Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456787586208
cohesive_energy=4.178986868850123
mass=55.845
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: 0.0154970161669132
Energy: 0.4086373412963411
Energy: 0.0154970161669132
Energy: 0.4086373412963411
Energy: 0.0154970161669132
Energy: 0.40863734129556134
Energy: 0.0154970161669132
Energy: 0.015982818208796556
Energy: 0.6701313896038061
Energy: 0.015982818208796556
Energy: 0.6701313896042073
Energy: 0.015982818208417814
Energy: 0.6701313896042073
Energy: 0.01598281820919758
Energy: 0.4407821251542349
Energy: 0.9180604767673431
Energy: 0.4407821251542349
Energy: 0.9180604767673431
Energy: 0.440782125154636
Energy: 0.9180604767677218
Energy: 0.440782125154636
Energy: 0.015982818208796556
Energy: 0.6701313896042073
Energy: 0.01598281820919758
Energy: 0.6701313896042073
Energy: 0.015982818208796556
Energy: 0.6701313896042073
Energy: 0.01598281820919758
Energy: 0.015497016167692968
Energy: 0.4086373412967422
Energy: 0.015497016167692968
Energy: 0.40863734129596235
Energy: 0.015497016167692968
Energy: 0.4086373412963411
Energy: 0.015497016167692968
Energy: 0.015982818208796556
Energy: 0.6701313896042073
Energy: 0.01598281820919758
Energy: 0.6701313896038061
Energy: 0.01598281820919758
Energy: 0.6701313896038061
Energy: 0.01598281820919758

minimum gb energy = 0.0154970161669132 eV
minimum distance =  2.49813753860965 Angstroms
sigma value = 5


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

Energy: 1.485317871488293
Energy: 1.920580196372369
Energy: 1.4853178714887723
Energy: 1.9205801963718903
Energy: 1.485317871488293
Energy: 1.9205801963718903
Energy: 1.4853178714887723
Energy: 1.588284882588617
Energy: 1.6817167995215827
Energy: 1.5882848825890963
Energy: 1.6817167995215827
Energy: 1.58828488258718
Energy: 1.6817167995215827
Energy: 1.588284882588617
Energy: 1.4525561861866818
Energy: 1.383039697458081
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Energy: 1.3830396974576018
Energy: 1.4525561861847653
Energy: 1.369338300390624
Energy: 1.5141604276799416
Energy: 1.3693383003911033
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Energy: 1.3693383003915822
Energy: 1.5141604276799416
Energy: 1.3693383003915822
Energy: 1.3930809026737245
Energy: 1.4141480534531368
Energy: 1.3930809026737245
Energy: 1.414148053453616
Energy: 1.3930809026746391
Energy: 1.4141480534526578
Energy: 1.3930809026742035
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Energy: 1.6549953238624937
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Energy: 1.4890591369805608
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Energy: 1.4292338272681597
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Energy: 1.6706169529692567
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Energy: 1.6925842402246656
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Energy: 1.6925842402261027
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Energy: 1.6925842402261027
Energy: 1.693564724058674
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Energy: 1.349075936151546
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Energy: 1.3490759361510674
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Energy: 1.3490759361525042
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Energy: 1.5659565440448462
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Energy: 1.457076155696826
Energy: 1.3838746347261455
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Energy: 1.3930352035739233
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Energy: 1.3930352035744022
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Energy: 1.4055083835586968
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Energy: 1.343107485542326
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Energy: 1.5105490054088984
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Energy: 1.6528326774222686
Energy: 1.6710492243094646
Energy: 1.6528326774241846
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Energy: 1.6528326774217896
Energy: 1.6710492243104225
Energy: 1.3998870907949037
Energy: 1.4958555339682622
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Energy: 1.4958555339677833
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Energy: 1.4656461979621245
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Energy: 1.4656461979611664
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Energy: 1.4656461979602082
Energy: 1.4558854439589795
Energy: 1.3213287433944356
Energy: 1.4558854439604165
Energy: 1.3213287433958727
Energy: 1.4558854439599376
Energy: 1.3213287433939565
Energy: 1.4558854439599376
Energy: 1.5694981093045022
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Energy: 1.56949810929061
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Energy: 1.5694981092939635
Energy: 1.5404578879190123
Energy: 1.569498109290131
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Energy: 1.6766673874980644
Energy: 1.4206164213474228
Energy: 1.6766673874985438
Energy: 1.4206164213479018
Energy: 1.6766673874956695
Energy: 1.4206164213469439
Energy: 1.4439253134038783
Energy: 1.6752883392374285
Energy: 1.4439253134053154
Energy: 1.6752883392374285
Energy: 1.4439253134033991
Energy: 1.6752883392374285
Energy: 1.4439253134048362
Energy: 1.4354063989014727
Energy: 1.4476946287572656
Energy: 1.4354063989005146
Energy: 1.4476946287577448
Energy: 1.4354063989014727
Energy: 1.4476946287572656
Energy: 1.4354063989005146
Energy: 1.403731497603955
Energy: 1.4319045517466786
Energy: 1.4037314976029969
Energy: 1.4319045517452413
Energy: 1.4037314976049131
Energy: 1.4319045517461997
Energy: 1.4037314976034758
Energy: 1.347630217370784
Energy: 1.446114605839942
Energy: 1.347630217370305
Energy: 1.4461146058389838
Energy: 1.347630217370784
Energy: 1.4461146058394627
Energy: 1.347630217370305
Energy: 1.5026506362212508
Energy: 1.4889508839181613
Energy: 1.5026506362212508
Energy: 1.4889508839176822
Energy: 1.5026506362222092
Energy: 1.4889508839176822
Energy: 1.5026506362222092

minimum gb energy = 1.312788687392372 eV
minimum distance =  2.32127055212379 Angstroms
sigma value = 401


