Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_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=3.1465589627623562
cohesive_energy=6.810535584409671
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: 0.02130081713948417
Energy: 0.36974342690390416
Energy: 0.021300817139183748
Energy: 0.36974342690390416
Energy: 0.02130081713948417
Energy: 0.3697434269029278
Energy: 0.02130081713948417
Energy: 0.02313063316583811
Energy: 0.735433518467244
Energy: 0.02313063316583811
Energy: 0.735433518467582
Energy: 0.023130633166176088
Energy: 0.7354335184669436
Energy: 0.02313063316583811
Energy: 1.8999718904477834
Energy: 0.6977106854636146
Energy: 2.3153821788879383
Energy: 0.6977106854639525
Energy: 0.021622440093257155
Energy: 0.6977106854629762
Energy: 0.021622440093257155
Energy: 0.023130633166476514
Energy: 0.7354335184669436
Energy: 0.023130633166176088
Energy: 0.7354335184669436
Energy: 0.023130633166476514
Energy: 0.7354335184669436
Energy: 0.02313063316583811
Energy: 0.02130081713948417
Energy: 0.3697434269035662
Energy: 0.02130081713948417
Energy: 0.36974342690390416
Energy: 0.02130081713948417
Energy: 0.3697434269032658
Energy: 0.02130081713948417
Energy: 0.023130633166176088
Energy: 0.7354335184669436
Energy: 0.02313063316583811
Energy: 0.7354335184669436
Energy: 0.023130633166476514
Energy: 0.735433518467244
Energy: 0.02313063316583811

minimum gb energy = 0.021300817139183748 eV
minimum distance =  2.71888024905504 Angstroms
sigma value = 5


