Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.146558970212937
cohesive_energy=6.810535584408941
mass=95.95
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: 0.021300817252511515
Energy: 0.3697434318826625
Energy: 0.021300817252511515
Energy: 0.36974343188033426
Energy: 0.021300817252511515
Energy: 0.3697434318816861
Energy: 0.021300817252511515
Energy: 0.02313063174870445
Energy: 0.7354334110130107
Energy: 0.02313063174870445
Energy: 0.7354334110130107
Energy: 0.02313063174904243
Energy: 0.7354334110123348
Energy: 0.02313063174870445
Energy: 1.8999664729140793
Energy: 0.69771076997033
Energy: 2.314131643960564
Energy: 0.6977107699696915
Energy: 0.02161891168487561
Energy: 0.697710769969992
Energy: 0.02161891168588954
Energy: 0.023130631749380407
Energy: 0.7354334110133487
Energy: 0.02313063174870445
Energy: 0.7354334110136491
Energy: 0.02313063174904243
Energy: 0.7354334110123348
Energy: 0.02313063174904243
Energy: 0.021300817252511515
Energy: 0.36974343188198655
Energy: 0.021300817252511515
Energy: 0.36974343188232456
Energy: 0.021300817252511515
Energy: 0.36974343188300046
Energy: 0.021300817252511515
Energy: 0.02313063174904243
Energy: 0.7354334110136491
Energy: 0.02313063174904243
Energy: 0.7354334110133487
Energy: 0.02313063174904243
Energy: 0.7354334110126728
Energy: 0.02313063174904243

minimum gb energy = 0.021300817252511515 eV
minimum distance =  2.71888025555914 Angstroms
sigma value = 5