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

Energy: 1.5987506965343792
Energy: 1.603251968816535
Energy: 1.5182568657408486
Energy: 1.6032519688181666
Energy: 1.5987506965316605
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Energy: 1.4464148751561416
Energy: 1.3801722842315685
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Energy: 1.5198853795469223
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Energy: 1.5818626414078558
Energy: 1.5198853795480098
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Energy: 1.5253427432899747
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Energy: 1.5253427432916058
Energy: 1.529328833923394
Energy: 1.5253427432905182
Energy: 1.5293288339250253
Energy: 1.5160903489064657
Energy: 1.5443245062917168
Energy: 1.5165783892336
Energy: 1.544160479914088
Energy: 1.5160903489064657
Energy: 1.5443245062906292
Energy: 1.5165783892319686
Energy: 1.5201619810201434
Energy: 1.6035160844307175
Energy: 1.519990041508334
Energy: 1.6030591736688444
Energy: 1.5201619810217746
Energy: 1.6035160844328924
Energy: 1.5199900415110528
Energy: 1.428998567892197
Energy: 1.460237904790153
Energy: 1.4296683104478496
Energy: 1.4602379047912406
Energy: 1.428998567892197
Energy: 1.460237904790153
Energy: 1.4296683104500247
Energy: 1.3595060243323769
Energy: 1.6008906260494988
Energy: 1.3588507546120496
Energy: 1.6008906260494988
Energy: 1.359506024331289
Energy: 1.6008906260500424
Energy: 1.3588507546109623
Energy: 1.4203638188008576
Energy: 1.4203107796411092
Energy: 1.4203638188019452
Energy: 1.4203107796405656
Energy: 1.420363818802489
Energy: 1.4203107796411092
Energy: 1.4203638188008576
Energy: 1.395898135755566
Energy: 1.6064856984812026
Energy: 1.395898135755022
Energy: 1.6064856984839213
Energy: 1.3958981357544784
Energy: 1.6064856984833775
Energy: 1.3958981357544784
Energy: 1.518256865740305
Energy: 1.6032519688176226
Energy: 1.5182568657392173
Energy: 1.6032519688181666
Energy: 1.518256865740305
Energy: 1.6032519688159914
Energy: 1.5182568657397613
Energy: 1.3321048847398194
Energy: 1.6063045315240756
Energy: 1.3321048847403631
Energy: 1.6055389096192731
Energy: 1.3321048847398194
Energy: 1.606304531522444
Energy: 1.3321048847403631

minimum gb energy = 1.3321048847398194 eV
minimum distance =  2.30705765984369 Angstroms
sigma value = 311


