815392017452
Energy: 1.5426473943850094
Energy: 1.322281052616768
Energy: 1.4480121172287936
Energy: 1.4130607215150173
Energy: 1.3941698181761233
Energy: 1.5072133245478592
Energy: 1.5283597910224118
Energy: 1.546996736607792
Energy: 1.4440546017363474
Energy: 1.4276300915059605
Energy: 1.3892061889222158
Energy: 1.3857660039068398
Energy: 1.5223028150986793
Energy: 1.5690668775473295
Energy: 1.3055948104323403
Energy: 1.3516414168723987
Energy: 1.6054045495435314
Energy: 1.5274415476613439
Energy: 1.5345729575773148
Energy: 1.5448110367982808
Energy: 1.449984908072259
Energy: 1.349323493855128
Energy: 1.4227813415140058
Energy: 1.3587711999181786
Energy: 1.5574809395138134
Energy: 1.5435233433602396
Energy: 1.3935499136335128
Energy: 1.4986616983370402
Energy: 1.4288263941119181
Energy: 1.4115686685697761
Energy: 1.373068733448739
Energy: 1.4707322219466452
Energy: 1.3963080996176982
Energy: 1.4569266329599995
Energy: 1.4251894841033905
Energy: 1.336920947792444
Energy: 1.5431933968593519
Energy: 1.4828952101744515
Energy: 1.4355582430698353
Energy: 1.5070006589832932
Energy: 1.5637961813634564
Energy: 1.5698188194080538
Energy: 1.4390256978026845
Energy: 1.5461044753360593
Energy: 1.5391934436406458
Energy: 1.6274489486865107
Energy: 1.588201499635476
Energy: 1.554485997471181
Energy: 1.610678559629702
Energy: 1.4234367605409404
Energy: 1.6654849863508334
Energy: 1.4700071335905391
Energy: 1.5515838838683267
Energy: 1.6021710286593334
Energy: 1.5691629561106868
Energy: 1.5396791331323667
Energy: 1.4789475364956095
Energy: 1.5915312879020076
Energy: 1.5207127704904873
Energy: 1.6041348475476391
Energy: 1.5146736749523755
Energy: 1.594250135687876
Energy: 1.5784950714742332
Energy: 1.6097645138072754
Energy: 1.621940784993933
Energy: 1.673049792655064
Energy: 1.6238956953066581
Energy: 1.7445312364648633
Energy: 1.753621345876708
Energy: 1.7166029750056961
Energy: 1.5527389339695647
Energy: 1.7400649669524753
Energy: 1.6110707896469842
Energy: 1.7372635298275296
Energy: 1.6231378193850476
Energy: 1.5549166718378982
Energy: 1.7169088414297833
Energy: 1.6394222101654643
Energy: 1.58732656424671
Energy: 1.512274107781634
Energy: 1.540185532760783
Energy: 1.4607999898464774
Energy: 1.417685678073401
Energy: 1.604480212393016
Energy: 1.405549287660145
Energy: 1.7760471838139602
Energy: 1.6015502876436396
Energy: 1.5986063172513765
Energy: 1.4565177008387038
Energy: 1.4164866084962575
Energy: 1.6066015706113177
Energy: 1.3916653202226046
Energy: 1.6336681868410283
Energy: 1.6787978114320683
Energy: 1.686804040875511
Energy: 1.664376699125953
Energy: 1.5557014818912644
Energy: 1.5922762159958515
Energy: 1.6283088847279144
Energy: 1.6912089033507292
Energy: 1.6847709643885884
Energy: 1.6601198481550896
Energy: 1.7909389962345545
Energy: 1.657658263472769
Energy: 1.608404794556957
Energy: 1.476660818866513
Energy: 1.5798677315351002
Energy: 1.4951735095056633
Energy: 1.6603061750346297
Energy: 1.504941808721319
Energy: 1.5947493034834839
Energy: 1.5097313019888692
Energy: 1.5131884307341785
Energy: 1.7497000094520208
Energy: 1.556398760844119
Energy: 1.5950724475994105
Energy: 1.6151873566608848
Energy: 1.553360930006115
Energy: 1.704851212478094
Energy: 1.561269962614696
Energy: 1.6952549860027943
Energy: 1.5707398782611453
Energy: 1.6014089853605162
Energy: 1.5806089855782413
Energy: 1.5876537458644318
Energy: 1.6173004832141185
Energy: 1.4081653232041378
Energy: 1.5673773111414084
Energy: 1.454944493502116
Energy: 1.5263306475194625
Energy: 1.4228017820734036
Energy: 1.4731641086033582
Energy: 1.6071974138086582
Energy: 1.4597010262071526