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

Energy: 2.1332805014512197
Energy: 2.1188382883951493
Energy: 2.1332805014552574
Energy: 2.1188382883951493
Energy: 2.1332805014512197
Energy: 2.1188382883991865
Energy: 2.1332805014552574
Energy: 2.0640378614469994
Energy: 2.050233034038047
Energy: 2.0640378614469994
Energy: 2.05023303403401
Energy: 2.0640378614469994
Energy: 2.05023303403401
Energy: 2.0640378614469994
Energy: 1.8993461577357718
Energy: 1.977496158353945
Energy: 1.8993461577357718
Energy: 1.977496158353945
Energy: 1.8993461577357718
Energy: 1.977496158353945
Energy: 1.8993461577357718
Energy: 1.9300647959743098
Energy: 2.035551481880304
Energy: 1.9300647959743098
Energy: 2.0355514818762668
Energy: 1.9300647959743098
Energy: 2.035551481880304
Energy: 1.9300647959743098
Energy: 1.9156093256139741
Energy: 2.041462502345758
Energy: 1.9156093256139741
Energy: 2.041462502349795
Energy: 1.9156093256139741
Energy: 2.041462502345758
Energy: 1.9156093256099367
Energy: 2.0782129380501355
Energy: 2.0658887184200174
Energy: 2.078212938046098
Energy: 2.0658887184200174
Energy: 2.0782129380501355
Energy: 2.0658887184200174
Energy: 2.078212938046098
Energy: 2.014926985465122
Energy: 2.0410000404335222
Energy: 2.014926985465122
Energy: 2.0410000404335222
Energy: 2.014926985465122
Energy: 2.0410000404335222
Energy: 2.014926985465122
Energy: 1.9695025460873044
Energy: 2.0434050804743484
Energy: 1.9695025460873044
Energy: 2.0434050804743484
Energy: 1.9695025460913416
Energy: 2.0434050804743484
Energy: 1.9695025460873044
Energy: 1.9580397605315667
Energy: 2.042744505074427
Energy: 1.9580397605275293
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Energy: 1.9580397605315667
Energy: 2.042744505074427
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Energy: 1.90001650170159
Energy: 1.9323226731432686
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Energy: 1.932322673147306
Energy: 1.90001650170159
Energy: 1.9323226731432686
Energy: 1.969396822394599
Energy: 1.9964762270856646
Energy: 1.969396822394599
Energy: 1.9964762270816274
Energy: 1.969396822394599
Energy: 1.9964762270856646
Energy: 1.969396822394599
Energy: 1.9902371611513994
Energy: 1.9938099186027982
Energy: 1.9902371611554366
Energy: 1.9938099186027982
Energy: 1.9902371611513994
Energy: 1.9938099186027982
Energy: 1.9902371611554366
Energy: 1.9696613485374919
Energy: 2.094878589531531
Energy: 1.9696613485374919
Energy: 2.094878589531531
Energy: 1.9696613485374919
Energy: 2.0948785895274935
Energy: 1.9696613485374919
Energy: 1.9599313449581406
Energy: 2.0179864278011026
Energy: 1.9599313449581406
Energy: 2.0179864277970654
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Energy: 2.0179864277970654
Energy: 1.9599313449581406
Energy: 2.0029416900296733
Energy: 2.021860956686072
Energy: 2.0029416900296733
Energy: 2.021860956690109
Energy: 2.002941690033711
Energy: 2.021860956690109
Energy: 2.0029416900296733
Energy: 1.8990886866329777
Energy: 1.9955766169450657
Energy: 1.8990886866329777
Energy: 1.9955766169450657
Energy: 1.8990886866370151
Energy: 1.9955766169450657
Energy: 1.8990886866329777
Energy: 2.0849562600222113
Energy: 2.0913316646041418
Energy: 2.084956260026248
Energy: 2.0913316646001046
Energy: 2.0849562600222113
Energy: 2.0913316646001046
Energy: 2.084956260026248
Energy: 1.9201544868688654
Energy: 2.0127863205287655
Energy: 1.9201544868688654
Energy: 2.0127863205287655
Energy: 1.9201544868688654
Energy: 2.0127863205287655
Energy: 1.9201544868688654
Energy: 2.0274629681078724
Energy: 1.968561150548273
Energy: 2.02746296811191
Energy: 1.9685611505523102
Energy: 2.0274629681078724
Energy: 1.968561150548273
Energy: 2.02746296811191
Energy: 2.019835986640892
Energy: 1.9815897306762285
Energy: 2.019835986636855
Energy: 1.981589730672191
Energy: 2.019835986640892
Energy: 1.9815897306762285
Energy: 2.019835986636855
Energy: 1.9612410384827468
Energy: 1.9087984751476645
Energy: 1.9612410384827468
Energy: 1.908798475143627
Energy: 1.9612410384827468
Energy: 1.9087984751476645
Energy: 1.9612410384827468
Energy: 1.9474412088400115
Energy: 1.8925706096588677
Energy: 1.9474412088400115
Energy: 1.8925706096588677
Energy: 1.9474412088400115
Energy: 1.8925706096588677
Energy: 1.9474412088400115
Energy: 1.961034408537932
Energy: 2.0113132619807086
Energy: 1.961034408537932
Energy: 2.0113132619807086
Energy: 1.961034408537932
Energy: 2.0113132619807086
Energy: 1.961034408537932
Energy: 1.9639734944282414
Energy: 2.0316603427323896
Energy: 1.9639734944282414
Energy: 2.0316603427323896
Energy: 1.9639734944282414
Energy: 2.0316603427323896
Energy: 1.9639734944282414
Energy: 2.0145622275939803
Energy: 2.0729872602394415
Energy: 2.0145622275939803
Energy: 2.0729872602394415
Energy: 2.014562227589943
Energy: 2.0729872602394415
Energy: 2.0145622275939803
Energy: 2.163876811074408
Energy: 2.1347760474016373
Energy: 2.1638768110703706
Energy: 2.1347760474016373
Energy: 2.163876811074408
Energy: 2.1347760474016373
Energy: 2.1638768110703706
Energy: 1.9047242274565224
Energy: 2.0527957340275114
Energy: 1.9047242274565224
Energy: 2.0527957340275114
Energy: 1.9047242274605594
Energy: 2.0527957340275114
Energy: 1.9047242274565224
Energy: 2.130075457882988
Energy: 2.047193044248705
Energy: 2.130075457878951
Energy: 2.047193044248705
Energy: 2.130075457878951
Energy: 2.047193044248705
Energy: 2.130075457882988
Energy: 1.902242581103365
Energy: 1.9657421786241605
Energy: 1.902242581103365
Energy: 1.9657421786241605
Energy: 1.9022425811074024
Energy: 1.9657421786241605
Energy: 1.902242581103365
Energy: 2.0260723981167454
Energy: 2.1074806225281715
Energy: 2.0260723981207827
Energy: 2.1074806225322082
Energy: 2.0260723981167454
Energy: 2.1074806225281715
Energy: 2.0260723981207827
Energy: 1.9653512642905593
Energy: 2.142820178127621
Energy: 1.9653512642945967
Energy: 2.1428201781235834
Energy: 1.9653512642945967
Energy: 2.142820178127621
Energy: 2.0273614024339173
Energy: 2.0584790317033277
Energy: 1.9507558908652851
Energy: 2.058479031707365
Energy: 1.9507558908612481
Energy: 2.0584790317033277
Energy: 1.9507558908652851
Energy: 2.058479031707365
Energy: 1.922531073280968
Energy: 1.9528725878731947
Energy: 1.9225310732769305
Energy: 1.9528725878772322
Energy: 1.922531073280968
Energy: 1.9528725878731947
Energy: 1.9225310732769305
Energy: 1.902975578542184
Energy: 2.057347599680275
Energy: 1.9029755785381466
Energy: 2.057347599680275
Energy: 1.902975578542184
Energy: 2.057347599680275
Energy: 1.9029755785381466
Energy: 1.9385519613821618
Energy: 2.044778976702719
Energy: 1.9385519613861992
Energy: 2.044778976702719
Energy: 1.9385519613821618
Energy: 2.044778976702719
Energy: 1.9385519613861992
Energy: 2.0214065111664774
Energy: 2.044759754796621
Energy: 2.0214065111664774
Energy: 2.044759754796621
Energy: 2.0214065111664774
Energy: 2.044759754796621
Energy: 2.0214065111664774
Energy: 2.160429793461813
Energy: 2.1344629564278854
Energy: 2.1604297934658496
Energy: 2.1344629564278854
Energy: 2.160429793461813
Energy: 2.1344629564278854
Energy: 2.1604297934658496
Energy: 1.9570453340677758
Energy: 2.0461254534522197
Energy: 1.9570453340677758
Energy: 2.0461254534522197
Energy: 1.9570453340677758
Energy: 2.0461254534522197
Energy: 1.9570453340677758
Energy: 1.9722850096839262
Energy: 2.0406260322279457
Energy: 1.9722850096879636
Energy: 2.0406260322239085
Energy: 1.9722850096839262
Energy: 2.0406260322279457
Energy: 1.9722850096879636
Energy: 1.9052912474327313
Energy: 1.9253615699500999
Energy: 1.9052912474327313
Energy: 1.9253615699500999
Energy: 1.9052912474327313
Energy: 1.9253615699500999
Energy: 1.9052912474327313
Energy: 2.0959014793144832
Energy: 1.9987860974688647
Energy: 2.0959014793144832
Energy: 1.998786097472902
Energy: 2.0959014793144832
Energy: 1.9987860974688647
Energy: 2.0959014793144832
Energy: 1.995340400258427
Energy: 1.9881375835108435
Energy: 1.995340400258427
Energy: 1.9881375835108435
Energy: 1.995340400258427
Energy: 1.9881375835108435
Energy: 1.995340400258427
Energy: 2.085493176612961
Energy: 2.057721557861837
Energy: 2.085493176612961
Energy: 2.057721557861837
Energy: 2.085493176612961
Energy: 2.057721557861837
Energy: 2.085493176612961
Energy: 1.9337737866109788
Energy: 2.007566481094928
Energy: 1.9337737866109788
Energy: 2.007566481098965
Energy: 1.9337737866109788
Energy: 2.007566481094928
Energy: 1.9337737866109788
Energy: 1.9028634846336019
Energy: 2.025421087937316
Energy: 1.9028634846336019
Energy: 2.025421087937316
Energy: 1.9028634846336019
Energy: 2.025421087937316
Energy: 1.9028634846336019
Energy: 1.9166579639423282
Energy: 2.028636614155925
Energy: 1.9166579639423282
Energy: 2.028636614155925
Energy: 1.9166579639423282
Energy: 2.028636614155925
Energy: 1.9166579639423282
Energy: 1.9364101474208846
Energy: 2.0017156659926263
Energy: 1.9364101474168474
Energy: 2.0017156659926263
Energy: 1.9364101474208846
Energy: 2.0017156659926263
Energy: 1.9364101474168474

minimum gb energy = 1.8925706096588677 eV
minimum distance =  2.48239630490038 Angstroms
sigma value = 401