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

Energy: 1.5178698158797161
Energy: 1.5427074396915927
Energy: 1.4926539164142385
Energy: 1.6156154678085544
Energy: 1.5178698158790882
Energy: 1.5427074396915927
Energy: 1.4926539164148664
Energy: 1.4901096889341148
Energy: 1.2984116173647535
Energy: 1.4441456218423259
Energy: 1.3654796476941546
Energy: 1.4901096889341148
Energy: 1.2984116173647535
Energy: 1.4441456218423259
Energy: 1.412639017352049
Energy: 1.4874251759471637
Energy: 1.4242346431532802
Energy: 1.4909626431198797
Energy: 1.412639017352049
Energy: 1.4874251759465358
Energy: 1.4242346431532802
Energy: 1.6000308347793062
Energy: 1.5897727250828377
Energy: 1.6446189473356998
Energy: 1.5897727250822098
Energy: 1.6000308347793062
Energy: 1.5897727250815819
Energy: 1.644618947336956
Energy: 1.6417226539649068
Energy: 1.5315300856996645
Energy: 1.6351627006124843
Energy: 1.5315300857002925
Energy: 1.6417226539655345
Energy: 1.5315300856996645
Energy: 1.6351627006118563
Energy: 1.3169114332216676
Energy: 1.4985201076009111
Energy: 1.3169114332210397
Energy: 1.5046447314594167
Energy: 1.3169114332222955
Energy: 1.4985201076002832
Energy: 1.3169114332210397
Energy: 1.3093821615345353
Energy: 1.4746748588665604
Energy: 1.3093821615357912
Energy: 1.450582640185674
Energy: 1.3093821615339076
Energy: 1.474674858867816
Energy: 1.3093821615339076
Energy: 1.5903777219830515
Energy: 1.5737428982780741
Energy: 1.5903777219824233
Energy: 1.5737428982780741
Energy: 1.5903777219817956
Energy: 1.57374289827933
Energy: 1.5903777219817956
Energy: 1.599407667129012
Energy: 1.558169426854083
Energy: 1.5994076671283841
Energy: 1.558169426854083
Energy: 1.5994076671283841
Energy: 1.558169426854083
Energy: 1.5994076671283841
Energy: 1.3754234372561034
Energy: 1.527428315592562
Energy: 1.375036630757796
Energy: 1.534787037701765
Energy: 1.3754234372561034
Energy: 1.527428315592562
Energy: 1.3750366307571682
Energy: 1.3358030158307685
Energy: 1.598211715948782
Energy: 1.3357743498878558
Energy: 1.5915807969974256
Energy: 1.3358030158307685
Energy: 1.598211715948782
Energy: 1.3357743498884838
Energy: 1.6067759531741217
Energy: 1.6198239836221298
Energy: 1.6067759531741217
Energy: 1.619844286774191
Energy: 1.6067759531741217
Energy: 1.6198239836221298
Energy: 1.6067759531741217
Energy: 1.5542339675348784
Energy: 1.539141707551368
Energy: 1.5542339675342502
Energy: 1.5391417075494844
Energy: 1.5542339675342502
Energy: 1.53914170755074
Energy: 1.5542339675348784
Energy: 1.3416581295414847
Energy: 1.383991267911403
Energy: 1.3416581295414847
Energy: 1.383991267911403
Energy: 1.34165812954274
Energy: 1.3839912679107749
Energy: 1.3416581295414847
Energy: 1.369893053279704
Energy: 1.4765235394745309
Energy: 1.4652407409158523
Energy: 1.4905806186005424
Energy: 1.369893053280332
Energy: 1.4765235394751586
Energy: 1.4652407409158523
Energy: 1.5418374397255619
Energy: 1.6128933126984089
Energy: 1.6063119189727444
Energy: 1.6128933126990368
Energy: 1.541837439724934
Energy: 1.6128933126990368
Energy: 1.606311918973372
Energy: 1.3807982208726206
Energy: 1.4573514684073194
Energy: 1.3674833993123192
Energy: 1.4604470579370628
Energy: 1.3807982208732483
Energy: 1.4573514684066915
Energy: 1.3674833993123192
Energy: 1.431336725894464
Energy: 1.3895768070194958
Energy: 1.396703674397354
Energy: 1.3910486861316744
Energy: 1.431336725894464
Energy: 1.3895768070194958
Energy: 1.3967036743967263
Energy: 1.560104483177994
Energy: 1.6013366739750365
Energy: 1.597927454066891
Energy: 1.6062115385760323
Energy: 1.5964152323209522
Energy: 1.6013366739756358
Energy: 1.6348483674565584
Energy: 1.6388179253792134
Energy: 1.6105119318154708
Energy: 1.6303972304336398
Energy: 1.606866457218242
Energy: 1.6388179253785857
Energy: 1.6105119318160988
Energy: 1.6303972304336398
Energy: 1.3191007541564048
Energy: 1.353581762647005
Energy: 1.3191007541564048
Energy: 1.353581762647005
Energy: 1.3191007541564048
Energy: 1.353581762647633
Energy: 1.319100754157632
Energy: 1.3156098653590385
Energy: 1.4001601139170237
Energy: 1.3156098653590385
Energy: 1.593090603626348
Energy: 1.3156098653590385
Energy: 1.4001601139170237
Energy: 1.3156098653590385
Energy: 1.5031020580492196
Energy: 1.5437791590918253
Energy: 1.5115008214728303
Energy: 1.6276933892095526
Energy: 1.5031020580504755
Energy: 1.5437791590918253
Energy: 1.6403677554525389
Energy: 1.5846251632825596
Energy: 1.530618356794503
Energy: 1.4793694677998062
Energy: 1.6218876069209105
Energy: 1.5846251632838155
Energy: 1.5306183567938751
Energy: 1.479369467800434
Energy: 1.379359511993823
Energy: 1.5065896642313572
Energy: 1.3873401673753811
Energy: 1.5118641213740542
Energy: 1.379359511993823
Energy: 1.5065896642326129
Energy: 1.3873401673753811
Energy: 1.5969648549268047
Energy: 1.621780175464375
Energy: 1.6160835384921757
Energy: 1.61363100613817
Energy: 1.5969648549268047
Energy: 1.6217801754650027
Energy: 1.6160835384915477
Energy: 1.5802585690617488
Energy: 1.5592970201255083
Energy: 1.5836619872852156
Energy: 1.5592970201255083
Energy: 1.5802585690617488
Energy: 1.5592970201248804
Energy: 1.6378133639472352
Energy: 1.5302705940947292
Energy: 1.5721157147415223
Energy: 1.5302705940947292
Energy: 1.5720945549669552
Energy: 1.5302705940947292
Energy: 1.5721157147415223
Energy: 1.5302705940947292
Energy: 1.3448929418300422
Energy: 1.330696037033616
Energy: 1.34489294183067
Energy: 1.330696037033616
Energy: 1.3448929418300422
Energy: 1.330696037032988
Energy: 1.3448929418300422
Energy: 1.5603502601464712
Energy: 1.5866403495917976
Energy: 1.560350260147099
Energy: 1.5821636051757721
Energy: 1.560350260148355
Energy: 1.5866403495924255
Energy: 1.5603502601477273
Energy: 1.5792502842032523
Energy: 1.5382349566391942
Energy: 1.5792502842032523
Energy: 1.5382349566398221
Energy: 1.5792502842032523
Energy: 1.5382349566391942
Energy: 1.6137041303158075
Energy: 1.4182352818113024
Energy: 1.5157015833757101
Energy: 1.4145303972451815
Energy: 1.5813369129815773
Energy: 1.4182352818113024
Energy: 1.5157015833750827
Energy: 1.4145303972458092
Energy: 1.3367194804311
Energy: 1.4039038438387297
Energy: 1.3367148430392848
Energy: 1.4040263035642497
Energy: 1.3367194804311
Energy: 1.4039038438393574
Energy: 1.3367148430392848
Energy: 1.5868732056645154
Energy: 1.6284078266219308
Energy: 1.5868732056651433
Energy: 1.6283689871908646
Energy: 1.5868732056651433
Energy: 1.6284078266219308
Energy: 1.5868732056651433
Energy: 1.5547855987118637
Energy: 1.6637348436087187
Energy: 1.5657914095196475
Energy: 1.6749227988766855
Energy: 1.554785598711236
Energy: 1.6637348436093466
Energy: 1.5657914095202754
Energy: 1.316975439436101
Energy: 1.3749759173326974
Energy: 1.3169754394354733
Energy: 1.3749759173333251
Energy: 1.3169754394354733
Energy: 1.374975917333953
Energy: 1.316975439436101

minimum gb energy = 1.2984116173647535 eV
minimum distance =  2.28066137907944 Angstroms
sigma value = 39