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

Energy: 2.133283708194989
Energy: 2.118537969798313
Energy: 2.133283708190952
Energy: 2.118537969798313
Energy: 2.133283708194989
Energy: 2.1185379697942754
Energy: 2.133283708190952
Energy: 2.0638585100069866
Energy: 2.050232106470661
Energy: 2.0638585100069866
Energy: 2.050232106470661
Energy: 2.0638585100069866
Energy: 2.050232106470661
Energy: 2.0638585100069866
Energy: 1.8993461577623754
Energy: 1.9774961732260714
Energy: 1.8993461577583381
Energy: 1.9774961732260714
Energy: 1.8993461577623754
Energy: 1.9774961732260714
Energy: 1.8993461577583381
Energy: 1.9300648189914744
Energy: 2.0355516554486597
Energy: 1.930064818987437
Energy: 2.035551655452697
Energy: 1.9300648189914744
Energy: 2.0355516554486597
Energy: 1.930064818987437
Energy: 1.915609406048333
Energy: 2.041462528844513
Energy: 1.915609406048333
Energy: 2.0414625288485504
Energy: 1.915609406048333
Energy: 2.041462528844513
Energy: 1.915609406048333
Energy: 2.07813197880215
Energy: 2.066037526867933
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Energy: 2.078131978806187
Energy: 2.066037526867933
Energy: 2.078131978806187
Energy: 2.0153199535452226
Energy: 2.0493869324009437
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Energy: 2.0493869324009437
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Energy: 2.0493869324009437
Energy: 2.0153199535411854
Energy: 1.96950153890486
Energy: 2.0434049840691473
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Energy: 2.0434049840731845
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Energy: 1.9580410155475538
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Energy: 2.042744466317204
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Energy: 2.0427444663212415
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Energy: 2.094878780063564
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Energy: 1.9700168060049443
Energy: 2.0948787800595268
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Energy: 2.0215385402988924
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Energy: 1.9955766345501003
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Energy: 2.0849562717591836
Energy: 2.0913647480992563
Energy: 2.0849562717591836
Energy: 2.0913647480952187
Energy: 2.0849562717591836
Energy: 2.0913647480992563
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Energy: 1.920154209412472
Energy: 2.012788746100662
Energy: 1.920154209412472
Energy: 2.0127887460966254
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Energy: 2.0275826580442473
Energy: 1.9685615873492281
Energy: 2.0275826580402105
Energy: 1.968561587345191
Energy: 2.0275826580442473
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Energy: 2.0275826580402105
Energy: 2.0198364921347056
Energy: 1.98156539597541
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Energy: 1.9087985249606567
Energy: 1.9612410765627506
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Energy: 1.9474412784161756
Energy: 1.8925706323653142
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Energy: 1.8925706323693514
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Energy: 1.9610277699591647
Energy: 2.011313272444832
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Energy: 2.0113132724407947
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Energy: 2.011313272444832
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Energy: 1.963951426920785
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Energy: 2.0145541775200346
Energy: 2.072985084553365
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Energy: 2.072985084557402
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Energy: 2.163876603238543
Energy: 2.1347871813609585
Energy: 2.16387660324258
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Energy: 2.163876603238543
Energy: 2.1347871813609585
Energy: 2.163876603238543
Energy: 1.9047217481789258
Energy: 2.0527957602206923
Energy: 1.9047217481748884
Energy: 2.0527957602206923
Energy: 1.9047217481789258
Energy: 2.0527957602206923
Energy: 1.9047217481748884
Energy: 2.1300754761370815
Energy: 2.0471929979015333
Energy: 2.1300754761370815
Energy: 2.0471929979015333
Energy: 2.1300754761370815
Energy: 2.0471929979015333
Energy: 2.1300754761370815
Energy: 1.9022425806553207
Energy: 1.9657422046633217
Energy: 1.9022425806553207
Energy: 1.9657422046633217
Energy: 1.9022425806553207
Energy: 1.9657422046633217
Energy: 1.9022425806512835
Energy: 2.025874988644873
Energy: 2.107479800340402
Energy: 2.025874988640836
Energy: 2.107479800340402
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Energy: 2.107479800340402
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Energy: 1.9654248046668625
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Energy: 1.9654248046910863
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Energy: 2.058480030247182
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Energy: 2.058480030247182
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Energy: 2.058480030247182
Energy: 1.9225310756126235
Energy: 1.9528726017489506
Energy: 1.9225310756166607
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Energy: 1.9225310756126235
Energy: 1.9528726017489506
Energy: 1.9225310756126235
Energy: 1.9029756008499867
Energy: 2.0573476223357425
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Energy: 2.0573476223357425
Energy: 1.9029756008499867
Energy: 2.0573476223357425
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Energy: 1.9385519885718636
Energy: 2.0447790005375244
Energy: 1.9385519885718636
Energy: 2.0447790005335604
Energy: 1.9385519885718636
Energy: 2.0447790005375244
Energy: 1.9385519885718636
Energy: 2.0214042870482722
Energy: 2.0447309657478394
Energy: 2.021404287044235
Energy: 2.044730965743802
Energy: 2.0214042870482722
Energy: 2.044730965743802
Energy: 2.021404287044235
Energy: 2.16043001125719
Energy: 2.134786966543637
Energy: 2.1604300112612274
Energy: 2.134786966543637
Energy: 2.16043001125719
Energy: 2.134786966543637
Energy: 2.16043001125719
Energy: 1.9570418414836102
Energy: 2.0461254672410027
Energy: 1.9570418414836102
Energy: 2.046125467236965
Energy: 1.9570418414836102
Energy: 2.0461254672410027
Energy: 1.9570418414836102
Energy: 1.9722867558988215
Energy: 2.040626037923676
Energy: 1.9722867558988215
Energy: 2.040626037923676
Energy: 1.9722867559028585
Energy: 2.040626037923676
Energy: 1.9722867559028585
Energy: 1.905291237229262
Energy: 1.925361594999089
Energy: 1.905291237229262
Energy: 1.925361595003126
Energy: 1.9052912372332995
Energy: 1.925361594999089
Energy: 1.905291237229262
Energy: 2.096141522111278
Energy: 1.9987860764492729
Energy: 2.096141522115315
Energy: 1.9987860764492729
Energy: 2.096141522111278
Energy: 1.9987860764533103
Energy: 2.096141522115315
Energy: 1.9953352058056828
Energy: 1.9878891349811691
Energy: 1.9953352058056828
Energy: 1.9878891349811691
Energy: 1.9953352058056828
Energy: 1.9878891349811691
Energy: 1.9953352058056828
Energy: 2.0854932699421127
Energy: 2.0577277142574806
Energy: 2.08549326994615
Energy: 2.057727714261518
Energy: 2.0854932699421127
Energy: 2.0577277142574806
Energy: 2.08549326994615
Energy: 1.9337737656180893
Energy: 2.0076119473358083
Energy: 1.9337737656180893
Energy: 2.007611947331771
Energy: 1.9337737656180893
Energy: 2.007611947331771
Energy: 1.9337737656180893
Energy: 1.9028639943718184
Energy: 2.0254211132019164
Energy: 1.9028639943718184
Energy: 2.025421113205954
Energy: 1.9028639943718184
Energy: 2.0254211132019164
Energy: 1.9028639943718184
Energy: 1.9166579964844068
Energy: 2.028636631844924
Energy: 1.9166579964844068
Energy: 2.028636631844924
Energy: 1.9166579964844068
Energy: 2.028636631840887
Energy: 1.9166579964844068
Energy: 1.9364102580661697
Energy: 2.0017195923642306
Energy: 1.9364102580661697
Energy: 2.0017195923642306
Energy: 1.9364102580661697
Energy: 2.0017195923642306
Energy: 1.9364102580661697

minimum gb energy = 1.8925706323653142 eV
minimum distance =  2.48239912801916 Angstroms
sigma value = 401