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

Energy: 2.1440050492560134
Energy: 2.1873388315635505
Energy: 2.14400504925368
Energy: 2.187338831564967
Energy: 2.144005049253263
Energy: 2.1873388315635505
Energy: 2.1440050492569296
Energy: 2.0321843943400713
Energy: 2.0548473290700544
Energy: 2.032184394338654
Energy: 2.054847329068221
Energy: 2.0321843943400713
Energy: 2.054847329070471
Energy: 2.032184394338238
Energy: 2.00977096656392
Energy: 1.9927613285500674
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Energy: 1.9927613285495673
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Energy: 1.9927613285491506
Energy: 2.00977096656392
Energy: 1.9310060048116084
Energy: 2.0603057478325892
Energy: 1.9310060048106918
Energy: 2.060305747831173
Energy: 1.9310060048116084
Energy: 2.0603057478325892
Energy: 1.9310060048106918
Energy: 1.9599889590344195
Energy: 2.039732609810365
Energy: 1.9599889590357527
Energy: 2.039732609810365
Energy: 1.959988959034836
Energy: 2.039732609810365
Energy: 1.9599889590357527
Energy: 2.027505412303988
Energy: 2.1077888103871043
Energy: 2.027505412303072
Energy: 2.107788810386188
Energy: 2.027505412303488
Energy: 2.1077888103876044
Energy: 2.027505412303488
Energy: 2.0436463048824294
Energy: 2.107511320891796
Energy: 2.0436463048851783
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Energy: 2.0436463048846787
Energy: 2.0180618621806365
Energy: 2.1074818552458368
Energy: 2.0180618621788033
Energy: 2.10748185524492
Energy: 2.0180618621802204
Energy: 2.1074818552463364
Energy: 2.018061862178387
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Energy: 2.1070278540725895
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Energy: 2.1070278540735057
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Energy: 1.931789172267538
Energy: 2.0673594696073057
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Energy: 2.067359469606889
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Energy: 1.9842085014916602
Energy: 2.0025951043159367
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Energy: 2.00259510431552
Energy: 1.9842085014916602
Energy: 2.0025951043146035
Energy: 1.9842085014921598
Energy: 2.070478422858242
Energy: 1.9981346000594242
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Energy: 1.9981346000590074
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Energy: 1.9981346000575912
Energy: 2.070478422857325
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Energy: 2.1322030794790656
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Energy: 2.0420748882341453
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Energy: 1.963511692527079
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Energy: 1.9310060048134416
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Energy: 1.9310060048125248
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Energy: 1.9310060048116084
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Energy: 1.9599889590362525
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Energy: 2.107244616680109
Energy: 2.0329984253706557
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Energy: 2.032998425370239
Energy: 1.972343698560595
Energy: 2.0396506764661098
Energy: 1.972343698559678
Energy: 2.0396506764661098
Energy: 1.972343698560595
Energy: 2.0396506764656097
Energy: 1.972343698559678
Energy: 1.9309934773923494
Energy: 2.0673594696073057
Energy: 1.9309934773918496
Energy: 2.0673594696087223
Energy: 1.9309934773923494
Energy: 2.067359469606889
Energy: 1.9309934773923494
Energy: 1.9842085014921598
Energy: 2.002595104317353
Energy: 1.9842085014930766
Energy: 2.0025951043159367
Energy: 1.9842085014921598
Energy: 2.0025951043182695
Energy: 1.9842085014930766
Energy: 2.086438809770243
Energy: 1.998134600058091
Energy: 2.086438809768827
Energy: 1.9981346000585076
Energy: 2.086438809770243
Energy: 1.9981346000585076
Energy: 2.086438809768827
Energy: 2.14400504925368
Energy: 2.187338831564467
Energy: 2.144005049258263
Energy: 2.187338831564467
Energy: 2.1440050492564295
Energy: 2.1873388315640505
Energy: 2.1440050492564295
Energy: 2.032184394338238
Energy: 2.054847329070471
Energy: 2.032184394338238
Energy: 2.054847329068221
Energy: 2.032184394337738
Energy: 2.0548473290695544
Energy: 2.032184394338238
Energy: 2.009770966563503
Energy: 1.9927613285504837
Energy: 2.009770966563503
Energy: 1.9927613285519001
Energy: 2.009770966563503
Energy: 1.9927613285509838
Energy: 2.009770966563503
Energy: 1.931006004813858
Energy: 2.060305747831173
Energy: 1.9310060048129416
Energy: 2.060305747831673
Energy: 1.9310060048134416
Energy: 2.060305747831673
Energy: 1.9310060048129416
Energy: 1.959988959034836
Energy: 2.039732609810365
Energy: 1.959988959035336
Energy: 2.039732609810365
Energy: 1.959988959034836
Energy: 2.0397326098107817
Energy: 1.959988959035336
Energy: 2.027505412303072
Energy: 2.1077888103880213
Energy: 2.027505412303072
Energy: 2.107788810386688
Energy: 2.027505412303072
Energy: 2.1077888103880213
Energy: 2.027505412303488
Energy: 2.043646304883762
Energy: 2.1075113208913794
Energy: 2.0436463048855957
Energy: 2.107511320890463
Energy: 2.043646304883762
Energy: 2.107511320892296
Energy: 2.0436463048855957
Energy: 2.01806186217972
Energy: 2.1074818552467534
Energy: 2.0180618621765536
Energy: 2.1074818552458368
Energy: 2.0180618621793034
Energy: 2.1074818552463364
Energy: 2.0180618621769706
Energy: 2.0391767706719715
Energy: 2.1070278540735057
Energy: 2.0391767706710544
Energy: 2.1070278540748393
Energy: 2.0391767706733046
Energy: 2.1070278540730056
Energy: 2.0391767706714714
Energy: 1.9716076205539093
Energy: 2.039650676465193
Energy: 1.9716076205544093
Energy: 2.0396506764656097
Energy: 1.9716076205539093
Energy: 2.0396506764656097
Energy: 1.9716076205553257
Energy: 1.9317891722652882
Energy: 2.067359469606889
Energy: 1.9317891722666214
Energy: 2.0673594696078057
Energy: 1.9317891722652882
Energy: 2.067359469606889
Energy: 1.9317891722666214
Energy: 1.9842085014916602
Energy: 2.0025951043164367
Energy: 1.9842085014925765
Energy: 2.00259510431777
Energy: 1.9842085014921598
Energy: 2.0025951043164367
Energy: 1.9842085014930766
Energy: 2.070478422858658
Energy: 1.9981346000575912
Energy: 2.0704784228568247
Energy: 1.9981346000585076
Energy: 2.070478422858658
Energy: 1.998134600058091
Energy: 2.0704784228568247
Energy: 2.13239515462692
Energy: 2.1322030794803988
Energy: 2.132395154624587
Energy: 2.1322030794803988
Energy: 2.1323951546223374
Energy: 2.1322030794803988
Energy: 2.1323951546227535
Energy: 1.9635116925279956
Energy: 2.0420748882355615
Energy: 1.9635116925284122
Energy: 2.0420748882341453
Energy: 1.9635116925279956
Energy: 2.0420748882337283
Energy: 1.9635116925293288

minimum gb energy = 1.9309934773918496 eV
minimum distance =  2.51316910037297 Angstroms
sigma value = 311