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

Energy: 1.4438190240045958
Energy: 1.4376980564856152
Energy: 1.4438190240053368
Energy: 1.4376980564848743
Energy: 1.4438190240053368
Energy: 1.4376980564856152
Energy: 1.443819024006078
Energy: 1.4381284894289368
Energy: 1.3275012762393383
Energy: 1.4381284894267135
Energy: 1.3275012762393383
Energy: 1.438128489428196
Energy: 1.3275012762385974
Energy: 1.4381284894289368
Energy: 1.6865515250013021
Energy: 1.2760819242495303
Energy: 1.6865515250020435
Energy: 1.2760819242487893
Energy: 1.6865515250013021
Energy: 1.2760819242480481
Energy: 1.6865515250013021
Energy: 1.6028996929696933
Energy: 1.2658704394255733
Energy: 1.602899692968952
Energy: 1.2658704394255733
Energy: 1.602899692968952
Energy: 1.2658704394255733
Energy: 1.602899692968952
Energy: 1.451891888253524
Energy: 1.240072089642038
Energy: 1.451891888253524
Energy: 1.240072089642038
Energy: 1.451891888254265
Energy: 1.2400720896427793
Energy: 1.451891888254265
Energy: 1.4156144974523464
Energy: 1.3469842567408898
Energy: 1.4156144974523464
Energy: 1.3469842567416308
Energy: 1.4156144974530875
Energy: 1.3469842567408898
Energy: 1.4156144974530875
Energy: 1.602938716803696
Energy: 1.327154709380018
Energy: 1.6296492326663634
Energy: 1.327154709380018
Energy: 1.6050283060658852
Energy: 1.3271547093807592
Energy: 1.5310148537612034
Energy: 1.6002150999694473
Energy: 1.3584797576036862
Energy: 1.6002150999687064
Energy: 1.3584797576036862
Energy: 1.6002150999694473
Energy: 1.358479757602945
Energy: 1.6002150999679652
Energy: 1.6168067562985693
Energy: 1.3550696770051123
Energy: 1.6168067562985693
Energy: 1.3550696770043713
Energy: 1.6168067562985693
Energy: 1.3550696770051123
Energy: 1.6168067562985693
Energy: 1.4411030414732766
Energy: 1.4701001480233151
Energy: 1.4411030414740176
Energy: 1.470100148022574
Energy: 1.4411030414740176
Energy: 1.470100148021092
Energy: 1.4411030414740176
Energy: 1.5510772556071872
Energy: 1.4526586895221063
Energy: 1.5372642425496847
Energy: 1.4526586895235885
Energy: 1.5372642425511671
Energy: 1.4526586895235885
Energy: 1.537264242550426
Energy: 1.4717126808187833
Energy: 1.2827576851862994
Energy: 1.471712680821747
Energy: 1.2827576851862994
Energy: 1.4717126808210061
Energy: 1.2827576851855584
Energy: 1.4717126808261933
Energy: 1.6529226016469558
Energy: 1.4077722270527138
Energy: 1.6529226016462149
Energy: 1.4077722270534545
Energy: 1.6529226016476966
Energy: 1.4077722270527138
Energy: 1.6529226016469558
Energy: 1.5228043264566005
Energy: 1.2697758325766
Energy: 1.5228043264566005
Energy: 1.2697758325766
Energy: 1.5228043264558595
Energy: 1.2697758325773412
Energy: 1.5228043264558595
Energy: 1.4312456358254717
Energy: 1.39998742477827
Energy: 1.4312456358254717
Energy: 1.39998742477827
Energy: 1.4312456358254717
Energy: 1.399987424777529
Energy: 1.482850282487775
Energy: 1.4592558249437961
Energy: 1.3177971017223375
Energy: 1.4592558249452783
Energy: 1.3177971017230787
Energy: 1.4592558249437961
Energy: 1.3177971017230787
Energy: 1.459255824943055
Energy: 1.6401594834370963
Energy: 1.4674991821278123
Energy: 1.640159483436355
Energy: 1.4674991821278123
Energy: 1.6401594834370963
Energy: 1.4674991821278123
Energy: 1.6401594834370963
Energy: 1.610044470912077
Energy: 1.352907621718082
Energy: 1.610044470912077
Energy: 1.352907621717341
Energy: 1.6100444709128183
Energy: 1.352907621717341
Energy: 1.6100444709128183
Energy: 1.5111568877983759
Energy: 1.3603612955745887
Energy: 1.5111568877998582
Energy: 1.3603612955745887
Energy: 1.5111568877983759
Energy: 1.3603612955738478
Energy: 1.511156887799117
Energy: 1.441149919782569
Energy: 1.4709931142489383
Energy: 1.441149919782569
Energy: 1.4709931142474564
Energy: 1.441149919781828
Energy: 1.4709931142481976
Energy: 1.441149919782569
Energy: 1.5329473976194044
Energy: 1.2312278259007454
Energy: 1.5329473976186634
Energy: 1.2312278259014866
Energy: 1.5329473976186634
Energy: 1.2312278259014866
Energy: 1.5329473976179222
Energy: 1.5879217514906236
Energy: 1.272871572975033
Energy: 1.5879217514898827
Energy: 1.2728715729757742
Energy: 1.5879217514913648
Energy: 1.272871572976515
Energy: 1.5879217514906236
Energy: 1.5492896382442045
Energy: 1.2981281902353723
Energy: 1.5492896382442045
Energy: 1.2981281902353723
Energy: 1.5492896382434636
Energy: 1.2981281902353723
Energy: 1.5492896382442045
Energy: 1.4089825027729688
Energy: 1.3203966975510726
Energy: 1.4089825027737097
Energy: 1.3203966975503316
Energy: 1.4089825027737097
Energy: 1.3203966975495907
Energy: 1.4089825027737097
Energy: 1.4753257167593539
Energy: 1.299185449807741
Energy: 1.4753257167608358
Energy: 1.2991854498084823
Energy: 1.475325716760095
Energy: 1.299185449807741
Energy: 1.475325716760095
Energy: 1.575058346842057
Energy: 1.327783973984701
Energy: 1.575058346842057
Energy: 1.327783973984701
Energy: 1.5750583468427977
Energy: 1.327783973984701
Energy: 1.575058346842057
Energy: 1.55023286126928
Energy: 1.3459973918844361
Energy: 1.5502328612699872
Energy: 1.345997391885918
Energy: 1.5502328612685388
Energy: 1.3459973918851773
Energy: 1.55023286126928
Energy: 1.4850772379130692
Energy: 1.4027827786422848
Energy: 1.4850772379138102
Energy: 1.4027827786422848
Energy: 1.4850772379138102
Energy: 1.4027827786422848
Energy: 1.4850772379130692
Energy: 1.4438190240045958
Energy: 1.4376980564848743
Energy: 1.4438190240053368
Energy: 1.4376980564856152
Energy: 1.4438190240045958
Energy: 1.4376980564848743
Energy: 1.443819024006078
Energy: 1.4381284894289368
Energy: 1.3275012762393383
Energy: 1.4381284894274549
Energy: 1.3275012762385974
Energy: 1.438128489428196
Energy: 1.3275012762378564
Energy: 1.438128489428196