Energy: 1.4774890735030446
Energy: 1.5990578929278985
Energy: 1.626072781541161
Energy: 1.5256459155999886
Energy: 1.5174070745237827
Energy: 1.4501663756674628
Energy: 1.4075007633745553
Energy: 1.4488266668628904
Energy: 1.441867425180829
Energy: 1.659629275594917
Energy: 1.607211232367548
Energy: 1.3997154488340249
Energy: 1.5208732168903005
Energy: 1.2794217221995239
Energy: 1.4397747772366067
Energy: 1.4712327831820065
Energy: 1.4271655680999529
Energy: 1.4746919513984083
Energy: 1.5036642803361846
Energy: 1.4514438618778334
Energy: 1.4799179674752863
Energy: 1.5699308595929455
Energy: 1.4486863502644542
Energy: 1.4281183700827453
Energy: 1.3734188121326998
Energy: 1.5147119725176963
Energy: 1.5369478552563587
Energy: 1.546035856571761
Energy: 1.4452952743002385
Energy: 1.4151990671542154
Energy: 1.387910657765702
Energy: 1.4073860688346054
Energy: 1.5232492782028295
Energy: 1.4099437369770689
Energy: 1.3592348365753941
Energy: 1.350369613235099
Energy: 1.6172108807827437
Energy: 1.4864023686637602
Energy: 1.5736016469315508
Energy: 1.5455287473176331
Energy: 1.445502436795958
Energy: 1.4234048154715733
Energy: 1.4198288885609374
Energy: 1.4001777937386894
Energy: 1.5575416823940655
Energy: 1.5889713005564416
Energy: 1.4237159231661798
Energy: 1.4962737080241306
Energy: 1.4869575495050378
Energy: 1.4109807516940693
Energy: 1.6124817387075263
Energy: 1.3823741947414514
Energy: 1.4389408646836148
Energy: 1.597194865680702
Energy: 1.424208798908287
Energy: 1.339327096437664
Energy: 1.537524894528353
Energy: 1.4850267469862377
Energy: 1.4087690779858542
Energy: 1.3923443553867512
Energy: 1.4245488472378733
Energy: 1.573146417907179
Energy: 1.439851565446303
Energy: 1.5488045544640103
Energy: 1.5822784512652814
Energy: 1.5249803356243643
Energy: 1.371246296173217
Energy: 1.5544168528548048
Energy: 1.61128701403785
Energy: 1.420180858283081
Energy: 1.607730143836993
Energy: 1.4772729862342737
Energy: 1.5524028236446163
Energy: 1.5910830119999768
Energy: 1.4993129725174832
Energy: 1.5375191709988065
Energy: 1.4790983680350611
Energy: 1.5911313761572614
Energy: 1.5223777857833045
Energy: 1.6037190142612883
Energy: 1.5932205292269521
Energy: 1.5877276599098713
Energy: 1.5985304946685694
Energy: 1.6397826052322808
Energy: 1.622032869379241
Energy: 1.6755185715556302
Energy: 1.7425495931965156
Energy: 1.7320970633797503
Energy: 1.7264915649666839
Energy: 1.7266650166901372
Energy: 1.5009267417889165
Energy: 1.711533271085714
Energy: 1.6067912765931682
Energy: 1.7132651480756198
Energy: 1.6214310516359913
Energy: 1.5554350270912527
Energy: 1.653374868975754
Energy: 1.5235557841352037
Energy: 1.6758960085220418
Energy: 1.5063442811519066
Energy: 1.5646093856205052
Energy: 1.4569905488137807
Energy: 1.5378664983045123
Energy: 1.6059851654099466
Energy: 1.6402715485068033
Energy: 1.6816940489238672
Energy: 1.6019466936191211
Energy: 1.7705051823857854
Energy: 1.4644868768996713
Energy: 1.4216247677856955
Energy: 1.6092354576729833
Energy: 1.357131615525164
Energy: 1.6169211917989839
Energy: 1.4849965515388104
Energy: 1.6862356233557136
Energy: 1.6666466598786014
Energy: 1.5592926836039434
Energy: 1.6149144712732522

minimum gb energy = 1.277368128102477 eV
minimum distance =  2.25004809531301 Angstroms
sigma value = 365


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

Energy: 1.4355250880959955
Energy: 1.7487342338671021
Energy: 1.4552419788085078
Energy: 1.454839489917613
Energy: 1.455580299373816
Energy: 1.4541130590327422
Energy: 1.4529615754827718
Energy: 1.4210447073369255
Energy: 1.6652642326939804
Energy: 1.418797681783926