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

Energy: 2.0922914185601
Energy: 2.1846225060613307
Energy: 1.9971799514110051
Energy: 2.0632961380350032
Energy: 2.0922914185601
Energy: 2.1846225060613307
Energy: 1.9971799514115343
Energy: 2.0544749936980837
Energy: 2.0307001974727434
Energy: 2.0602589625703147
Energy: 2.0317341878944384
Energy: 2.0544749936986126
Energy: 2.0307001974727434
Energy: 2.060258962571373
Energy: 2.0462203633613085
Energy: 2.0780444857574008
Energy: 2.046259425565595
Energy: 2.0743032218187554
Energy: 2.0462203633613085
Energy: 2.0780444857574008
Energy: 2.0462594255650655
Energy: 2.24488301018903
Energy: 2.1153841609447066
Energy: 2.1868959247493978
Energy: 2.115384160945235
Energy: 2.24488301018903
Energy: 2.115384160945765
Energy: 2.1868959247499262
Energy: 2.1781139409358086
Energy: 2.119020768184864
Energy: 2.1782005826260127
Energy: 2.1190207681859223
Energy: 2.178113940935279
Energy: 2.1190207681859223
Energy: 2.1782005826260127
Energy: 1.9829554535217895
Energy: 2.228702469898576
Energy: 1.9829554535217895
Energy: 2.217067757176555
Energy: 1.9829554535223188
Energy: 2.228702469899634
Energy: 1.9829554535212601
Energy: 1.9530496340733159
Energy: 2.1689703812294927
Energy: 1.9530496340738448
Energy: 2.172411467250172
Energy: 1.9530496340738448
Energy: 2.168970381230022
Energy: 1.9530496340738448
Energy: 2.118821508972235
Energy: 2.1344553509182607
Energy: 2.2374410893654164
Energy: 2.1344553509182607
Energy: 2.118821508972235
Energy: 2.134455350918789
Energy: 2.237441089364358
Energy: 2.159570674327604
Energy: 2.1227270067419184
Energy: 2.2996009521019443
Energy: 2.1227270067424477
Energy: 2.159570674327604
Energy: 2.1227270067419184
Energy: 2.2996009521019443
Energy: 2.0420372286334514
Energy: 2.1755161032874857
Energy: 2.0086318608835576
Energy: 2.175607184601559
Energy: 2.042037228632922
Energy: 2.1755161032864274
Energy: 2.0086318608830283
Energy: 2.042518071279693
Energy: 2.1800987006530748
Energy: 2.02779527854103
Energy: 2.1800836215664026
Energy: 2.042518071280752
Energy: 2.180098700653604
Energy: 2.0277952785405007
Energy: 2.1641357377103643
Energy: 2.121339802685428
Energy: 2.1641357377098354
Energy: 2.1209907708289606
Energy: 2.1641357377098354
Energy: 2.121339802684899
Energy: 2.1641357377098354
Energy: 2.1513724391117193
Energy: 2.0659766451987527
Energy: 2.1513724391122486
Energy: 2.0659766451992816
Energy: 2.1513724391127775
Energy: 2.065976645199811
Energy: 2.1513724391117193
Energy: 1.9951966503618774
Energy: 2.0095550161588682
Energy: 1.9951966503613485
Energy: 2.0095550161588682
Energy: 1.9951966503613485
Energy: 2.0095550161593976
Energy: 1.9951966503613485
Energy: 2.0910387531647974
Energy: 2.168799551979822
Energy: 2.0910387531647974
Energy: 2.1688149828913166
Energy: 2.091038753163739
Energy: 2.1687995519787635
Energy: 2.0910387531642676
Energy: 2.005599497000714
Energy: 2.0744988295256346
Energy: 2.0055994970001843
Energy: 2.074498829526164
Energy: 2.0055994970001843
Energy: 2.0744988295251057
Energy: 2.0055994970001843
Energy: 2.0808252025625773
Energy: 2.0261062572337964
Energy: 2.081107617845183
Energy: 2.0261435141026927
Energy: 2.0808252025625773
Energy: 2.0261062572332666
Energy: 2.081107617844653
Energy: 2.0369044874491493
Energy: 2.1356867945166225
Energy: 2.0370382680130876
Energy: 2.126675501683535
Energy: 2.0369044874496782
Energy: 2.1356867945166225
Energy: 2.03703826801203
Energy: 2.187163101379146
Energy: 2.252100441436854
Energy: 2.11995082530241
Energy: 2.2573844508348855
Energy: 2.119950825301352
Energy: 2.252100441435267
Energy: 2.119950825301352
Energy: 2.1523684894350295
Energy: 2.275242505078589
Energy: 2.152185142785115
Energy: 2.2686912633412013
Energy: 2.1523684894360877
Energy: 2.275242505078589
Energy: 2.1521851427861733
Energy: 1.9743727541378067
Energy: 1.9918575209640357
Energy: 1.9743727541372775
Energy: 1.991857520964565
Energy: 1.9743727541372775
Energy: 1.991857520964565
Energy: 1.9743727541372775
Energy: 1.9929595508672042
Energy: 2.140761905749084
Energy: 1.992959550866675
Energy: 2.142319962837934
Energy: 1.992959550866675
Energy: 2.1407619057496134
Energy: 1.9929595508672042
Energy: 2.226242511104979
Energy: 2.0752055972848122
Energy: 2.204913073069264
Energy: 2.0474652015487416
Energy: 2.199817613814394
Energy: 2.0752055972837544
Energy: 2.0945647682721753
Energy: 2.2266775850397336
Energy: 2.185602940171977
Energy: 2.14146929414147
Energy: 2.1416745874669827
Energy: 2.2266775850397336
Energy: 2.1856029401709183
Energy: 2.1414692941409403
Energy: 2.088867966484461
Energy: 2.0559583345339547
Energy: 2.08860184053962
Energy: 2.0559035130092305
Energy: 2.0888679664855188
Energy: 2.055958334533426
Energy: 2.088601840540678
Energy: 2.2169883492038767
Energy: 2.1273677918020093
Energy: 2.217050356715121
Energy: 2.1279210893341496
Energy: 2.2169883492033478
Energy: 2.1273677918004217
Energy: 2.2170503567140627
Energy: 2.132198616078351
Energy: 2.116311217884069
Energy: 2.262809968362951
Energy: 2.116311217884069
Energy: 2.1275744241620687
Energy: 2.116311217884069
Energy: 2.127593792507234
Energy: 2.083164819191121
Energy: 2.2044078100599904
Energy: 2.083164819191121
Energy: 2.2006066046581667
Energy: 2.0831648191905923
Energy: 2.204407809922454
Energy: 2.083164819191121
Energy: 2.0106713226904915
Energy: 2.005177503370571
Energy: 2.0106713226904915
Energy: 2.005177503370042
Energy: 2.0106713226910204
Energy: 2.005177503370042
Energy: 2.0106713226904915
Energy: 2.141486892146546
Energy: 2.1558506549997754
Energy: 2.2162344406725945
Energy: 2.0600049021094713
Energy: 2.1414868921460166
Energy: 2.1558506549997754
Energy: 2.2162344406720655
Energy: 2.029258941546361
Energy: 2.1207131523385
Energy: 2.240625385640669
Energy: 2.1207131523390297
Energy: 2.065698544708445
Energy: 2.120713152339558
Energy: 2.184290827082689
Energy: 2.049972707430551
Energy: 2.1688183675962036
Energy: 2.0426547701189444
Energy: 2.168972156908081
Energy: 2.049972707430021
Energy: 2.1688183675967325
Energy: 2.042654770118415
Energy: 2.033034307604505
Energy: 2.0589913855975452
Energy: 2.058742974128576
Energy: 2.0592565179045543
Energy: 2.0330343076050346
Energy: 2.0589913855975452
Energy: 2.058742974128576
Energy: 2.168850413529185
Energy: 2.25496427018089
Energy: 2.168850413529185
Energy: 2.2572437272825896
Energy: 2.1688504135302433
Energy: 2.25496427018089
Energy: 2.1688504135302433
Energy: 2.1355218961603963
Energy: 2.23636715480627
Energy: 2.1353615555004373
Energy: 2.236152672017486
Energy: 2.227142349360458
Energy: 2.2363671548057407
Energy: 2.2362994761158115
Energy: 1.976803419766231
Energy: 2.0030726253957725
Energy: 1.976803419765702
Energy: 2.003072625394185
Energy: 1.976803419765173
Energy: 2.0030726253957725
Energy: 1.9768034197646436

minimum gb energy = 1.9530496340733159 eV
minimum distance =  2.46810104159888 Angstroms
sigma value = 39