minimum gb energy = 1.2312278259007454 eV
minimum distance =  2.28592537949829 Angstroms
sigma value = 21


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

Energy: 1.2831129688618976
Energy: 1.6640472007756701
Energy: 1.2831129688618976
Energy: 1.6640472007756701
Energy: 1.2831129688618976
Energy: 1.6640472007756701
Energy: 1.2831129688618976
Energy: 1.3213412720225148
Energy: 1.2678944219843833
Energy: 1.3213412720225148
Energy: 1.2678944219834838
Energy: 1.3213412720225148
Energy: 1.2678944219834838
Energy: 1.3213412720225148
Energy: 1.3610438317659843
Energy: 1.622616151139912
Energy: 1.3610438317659843
Energy: 1.622616151139912
Energy: 1.3610438317659843
Energy: 1.622616151139912
Energy: 1.3610438317659843
Energy: 1.2698810264771614
Energy: 1.2965207754667243
Energy: 1.2698810264789604
Energy: 1.2965207754667243
Energy: 1.2698810264780607
Energy: 1.2965207754667243
Energy: 1.2698810264798597
Energy: 1.179063321077193
Energy: 1.3207046854481128
Energy: 1.179063321077193
Energy: 1.3207046854490125
Energy: 1.179063321077193
Energy: 1.3207046854490125
Energy: 1.179063321077193
Energy: 1.2055413617109498
Energy: 1.3287439855524568
Energy: 1.2055413617109498
Energy: 1.3287439855524568
Energy: 1.2055413617100503
Energy: 1.3287439855524568
Energy: 1.2055413617109498
Energy: 1.126824022563925
Energy: 1.5895667387772943
Energy: 1.1268240225630257
Energy: 1.5895667387790935
Energy: 1.126824022563925
Energy: 1.589566738778194
Energy: 1.126824022563925
Energy: 1.4121979502547515
Energy: 1.258841564829011
Energy: 1.4121979502547515
Energy: 1.258841564829011
Energy: 1.4121979502547515
Energy: 1.258841564829011
Energy: 1.4121979502547515
Energy: 1.3242314514321414
Energy: 1.2283722459796504
Energy: 1.3242314514321414
Energy: 1.2283722459796504
Energy: 1.3242314514312417
Energy: 1.228372245978751
Energy: 1.3242314514312417
Energy: 1.227084124447333
Energy: 1.5596931950732178
Energy: 1.2270841244464334
Energy: 1.5596931950732178
Energy: 1.227084124447333
Energy: 1.5596931950732178
Energy: 1.227084124447333
Energy: 1.1703967997698852
Energy: 1.3946311861001826
Energy: 1.1703967997698852
Energy: 1.394631186101082
Energy: 1.1703967997698852
Energy: 1.3946311861001826
Energy: 1.1703967997707847
Energy: 1.2068952731165747
Energy: 1.3274292535420198
Energy: 1.2068952731165747
Energy: 1.3274292535420198
Energy: 1.2068952731165747
Energy: 1.3274292535420198
Energy: 1.2068952731174745
Energy: 1.2880100630071496
Energy: 1.2210650768130977
Energy: 1.2880100630071496
Energy: 1.2210650768121984
Energy: 1.288010063008049
Energy: 1.2210650768121984
Energy: 1.288010063008049
Energy: 1.3450297726082934
Energy: 1.6330262322059392
Energy: 1.3450297726073936
Energy: 1.6330262322068392
Energy: 1.3450297726073936
Energy: 1.6330262322059392
Energy: 1.3450297726073936
Energy: 1.2791982116950622
Energy: 1.3303965125943895
Energy: 1.2791982116959615
Energy: 1.3303965125943895
Energy: 1.2791982116950622
Energy: 1.3303965125943895
Energy: 1.2791982116959615
Energy: 1.3569053952325731
Energy: 1.570781550678485
Energy: 1.3569053952325731
Energy: 1.5707815506793845
Energy: 1.3569053952325731
Energy: 1.5707815506775855
Energy: 1.3569053952316732
Energy: 1.4114315689715295
Energy: 1.2499990677142525
Energy: 1.4114315689715295
Energy: 1.2499990677142525
Energy: 1.4114315689715295
Energy: 1.249999067715152
Energy: 1.4114315689715295
Energy: 1.3917710493977458
Energy: 1.6732284972239706
Energy: 1.3917710493968463
Energy: 1.6732284972230713
Energy: 1.3917710493968463
Energy: 1.6732284972230713
Energy: 1.3917710493977458
Energy: 1.3643447252928047
Energy: 1.3007107918193443
Energy: 1.3643447252928047
Energy: 1.3007107918193443
Energy: 1.3643447252928047
Energy: 1.3007107918193443
Energy: 1.3643447252928047
Energy: 1.1971760725076952
Energy: 1.3004428327893152
Energy: 1.1971760725076952
Energy: 1.3004428327893152
Energy: 1.1971760725076952
Energy: 1.3004428327893152
Energy: 1.197176072508595
Energy: 1.2998282065361129
Energy: 1.3833769089861172
Energy: 1.2998282065361129
Energy: 1.3833769089861172
Energy: 1.2998282065361129
Energy: 1.3833769089861172
Energy: 1.2998282065361129
Energy: 1.1268312129062035
Energy: 1.6490743433564832
Energy: 1.1268312129062035
Energy: 1.6490743433564832
Energy: 1.1268312129062035
Energy: 1.6490743433555837
Energy: 1.126831212905304
Energy: 1.3138070370658457
Energy: 1.276867734525233
Energy: 1.3138070370658457
Energy: 1.276867734525233
Energy: 1.3138070370649464
Energy: 1.2768677345261326
Energy: 1.3138070370667454
Energy: 1.3410324809295566
Energy: 1.3011550243708787
Energy: 1.3410324809286573
Energy: 1.3011550243708787
Energy: 1.3410324809295566
Energy: 1.3011550243708787
Energy: 1.3410324809286573
Energy: 1.2567829031001796
Energy: 1.3301484202095404
Energy: 1.2567829031019786
Energy: 1.3301484202095404
Energy: 1.2567829031001796
Energy: 1.3301484202095404
Energy: 1.256782903101079