Energy: 1.4270023443433828
Energy: 1.424791247474818
Energy: 1.4204071625057888
Energy: 1.6079524871633393
Energy: 1.4179217598067888
Energy: 1.779524772874181
Energy: 1.4187370247926485
Energy: 1.443660100361062
Energy: 1.4218864150965023
Energy: 1.4188778394295263
Energy: 1.4481559403877755
Energy: 1.4199273963877048
Energy: 1.7806980087845308
Energy: 1.4186764418830071
Energy: 1.4442179128255117
Energy: 1.4425985964618468
Energy: 1.4186149629022524
Energy: 1.4484490137274695
Energy: 1.4305468296521149
Energy: 1.591489891160917
Energy: 1.4043289068355254
Energy: 1.6319950442242852
Energy: 1.4214398262189207
Energy: 1.4045270287261116
Energy: 1.6410872865018717
Energy: 1.4175700264348066
Energy: 1.7760014586916937
Energy: 1.4442472364262113
Energy: 1.4466150330571188
Energy: 1.448525441497116
Energy: 1.4474874090308167
Energy: 1.4529026204090985
Energy: 1.4186819523052485
Energy: 1.6619317552550987
Energy: 1.4167353463596049
Energy: 1.4258590395256858
Energy: 1.4246175526217146
Energy: 1.418675621497469
Energy: 1.6599541074685507
Energy: 1.4177542569084098
Energy: 1.776357866995984
Energy: 1.4172214692827398
Energy: 1.4254797133265271
Energy: 1.424396949854151
Energy: 1.4182536850402272
Energy: 1.6799167314946146
Energy: 1.4195137445890749
Energy: 1.7780567527592495
Energy: 1.3502547644339675
Energy: 1.445617039477615
Energy: 1.446442626299409
Energy: 1.4189659044380154
Energy: 1.4505137431858333
Energy: 1.4295597757934553
Energy: 1.778364493153625
Energy: 1.406380475447881
Energy: 1.6313147723812476
Energy: 1.8517229813603617
Energy: 1.4041254727105268
Energy: 1.6418199802798592
Energy: 1.4225415357476332
Energy: 1.7799372451919935
Energy: 1.4181650260531828
Energy: 1.4444578559434271
Energy: 1.443866536032574
Energy: 1.350413582250738
Energy: 1.4502954722976087
Energy: 1.417601626925429
Energy: 1.7629068347454864
Energy: 1.4173745312777517
Energy: 1.4235428954062337
Energy: 1.424343986298882
Energy: 1.41884054346397
Energy: 1.6814179830595881
Energy: 1.419389886068711
Energy: 1.6594834692494413
Energy: 1.4176211088801516
Energy: 1.42743645737102
Energy: 1.425135837432803
Energy: 1.418568212906425
Energy: 1.5936739953805668
Energy: 1.4369349161145093
Energy: 1.7729579807439393
Energy: 1.450250059536114
Energy: 1.4510915281765357
Energy: 1.4520404027068927
Energy: 1.451679368005063
Energy: 1.4530665615209044
Energy: 1.4312591071330822
Energy: 1.6564609181382484
Energy: 1.4026829606268165
Energy: 1.445278272492852
Energy: 1.4197937485339962
Energy: 1.4159145532805977
Energy: 1.6396716733148617
Energy: 1.4191431936763892
Energy: 1.7801058726776195
Energy: 1.4186045664962175
Energy: 1.4433490214210858
Energy: 1.442504168218018
Energy: 1.4192577494326164
Energy: 1.4493035120816182
Energy: 1.4187259294822487
Energy: 1.7790274307048286
Energy: 1.4185541857507031
Energy: 1.4434114902334725
Energy: 1.3491367008350177
Energy: 1.4192329916125
Energy: 1.4480354385739405
Energy: 1.4318709062177166
Energy: 1.6553814384716357
Energy: 1.4148347476455212
Energy: 1.4263707299510762
Energy: 1.4240790382600266
Energy: 1.4210131805429307
Energy: 1.6377764356560753
Energy: 1.4356260751455854
Energy: 1.7688824670809613
Energy: 1.4534701267358978
Energy: 1.4539893490340494
Energy: 1.4541336897481882
Energy: 1.4546624378771278
Energy: 1.4530094540331515
Energy: 1.4197822863063674
Energy: 1.656236434203442
Energy: 1.417924386477208
Energy: 1.4266935418884956
Energy: 1.4238509509005568
Energy: 1.4195152159764428
Energy: 1.6090789671010561

minimum gb energy = 1.3491367008350177 eV
minimum distance =  2.33492150432933 Angstroms
sigma value = 23