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

Energy: 1.9927053849197116
Energy: 2.064565715332331
Energy: 1.9927053849190872
Energy: 2.064565715330458
Energy: 1.9927053849197116
Energy: 2.064565715331082
Energy: 1.9927053849190872
Energy: 1.93133790071892
Energy: 1.872104052838343
Energy: 1.93133790071892
Energy: 1.8721040528377184
Energy: 1.9313379007176708
Energy: 1.872104052838343
Energy: 1.9313379007195441
Energy: 1.969741589837142
Energy: 1.9034089334132427
Energy: 1.9697415898377661
Energy: 1.9034089334138673
Energy: 1.9697415898377661
Energy: 1.9034089334132427
Energy: 1.9697415898377661
Energy: 2.144391410506809
Energy: 1.8528883646183751
Energy: 2.1443914105074335
Energy: 1.8528883646196241
Energy: 2.1443914105061843
Energy: 1.852888364617126
Energy: 2.1443914105061843
Energy: 1.943596770438828
Energy: 1.8949673858233411
Energy: 1.9435967704394526
Energy: 1.8949673858239655
Energy: 1.9435967704375787
Energy: 1.8949673858258391
Energy: 1.9435967704394526
Energy: 2.011181365474849
Energy: 1.9084596444227337
Energy: 2.011181365476098
Energy: 1.9084596444227337
Energy: 2.011181365476098
Energy: 1.9084596444227337
Energy: 2.0111813654754735
Energy: 2.185656635345672
Energy: 1.9681168004094438
Energy: 2.185656635344423
Energy: 1.9681168004094438
Energy: 2.27402754405832
Energy: 1.9681168004094438
Energy: 2.1931415100107974
Energy: 2.0168207882918363
Energy: 1.9529569652711585
Energy: 2.0168207882924607
Energy: 1.952956965271783
Energy: 2.0168207882924607
Energy: 1.952956965273032
Energy: 2.0168207882924607
Energy: 2.0277771499749955
Energy: 1.9526035335794063
Energy: 2.0277771499762447
Energy: 1.9526035335794063
Energy: 2.0277771499756203
Energy: 1.9526035335787817
Energy: 2.0277771499749955
Energy: 1.9636965160009399
Energy: 2.035027543246919
Energy: 1.9636965159996906
Energy: 2.035027543246294
Energy: 1.9636965159996906
Energy: 2.035027543246294
Energy: 1.9636965159996906
Energy: 1.9330019763707458
Energy: 1.9814705969085826
Energy: 1.9330019763707458
Energy: 1.9814705969098318
Energy: 1.9330019763707458
Energy: 1.9814705969098318
Energy: 1.933001976370121
Energy: 1.984256323929612
Energy: 1.8541025894278194
Energy: 1.984256323929612
Energy: 1.8541025894265706
Energy: 1.9842563239302364
Energy: 1.8541025894284442
Energy: 1.984256323929612
Energy: 1.9413857306523792
Energy: 1.8973878089009335
Energy: 1.9413857306542528
Energy: 1.897387808900309
Energy: 1.9413857306536282
Energy: 1.8973878088990597
Energy: 1.9413857306542528
Energy: 1.9692235653977759
Energy: 1.8537730432096773
Energy: 1.9692235653977759
Energy: 1.853773043210302
Energy: 1.9692235653984003
Energy: 1.8537730432096773
Energy: 1.9692235654002739
Energy: 2.1619661844192737
Energy: 1.954835951919723
Energy: 2.0995518476501207
Energy: 1.9548359519184741
Energy: 2.09955184765137
Energy: 1.9548359519190988
Energy: 2.0995518476507455
Energy: 1.9696434589036476
Energy: 1.912994578104217
Energy: 1.9696434589036476
Energy: 1.912994578105466
Energy: 1.969643458903023
Energy: 1.9129945781048416
Energy: 1.9696434589042717
Energy: 2.0082550021869507
Energy: 1.9527075767732287
Energy: 2.0082550021850776
Energy: 1.9527075767726043
Energy: 2.0082550021869507
Energy: 1.9527075767726043
Energy: 2.0082550021863264
Energy: 2.0666863051989703
Energy: 1.9500179092871912
Energy: 2.066686305197721
Energy: 1.9500179092859424
Energy: 2.0666863051995947
Energy: 1.9500179092865668
Energy: 2.0666863051989703
Energy: 2.042894022151324
Energy: 1.9643008578148675
Energy: 2.179371719261674
Energy: 1.9643008578154921
Energy: 2.0828920624730203
Energy: 1.9643008578136183
Energy: 2.0828920624730203
Energy: 1.9639950472477221
Energy: 2.0291087193553805
Energy: 1.9639950472483465
Energy: 2.0291087193553805
Energy: 1.9639950472477221
Energy: 2.0291087193553805
Energy: 1.9639950472477221
Energy: 1.9887429798663883
Energy: 1.8532721627517863
Energy: 1.9887429798663883
Energy: 1.8532721627530355
Energy: 1.9887429798663883
Energy: 1.8532721627524107
Energy: 1.9887429798651393
Energy: 2.0167142883357387
Energy: 1.851316643095141
Energy: 2.016714288336363
Energy: 1.851316643095766
Energy: 2.0167142883357387
Energy: 1.851316643095141
Energy: 2.0167142883357387
Energy: 2.0432276577602404
Energy: 1.9034356498325935
Energy: 2.1620417836449346
Energy: 1.9034356498319691
Energy: 2.157635094367091
Energy: 1.9034356498319691
Energy: 2.1554103857579694
Energy: 1.9407968423876532
Energy: 1.8503083744018842
Energy: 1.940796842387029
Energy: 1.8503083744012598
Energy: 1.940796842388278
Energy: 1.8503083744012598
Energy: 1.940796842388278
Energy: 2.0178353852584094
Energy: 1.9153347870985384
Energy: 2.0178353852584094
Energy: 1.9153347870979136
Energy: 2.017835385256536
Energy: 1.9153347870972892
Energy: 2.017835385256536
Energy: 2.082484030249047
Energy: 1.9726918383390755
Energy: 2.082484030247798
Energy: 1.9726918383390755
Energy: 2.0824840302484224
Energy: 1.9726918383390755
Energy: 2.082484030249047
Energy: 2.017780275568405
Energy: 1.950443482641541
Energy: 2.0177802755715275
Energy: 1.9504434826434147
Energy: 2.017780275570903
Energy: 1.950443482641541
Energy: 2.0177802755702787
Energy: 1.9315503465506094
Energy: 1.947852282683617
Energy: 1.931550346549985
Energy: 1.947852282683617
Energy: 1.9315503465493606
Energy: 1.9478522826842413
Energy: 1.931550346549985
Energy: 1.9927053849197116
Energy: 2.064565715331082
Energy: 1.9927053849190872
Energy: 2.064565715329833
Energy: 1.9927053849197116
Energy: 2.064565715330458
Energy: 1.9927053849197116
Energy: 1.93133790071892
Energy: 1.8721040528377184
Energy: 1.9313379007195441
Energy: 1.8721040528377184
Energy: 1.93133790071892
Energy: 1.8721040528377184
Energy: 1.9313379007195441

minimum gb energy = 1.8503083744012598 eV
minimum distance =  2.47682300254511 Angstroms
sigma value = 21