minimum gb energy = 1.1268240225630257 eV
minimum distance =  2.3244683952623 Angstroms
sigma value = 113


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

Energy: 1.1137055044572424
Energy: 1.4959449687094206
Energy: 1.1137055044577442
Energy: 1.4959449687119308
Energy: 1.1137055044582465
Energy: 1.4959449687094206
Energy: 1.1137055044572424
Energy: 1.172627503383947
Energy: 1.1566993683893039
Energy: 1.172627503383947
Energy: 1.1566993683898061
Energy: 1.172627503383947
Energy: 1.1566993683913123
Energy: 1.172627503383445
Energy: 1.2526540602599183
Energy: 1.0920035306965223
Energy: 1.2526540602599183
Energy: 1.092003530695518
Energy: 1.2526540602599183
Energy: 1.092003530694514
Energy: 1.2526540602604204
Energy: 1.1178627097958387
Energy: 1.1281694907570323
Energy: 1.1178627097943326
Energy: 1.12816949075402
Energy: 1.1178627097948346
Energy: 1.128169490754522
Energy: 1.1178627097948346
Energy: 1.0697257661847224
Energy: 1.300974336356205
Energy: 1.0697257661832162
Energy: 1.300974336355703
Energy: 1.0697257661857267
Energy: 1.3009743363552007
Energy: 1.0697257661842203
Energy: 1.1067741010650793
Energy: 1.2620652333837294
Energy: 1.1067741010670877
Energy: 1.2620652333842315
Energy: 1.1067741010650793
Energy: 1.2620652333862397
Energy: 1.1067741010665857
Energy: 1.104253729935279
Energy: 1.2221242572259174
Energy: 1.104253729935781
Energy: 1.2221242572244113
Energy: 1.1042537299322668
Energy: 1.222124257221901
Energy: 1.104253729934275
Energy: 1.1289147422444152
Energy: 1.2277475663316222
Energy: 1.1289147422469257
Energy: 1.2277475663306183
Energy: 1.1289147422469257
Energy: 1.2277475663316222
Energy: 1.128914742242407
Energy: 1.1512473711229858
Energy: 1.244629500326592
Energy: 1.15124737112399
Energy: 1.244629500326592
Energy: 1.1512473711229858
Energy: 1.244629500326592
Energy: 1.151247371124994
Energy: 1.1254491162836837
Energy: 1.1104542470776877
Energy: 1.1254491162836837
Energy: 1.1104542470756795
Energy: 1.1254491162836837
Energy: 1.1104542470766836
Energy: 1.125449116284186
Energy: 1.1005588396940338
Energy: 1.1385688525027862
Energy: 1.1005588396935317
Energy: 1.138568852500276
Energy: 1.1005588396950379
Energy: 1.1385688525042923
Energy: 1.1005588396940338
Energy: 1.0460097392343177
Energy: 1.162005863150772
Energy: 1.0460097392333136
Energy: 1.162005863149768
Energy: 1.0460097392318075
Energy: 1.162005863150772
Energy: 1.0460097392323096
Energy: 1.0153575049933752
Energy: 1.2839523987408674
Energy: 1.0153575049938774
Energy: 1.2839523987408674
Energy: 1.0153575049918688
Energy: 1.2839523987403652
Energy: 1.0153575049928731
Energy: 1.2287069083790214
Energy: 1.1099880060657281
Energy: 1.2287069083765112
Energy: 1.1099880060657281
Energy: 1.2287069083780173
Energy: 1.1099880060657281
Energy: 1.2287069083765112
Energy: 1.2168792100228627
Energy: 1.0678953901384944
Energy: 1.2168792100213568
Energy: 1.067895390142465
Energy: 1.216879210023867
Energy: 1.067895390142967
Energy: 1.2168792100228627
Energy: 1.0437389826324608
Energy: 1.2663031406768754
Energy: 1.0437389826314567
Energy: 1.266303140679888
Energy: 1.043738982631959
Energy: 1.2663031406758716
Energy: 1.0437389826314567
Energy: 0.9996857666250967
Energy: 1.1305767760303265
Energy: 0.9996857666250967
Energy: 1.1305767760293224
Energy: 0.9996857666225866
Energy: 1.1305767760293224
Energy: 0.9996857666255987
Energy: 1.137026865880963
Energy: 1.1614177393352618
Energy: 1.137026865881465
Energy: 1.1614177393357639
Energy: 1.137026865882469
Energy: 1.1614177393362661
Energy: 1.1370268658829712
Energy: 1.070569073064946
Energy: 1.0595746339245782
Energy: 1.07056907306595
Energy: 1.0595746339245782
Energy: 1.070569073064946
Energy: 1.0595746339260843
Energy: 1.070569073065448
Energy: 1.137785129677814
Energy: 1.2460840310487793
Energy: 1.1377851296788182
Energy: 1.2460840310482773
Energy: 1.1377851296783161
Energy: 1.2460840310487793
Energy: 1.1377851296793202
Energy: 1.093466420459846
Energy: 1.114863964829455
Energy: 1.0934664204573359
Energy: 1.114863964829957
Energy: 1.0934664204558298
Energy: 1.114863964829957
Energy: 1.0934664204553275
Energy: 1.1232529358636887
Energy: 1.1321258653068198
Energy: 1.1232529358651948
Energy: 1.1321258653093302
Energy: 1.1232529358651948
Energy: 1.1321258653088282
Energy: 1.123252935867705
Energy: 1.0799211459644653
Energy: 1.1512279546433613
Energy: 1.0799211459634612
Energy: 1.1512279546448674
Energy: 1.0799211459649674
Energy: 1.1512279546433613
Energy: 1.0799211459634612
Energy: 1.0455573284872426
Energy: 1.312979008147463
Energy: 1.045557328485234
Energy: 1.3129790081484671
Energy: 1.04555732848423
Energy: 1.3129790081479649
Energy: 1.045557328485234
Energy: 1.1806498228879345
Energy: 1.2047043212106165
Energy: 1.1806498228884363
Energy: 1.2047043212091102
Energy: 1.1806498228844202
Energy: 1.2047043212106165
Energy: 1.1806498228879345
Energy: 1.2424995833532455
Energy: 1.1429905531078206
Energy: 1.2424995833537473
Energy: 1.1429905531118372
Energy: 1.2424995833537473
Energy: 1.1429905531138453
Energy: 1.2424995833547514
Energy: 1.2091383490372494
Energy: 1.2183097578785673
Energy: 1.2091383490382532
Energy: 1.218309757876559
Energy: 1.2091383490382532
Energy: 1.218309757877563
Energy: 1.2091383490382532
Energy: 1.0894064136029131
Energy: 1.4863723369188857
Energy: 1.0894064136014068
Energy: 1.486372336919388
Energy: 1.089406413600905
Energy: 1.4863723369173798
Energy: 1.0894064136029131
Energy: 1.201373697256048
Energy: 1.1864994441752474
Energy: 1.2013736972580562
Energy: 1.1864994441762513
Energy: 1.20137369725655
Energy: 1.1864994441757493
Energy: 1.20137369725655
Energy: 1.2616625391966858
Energy: 1.144712236477724
Energy: 1.26166253919769
Energy: 1.144712236477724
Energy: 1.2616625391966858
Energy: 1.1447122364782263
Energy: 1.261662539198192
Energy: 1.1924074044480049
Energy: 1.2338920317859137
Energy: 1.192407404447503
Energy: 1.2338920317859137
Energy: 1.192407404447503
Energy: 1.2338920317834037
Energy: 1.1924074044470008
Energy: 1.051668601430192
Energy: 1.2806265523225997
Energy: 1.0516686014276817
Energy: 1.2806265523185834
Energy: 1.051668601430192
Energy: 1.280626552323102
Energy: 1.0516686014281837
Energy: 1.1865316678348614
Energy: 1.1395419625648835
Energy: 1.1865316678328535
Energy: 1.139541962563879
Energy: 1.1865316678348614
Energy: 1.1395419625623728
Energy: 1.1865316678333555
Energy: 1.0964410533909692
Energy: 1.2683655547761907
Energy: 1.0964410533909692
Energy: 1.2683655547797053
Energy: 1.0964410533914712
Energy: 1.2683655547751869
Energy: 1.0964410533879567
Energy: 1.1107446717178373
Energy: 1.3390670665282332
Energy: 1.1107446717178373
Energy: 1.339067066526225
Energy: 1.1107446717183393
Energy: 1.339067066526727
Energy: 1.1107446717178373
Energy: 1.1439705716243707
Energy: 1.2368843888127077
Energy: 1.1439705716253752
Energy: 1.2368843888142136
Energy: 1.1439705716253752
Energy: 1.2368843888132095
Energy: 1.1439705716253752
Energy: 1.24339550956055
Energy: 1.1126086663720098
Energy: 1.2433955095600477
Energy: 1.1126086663715078
Energy: 1.2433955095615539
Energy: 1.1126086663720098
Energy: 1.24339550956055
Energy: 1.1417260170035313
Energy: 1.1185909276539048
Energy: 1.1417260170055394
Energy: 1.1185909276539048
Energy: 1.1417260170040333
Energy: 1.1185909276539048
Energy: 1.1417260170050374
Energy: 1.0825006024493617
Energy: 1.1944730142963726
Energy: 1.0825006024468515
Energy: 1.1944730142958706
Energy: 1.0825006024493617
Energy: 1.194473014296875
Energy: 1.0825006024478556
Energy: 1.0154835138103566
Energy: 1.361347607536946
Energy: 1.0154835138098546
Energy: 1.361347607536444
Energy: 1.0154835138108589
Energy: 1.361347607536946
Energy: 1.0154835138088505
Energy: 1.179012939024054
Energy: 1.095349197498222
Energy: 1.1790129390270665
Energy: 1.0953491974972176
Energy: 1.179012939024556
Energy: 1.0953491974977199
Energy: 1.1790129390260622
Energy: 1.2199514289237259
Energy: 1.0655614161963431
Energy: 1.21995142892473
Energy: 1.0655614161963431
Energy: 1.2199514289227218
Energy: 1.065561416195841
Energy: 1.219951428924228
Energy: 1.079216900656302
Energy: 1.26614458010414
Energy: 1.07921690065831
Energy: 1.26614458010414
Energy: 1.0792169006558
Energy: 1.26614458010414
Energy: 1.079216900657808
Energy: 1.0035938852777269
Energy: 1.1235860426990212
Energy: 1.0035938852777269
Energy: 1.123586042698017
Energy: 1.0035938852777269
Energy: 1.1235860426990212
Energy: 1.0035938852782291
Energy: 1.0964180941313735
Energy: 1.154028838401147
Energy: 1.0964180941328796
Energy: 1.1540288384026534
Energy: 1.0964180941318755
Energy: 1.1540288384026534
Energy: 1.0964180941333816