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

Energy: 1.8335237669926114
Energy: 1.920332006901151
Energy: 1.8335237669918534
Energy: 1.920332006901909
Energy: 1.8335237669933697
Energy: 1.920332006901909
Energy: 1.8335237669910953
Energy: 1.7361201255840961
Energy: 1.698287902137145
Energy: 1.7361201255840961
Energy: 1.6982879021363868
Energy: 1.7361201255840961
Energy: 1.698287902137145
Energy: 1.7361201255848537
Energy: 1.8060466727802338
Energy: 1.7756877622396514
Energy: 1.8060466727802338
Energy: 1.7756877622373772
Energy: 1.8060466727802338
Energy: 1.7756877622343443
Energy: 1.8060466727802338
Energy: 1.6757983326432324
Energy: 1.696108738410593
Energy: 1.6757983326424744
Energy: 1.6961087384113513
Energy: 1.6757983326432324
Energy: 1.6961087384113513
Energy: 1.6757983326432324
Energy: 1.6377601020672687
Energy: 1.7351332054547741
Energy: 1.6377601020672687
Energy: 1.735133205454016
Energy: 1.637760102068027
Energy: 1.735133205454016
Energy: 1.6377601020672687
Energy: 1.668344210851277
Energy: 1.708453947564153
Energy: 1.668344210852035
Energy: 1.7084539475649105
Energy: 1.668344210851277
Energy: 1.7084539475649105
Energy: 1.668344210851277
Energy: 1.5973905287352073
Energy: 2.405849714268709
Energy: 1.5973905287352073
Energy: 2.4058497142694666
Energy: 1.5973905287352073
Energy: 2.405849714268709
Energy: 1.5973905287352073
Energy: 1.7221703411916058
Energy: 1.7026749428192145
Energy: 1.7221703411916058
Energy: 1.7026749428192145
Energy: 1.7221703411916058
Energy: 1.7026749428192145
Energy: 1.7221703411916058
Energy: 1.822094027114886
Energy: 1.6563492487030835
Energy: 1.822094027114886
Energy: 1.6563492487015674
Energy: 1.822094027114886
Energy: 1.6563492487023255
Energy: 1.822094027114886
Energy: 1.6848168824889074
Energy: 2.3680477069848895
Energy: 1.6848168824896657
Energy: 2.3680477069848895
Energy: 1.6848168824896657
Energy: 2.3680477069848895
Energy: 1.6848168824896657
Energy: 1.5883640413247146
Energy: 1.7030172984720762
Energy: 1.5883640413247146
Energy: 1.7030172984720762
Energy: 1.5883640413239566
Energy: 1.703017298471318
Energy: 1.5883640413247146
Energy: 1.6662425590774388
Energy: 1.7359755192599378
Energy: 1.6662425590774388
Energy: 1.7359755192599378
Energy: 1.6662425590781968
Energy: 1.7359755192599378
Energy: 1.6662425590774388
Energy: 1.7330737635213513
Energy: 1.6582951124624274
Energy: 1.7330737635213513
Energy: 1.6582951124616692
Energy: 1.7330737635213513
Energy: 1.6582951124624274
Energy: 1.7330737635213513
Energy: 1.7631682521231449
Energy: 2.4284354733259854
Energy: 1.7631682521223866
Energy: 2.4284354733259854
Energy: 1.7631682521231449
Energy: 2.4284354733259854
Energy: 1.7631682521223866
Energy: 1.7287422365306233
Energy: 1.7127070373310322
Energy: 1.7287422365291072
Energy: 1.7127070373317905
Energy: 1.7287422365306233
Energy: 1.7127070373317905
Energy: 1.7287422365306233
Energy: 1.8387477656851672
Energy: 1.866247149107731
Energy: 1.8387477656866835
Energy: 1.866247149107731
Energy: 1.8387477656866835
Energy: 1.866247149107731
Energy: 1.8387477656844093
Energy: 1.7607668602543363
Energy: 1.6930432395698156
Energy: 1.760766860253578
Energy: 1.6930432395698156
Energy: 1.760766860253578
Energy: 1.693043239570574
Energy: 1.760766860253578
Energy: 1.7881017060332753
Energy: 2.4284595738815162
Energy: 1.7881017060325173
Energy: 2.4284595738822747
Energy: 1.7881017060332753
Energy: 2.4284595738815162
Energy: 1.7881017060325173
Energy: 1.7263703564992614
Energy: 1.7125328479242967
Energy: 1.7263703564985033
Energy: 1.7125328479235389
Energy: 1.7263703564992614
Energy: 1.7125328479242967
Energy: 1.7263703564992614
Energy: 1.6656619677620337
Energy: 1.649126608654274
Energy: 1.6656619677620337
Energy: 1.6491266086550322
Energy: 1.66566196776355
Energy: 1.649126608654274
Energy: 1.6656619677620337
Energy: 1.6708516154822313
Energy: 1.8154418310162126
Energy: 1.6708516154822313
Energy: 1.8154418310169709
Energy: 1.6708516154822313
Energy: 1.8154418310162126
Energy: 1.6708516154822313
Energy: 1.5818975468042598
Energy: 2.4191191514534234
Energy: 1.5818975468042598
Energy: 2.4191191514534234
Energy: 1.5818975468042598
Energy: 2.4191191514534234
Energy: 1.5818975468042598
Energy: 1.6703919170181674
Energy: 1.712761393865366
Energy: 1.7678205711784494
Energy: 1.712761393865366
Energy: 1.7435152643440643
Energy: 1.712761393865366
Energy: 1.7435152643440643
Energy: 1.7894085419485586
Energy: 1.6490788469659823
Energy: 1.7894085419485586
Energy: 1.6490788469659823
Energy: 1.7894085419485586
Energy: 1.6490788469659823
Energy: 1.7894085419485586
Energy: 1.6703047420932282
Energy: 1.8481084802508863
Energy: 1.6703047420939865
Energy: 1.848108480250128
Energy: 1.6703047420932282
Energy: 1.8481084802508863
Energy: 1.6703047420939865

minimum gb energy = 1.5818975468042598 eV
minimum distance =  2.53105955730881 Angstroms
sigma value = 113