minimum gb energy = 0.9996857666225866 eV
minimum distance =  2.30105432666609 Angstroms
sigma value = 365


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

Energy: 0.3490380647857233
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647857233
Energy: 0.44940077972346937
Energy: 0.3490380647868553
Energy: 2.6978159020605226
Energy: 1.327752299442574
Energy: 2.4119447842621486
Energy: 1.327752299442574
Energy: 2.4119447842621486
Energy: 1.327752299442574
Energy: 2.147156432429321
Energy: 0.3490380647868553
Energy: 0.44940077972120546
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 2.6163882735170603
Energy: 1.327752299442574
Energy: 2.411944784261017
Energy: 1.327752299442574
Energy: 2.1471564323840697
Energy: 1.3277522994437059
Energy: 2.147156432501739
Energy: 0.3490380647868553
Energy: 0.44940077972346937
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.44940077972346937
Energy: 0.3490380647868553
Energy: 2.4119447842644126
Energy: 1.327752299442574
Energy: 2.147156432296937
Energy: 1.3277522994437059
Energy: 2.1471564323784103
Energy: 1.327752299442574
Energy: 2.147156432308256
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 2.4119447842655446
Energy: 1.327752299442574
Energy: 2.4119447842632806
Energy: 1.327752299442574
Energy: 2.147156432472309
Energy: 1.3277522994437059
Energy: 2.147156432520982
Energy: 0.3490380647868553
Energy: 0.44940077972120546
Energy: 0.3490380647857233
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647857233
Energy: 2.4119447842621486
Energy: 1.3277522994437059
Energy: 2.147156432663528
Energy: 1.3277522994437059
Energy: 2.1471564328015718
Energy: 1.3277522994437059
Energy: 2.1471564325911103
Energy: 0.34903806478798716
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.44940077972120546
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 2.147156432433849
Energy: 1.327752299442574
Energy: 2.1471564324213976
Energy: 1.327752299442574
Energy: 2.147156432429321
Energy: 1.327752299442574
Energy: 2.147156432471177
Energy: 0.3490380647857233
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.44940077972346937
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 2.1471564324881562
Energy: 1.327752299442574
Energy: 2.147156432534539
Energy: 1.327752299442574
Energy: 2.147156432506267
Energy: 1.327752299442574
Energy: 2.1471564327450015
Energy: 0.3490380647868553
Energy: 0.44940077972120546
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.44940077972120546
Energy: 0.3490380647868553
Energy: 2.147156432638651
Energy: 1.327752299442574
Energy: 2.1471564327370776
Energy: 1.327752299442574
Energy: 2.1471564326012973
Energy: 1.3277522994437059
Energy: 2.1471564326997497
Energy: 0.3490380647868553
Energy: 0.44940077972346937
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.44940077972346937
Energy: 0.3490380647868553
Energy: 2.1471564325300116
Energy: 1.327752299442574
Energy: 2.147156432403313
Energy: 1.327752299442574
Energy: 2.1471564323241035
Energy: 1.327752299442574
Energy: 2.147156432470045
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 0.4494007797223375
Energy: 0.3490380647868553
Energy: 2.147156432639783
Energy: 1.327752299442574
Energy: 2.1471564325854504
Energy: 1.3277522994414421
Energy: 2.1471564326103527
Energy: 1.327752299442574
Energy: 2.147156432565101

minimum gb energy = 0.3490380647857233 eV
minimum distance =  2.32864117778327 Angstroms
sigma value = 23