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

Energy: 1.5719063409410376
Energy: 1.6065423779597383
Energy: 1.5719063409380372
Energy: 1.6065423779580459
Energy: 1.571906340941422
Energy: 1.6065423779593537
Energy: 1.5719063409380372
Energy: 1.5476940259181844
Energy: 1.4808688295366546
Energy: 1.547694025917338
Energy: 1.4808688295383472
Energy: 1.5476940259190308
Energy: 1.4808688295375008
Energy: 1.5476940259169534
Energy: 1.563775788920978
Energy: 1.5513369186054276
Energy: 1.563775788920978
Energy: 1.5513369186037351
Energy: 1.563775788920978
Energy: 1.5513369186049661
Energy: 1.563775788920978
Energy: 1.4795705193518098
Energy: 1.4752819477869252
Energy: 1.479570519352656
Energy: 1.4752819477810015
Energy: 1.4795705193535023
Energy: 1.475281947784848
Energy: 1.4795705193531177
Energy: 1.4817639166673406
Energy: 1.5779283237121717
Energy: 1.4817639166694947
Energy: 1.5779283237130182
Energy: 1.4817639166673406
Energy: 1.5779283237117103
Energy: 1.4817639166698793
Energy: 1.4723656538907655
Energy: 1.4932380080030196
Energy: 1.4723656538907655
Energy: 1.4932380080321763
Energy: 1.4723656538916117
Energy: 1.493238008018252
Energy: 1.472365653890304
Energy: 1.45669235752086
Energy: 1.5205583178031574
Energy: 1.456692357519552
Energy: 1.5205583178031574
Energy: 1.4566923575203985
Energy: 1.5205583178031574
Energy: 1.456692357519552
Energy: 1.4673547361690085
Energy: 1.4344225915863795
Energy: 1.4673547361694699
Energy: 1.4344225915868412
Energy: 1.4673547361694699
Energy: 1.4344225915863795
Energy: 1.467354736170316
Energy: 1.5177684522105461
Energy: 1.4772083262427174
Energy: 1.5177684522117767
Energy: 1.4772083262431017
Energy: 1.5177684522092383
Energy: 1.4772083262447944
Energy: 1.5177684522117767
Energy: 1.4909046385361753
Energy: 1.436256103104055
Energy: 1.490904638537021
Energy: 1.4362561031049013
Energy: 1.4909046385366367
Energy: 1.4362561031057477
Energy: 1.490904638537021
Energy: 1.420732585847686
Energy: 1.3912980306502956
Energy: 1.4207325858485322
Energy: 1.391298030651988
Energy: 1.4207325858459934
Energy: 1.3912980306494491
Energy: 1.4207325858502247
Energy: 1.4237065998290108
Energy: 1.4564173308342665
Energy: 1.4237065998277798
Energy: 1.4564173308351125
Energy: 1.4237065998281644
Energy: 1.4564173308346509
Energy: 1.4237065998273182
Energy: 1.3610319028350655
Energy: 1.6187368297243387
Energy: 1.3610319028376041
Energy: 1.6187368297222615
Energy: 1.3610319028362963
Energy: 1.6187368297256466
Energy: 1.3610319028371427
Energy: 1.5018002509890291
Energy: 1.4343672452071656
Energy: 1.5018002509915678
Energy: 1.4343672452249367
Energy: 1.5018002509894905
Energy: 1.4343672452261675
Energy: 1.5018002509915678
Energy: 1.488684176035626
Energy: 1.3980789217159486
Energy: 1.488684176033549
Energy: 1.398078921722257
Energy: 1.4886841760352416
Energy: 1.39807892172018
Energy: 1.488684176033549
Energy: 1.411151274116926
Energy: 1.7894923441649304
Energy: 1.4111512741160799
Energy: 1.7894923441645458
Energy: 1.4111512741160799
Energy: 1.7894923441653918
Energy: 1.4111512741160799
Energy: 1.3609861407311095
Energy: 1.4494682079915238
Energy: 1.3609861407328019
Energy: 1.4494682079949088
Energy: 1.360986140731571
Energy: 1.4494682079923702
Energy: 1.3609861407324173
Energy: 1.4199258539640707
Energy: 1.445411260262966
Energy: 1.4199258539640707
Energy: 1.4454112602663511
Energy: 1.4199258539640707
Energy: 1.445411260262966
Energy: 1.4199258539645323
Energy: 1.4563715809161963
Energy: 1.4137254911610433
Energy: 1.4563715809170423
Energy: 1.413725491161505
Energy: 1.4563715809158118
Energy: 1.4137254911585047
Energy: 1.4563715809170423
Energy: 1.4753077801002688
Energy: 1.635359734796898
Energy: 1.4753077801015764
Energy: 1.6353597347998214
Energy: 1.47530778010073
Energy: 1.6353597347985902
Energy: 1.4753077801015764
Energy: 1.455490716670706
Energy: 1.4300731110234575
Energy: 1.4554907166710909
Energy: 1.4300731110234575
Energy: 1.4554907166736295
Energy: 1.430073111023919
Energy: 1.4554907166710909
Energy: 1.4466774518636132
Energy: 1.4605615433961725
Energy: 1.4466774518644596
Energy: 1.4605615431516872
Energy: 1.4466774518631516
Energy: 1.4605615447732307
Energy: 1.4466774518631516
Energy: 1.4535406227757515
Energy: 1.4034632424331777
Energy: 1.453540622776598
Energy: 1.403463242433639
Energy: 1.4535406227740593
Energy: 1.4034632424361777
Energy: 1.4535406227769825
Energy: 1.4080152556147403
Energy: 1.7226366562853352
Energy: 1.408015255613894
Energy: 1.72263665628195
Energy: 1.4080152556147403
Energy: 1.7226366562827966
Energy: 1.4080152556135095
Energy: 1.59059328208547
Energy: 1.4617589136922833
Energy: 1.5905932820859314
Energy: 1.4617589136939757
Energy: 1.5905932820867779
Energy: 1.461758913694822
Energy: 1.59059328208547
Energy: 1.5260278450597533
Energy: 1.4702242407631432
Energy: 1.5260278450593687
Energy: 1.4702242407639896
Energy: 1.5260278450605995
Energy: 1.4702242407635275
Energy: 1.5260278450610612
Energy: 1.5500254530119395
Energy: 1.7020883333848205
Energy: 1.5500254530153246
Energy: 1.7020883333839745
Energy: 1.5500254530119395
Energy: 1.7020883333839745
Energy: 1.550025453015709
Energy: 1.503293035847905
Energy: 1.6966454469653731
Energy: 1.503293035847905
Energy: 1.6966454469682963
Energy: 1.503293035848751
Energy: 1.6966454469682963
Energy: 1.5032930358483667
Energy: 1.6909502455828023
Energy: 1.500257132660999
Energy: 1.6909502455814944
Energy: 1.500257132660999
Energy: 1.6909502455811098
Energy: 1.5002571326597685
Energy: 1.6909502455831873
Energy: 1.5313723361962335
Energy: 1.47058463144491
Energy: 1.5313723361906943
Energy: 1.4705846314461408
Energy: 1.5313723361818472
Energy: 1.4705846314440638
Energy: 1.5313723361864633
Energy: 1.515773947956492
Energy: 1.4977840153834288
Energy: 1.5157739479573382
Energy: 1.4977840153796593
Energy: 1.515773947956492
Energy: 1.4977840153825828
Energy: 1.5157739479569534
Energy: 1.408046470685829
Energy: 1.6803889049700775
Energy: 1.408046470684598
Energy: 1.680388904973001
Energy: 1.4080464706854445
Energy: 1.6803889049713086
Energy: 1.4080464706841367
Energy: 1.6064209207723872
Energy: 1.5111882906166187
Energy: 1.606420920772849
Energy: 1.5111882906179266
Energy: 1.606420920772849
Energy: 1.5111882906183116
Energy: 1.6064209207723872
Energy: 1.4127661304163155
Energy: 1.4443878616049741
Energy: 1.4127661304171615
Energy: 1.4443878616045895
Energy: 1.4127661304163155
Energy: 1.4443878616045895
Energy: 1.4127661304171615
Energy: 1.4640119555226188
Energy: 1.6396399013023293
Energy: 1.4640119555217725
Energy: 1.6396399013023293
Energy: 1.464011955523465
Energy: 1.6396399013035599
Energy: 1.4640119555226188
Energy: 1.4598691328031463
Energy: 1.6155317430593612
Energy: 1.4598691328065314
Energy: 1.6155317430615153
Energy: 1.459869132802685
Energy: 1.6155317430593612
Energy: 1.4598691328065314
Energy: 1.6590540416044932
Energy: 1.4396508850014091
Energy: 1.659054041604878
Energy: 1.4396508850027168
Energy: 1.659054041604878
Energy: 1.4396508850022554
Energy: 1.659054041604878
Energy: 1.4116860547787855
Energy: 1.3965703294820706
Energy: 1.4116860547762469
Energy: 1.3965703294820706
Energy: 1.4116860547779395
Energy: 1.3965703294820706
Energy: 1.4116860547762469
Energy: 1.4156060578819414
Energy: 1.4213725802301052
Energy: 1.4156060578840952
Energy: 1.4213725802301052
Energy: 1.4156060578819414
Energy: 1.4213725802288744
Energy: 1.4156060578836338
Energy: 1.3607358176370004
Energy: 1.4124859794596782
Energy: 1.3607358176339999
Energy: 1.4124859794292135
Energy: 1.360735817637385
Energy: 1.4124859794592166
Energy: 1.3607358176339999
Energy: 1.4384554084517789
Energy: 1.4583774746512397
Energy: 1.4384554084547791
Energy: 1.458377474652932
Energy: 1.438455408451394
Energy: 1.4583774746517013
Energy: 1.4384554084556254
Energy: 1.444316613036164
Energy: 1.4006022417751807
Energy: 1.4443166130370102
Energy: 1.400602241815723
Energy: 1.4443166130366254
Energy: 1.4006022417417159
Energy: 1.444316613036164
Energy: 1.4172357123939532
Energy: 1.8217800354381084
Energy: 1.4172357123939532
Energy: 1.8217800354372622
Energy: 1.4172357123943378
Energy: 1.8217800354372622
Energy: 1.4172357123943378
Energy: 1.3605734806815795
Energy: 1.4248622406698304
Energy: 1.3605734806815795
Energy: 1.424862240675369
Energy: 1.3605734806815795
Energy: 1.4248622406719842
Energy: 1.3605734806807332
Energy: 1.412158903404946
Energy: 1.4433613846417122
Energy: 1.4121589034040998
Energy: 1.4433613846404814
Energy: 1.4121589034045614
Energy: 1.4433613846421738
Energy: 1.4121589034040998

minimum gb energy = 1.3605734806807332 eV
minimum distance =  2.5155147218683 Angstroms
sigma value = 365


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

Energy: 0.4804733018310206
Energy: 0.5843713119223514
Energy: 0.4804733018319746
Energy: 0.5843713119213975
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 3.3420748811061705
Energy: 1.671345861171532
Energy: 3.3420904523717407
Energy: 1.6713458611724858
Energy: 3.3422293625413073
Energy: 1.671345861171532
Energy: 3.036172614228961
Energy: 0.4804733018319746
Energy: 0.5843713119213975
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 0.5843713119223514
Energy: 0.4804733018310206
Energy: 3.3419662908347214
Energy: 1.671345861171532
Energy: 3.3420213870804254
Energy: 1.671345861171532
Energy: 3.0358826270616213
Energy: 1.671345861171532
Energy: 3.0364192992333794
Energy: 0.4804733018319746
Energy: 0.5843713119213975
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 0.5843713119213975
Energy: 0.4804733018310206
Energy: 3.3419299496558152
Energy: 1.671345861171532
Energy: 3.0361343349184002
Energy: 1.671345861171532
Energy: 3.0357044805590148
Energy: 1.671345861171532
Energy: 3.0361301936713447
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 0.5843713119223514
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 3.035664230139291
Energy: 1.6713458611705778
Energy: 3.3419895664772827
Energy: 1.671345861171532
Energy: 3.3422014132296254
Energy: 1.671345861171532
Energy: 3.0359614539732447
Energy: 0.4804733018319746
Energy: 0.5843713119213975
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 0.5843713119213975
Energy: 0.4804733018310206
Energy: 3.035914451781202
Energy: 1.671345861171532
Energy: 3.0359789678311184
Energy: 1.671345861171532
Energy: 3.035730535440293
Energy: 1.671345861171532
Energy: 3.0360138033808908
Energy: 0.4804733018319746
Energy: 0.5843713119223514
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 0.5843713119223514
Energy: 0.4804733018310206
Energy: 3.0358791847588082
Energy: 1.671345861171532
Energy: 3.035649513014875
Energy: 1.671345861171532
Energy: 3.0359786871032592
Energy: 1.671345861171532
Energy: 3.342169950447907
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 0.5843713119213975
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 3.035791101909463
Energy: 1.671345861171532
Energy: 3.0357354532877405
Energy: 1.671345861171532
Energy: 3.036154672194834
Energy: 1.6713458611705778
Energy: 3.3420853804268353
Energy: 0.4804733018319746
Energy: 0.5843713119223514
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 0.5843713119213975
Energy: 0.4804733018310206
Energy: 3.0364782608422956
Energy: 1.671345861171532
Energy: 3.0358974754373547
Energy: 1.671345861171532
Energy: 3.0358319476788798
Energy: 1.671345861171532
Energy: 3.0356603139366354
Energy: 0.4804733018319746
Energy: 0.5843713119213975
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 0.5843713119213975
Energy: 0.4804733018310206
Energy: 3.0364504186190056
Energy: 1.6713458611724858
Energy: 3.0362909498989246
Energy: 1.671345861171532
Energy: 3.0359053648287304
Energy: 1.6713458611724858
Energy: 3.03565015676006
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 0.5843713119223514
Energy: 0.4804733018310206
Energy: 0.5843713119213975
Energy: 0.4804733018319746
Energy: 3.0364330114213613
Energy: 1.671345861171532
Energy: 3.036145737408891
Energy: 1.6713458611724858
Energy: 3.035682663977125
Energy: 1.671345861171532
Energy: 3.341998818884956

minimum gb energy = 0.4804733018310206 eV
minimum distance =  2.42072790432423 Angstroms
sigma value = 23