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

Energy: 2.1323946401597524
Energy: 2.1734884257371574
Energy: 2.132394640157003
Energy: 2.1734884257389906
Energy: 2.132394640159336
Energy: 2.173488425740824
Energy: 2.1323946401579197
Energy: 1.9639398932536807
Energy: 1.9923082457762407
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Energy: 1.992308245774824
Energy: 1.9639398932550138
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Energy: 1.9417710015231469
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Energy: 2.079718667551783
Energy: 1.9593690775460897
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Energy: 2.063760495565684
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Energy: 2.0637604955647673
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Energy: 2.092861273785417
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Energy: 1.9838775762959517
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Energy: 2.1323946401615856
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Energy: 2.151284332357761
Energy: 1.9094412358223003
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Energy: 1.9777726869007066
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Energy: 2.004908041384929
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Energy: 2.004908041387262
Energy: 1.9777726869002066
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Energy: 2.023770891123054
Energy: 2.0170156181677528
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Energy: 2.1734884257399067
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Energy: 1.9923082457771573
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Energy: 1.9923082457762407
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Energy: 1.9417710015222298
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Energy: 1.9692118869804582
Energy: 1.9417710015231469
Energy: 1.9692118869772086
Energy: 1.9593690775438397
Energy: 2.0797186675503667
Energy: 1.959369077545173
Energy: 2.079718667551783
Energy: 1.9593690775465895
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Energy: 2.005426701577529
Energy: 2.0637604955647673
Energy: 2.005426701577529
Energy: 2.063760495565684
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Energy: 2.063760495565684
Energy: 2.0054267015780285
Energy: 2.0609438294718383
Energy: 2.092861273785417
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Energy: 2.060943829473672
Energy: 2.09286127378725
Energy: 2.060943829471422
Energy: 2.036415314004529
Energy: 2.092899990510743
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Energy: 2.036415314002279
Energy: 2.092899990512159
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Energy: 1.9838775762941185
Energy: 2.064247068568839
Energy: 1.9838775762922856
Energy: 2.064247068567423
Energy: 1.9838775762937022
Energy: 2.064247068570172
Energy: 1.9838775762909524
Energy: 1.9916891921215079
Energy: 2.0641393302886724
Energy: 1.9916891921205913
Energy: 2.064139330288256
Energy: 1.9916891921183417
Energy: 2.0641393302877558
Energy: 1.9916891921205913
Energy: 1.958284670992665
Energy: 2.094227691426809
Energy: 1.9582846709904151
Energy: 2.094227691426809
Energy: 1.9582846709908321
Energy: 2.094227691426809
Energy: 1.9582846709922486
Energy: 1.9094412358227166
Energy: 2.1512843323572604
Energy: 1.9094412358208839
Energy: 2.1512843323554276
Energy: 1.9094412358232167
Energy: 2.151284332357761
Energy: 1.9094412358232167
Energy: 1.9777726869007066
Energy: 2.0049080413863454
Energy: 1.9777726868992902
Energy: 2.004908041384929
Energy: 1.9777726869002066
Energy: 2.0049080413885956
Energy: 1.9777726868997902
Energy: 2.0170156181650034
Energy: 2.0237708911221373
Energy: 2.017015618167336
Energy: 2.023770891120804
Energy: 2.017015618166836
Energy: 2.023770891118971
Energy: 2.0170156181677528
Energy: 2.1323946401602525
Energy: 2.173488425736741
Energy: 2.1323946401606686
Energy: 2.1734884257394906
Energy: 2.1323946401625022
Energy: 2.173488425740407
Energy: 2.1323946401615856
Energy: 1.9639398932536807
Energy: 1.9923082457775736
Energy: 1.9639398932555139
Energy: 1.9923082457757406
Energy: 1.9639398932550138
Energy: 1.9923082457775736
Energy: 1.9639398932540975

minimum gb energy = 1.9094412358208839 eV
minimum distance =  2.51280456146374 Angstroms
sigma value = 311


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

Energy: 2.092292694338513
Energy: 2.1846610462381864
Energy: 1.9971800091610734
Energy: 2.063296131154214
Energy: 2.092292694338513
Energy: 2.184661046238715
Energy: 1.9971800091610734
Energy: 2.0546709904031384
Energy: 2.030700213559105
Energy: 2.0602589760192416
Energy: 2.031734211124814
Energy: 2.0546709904026095
Energy: 2.030700213558576
Energy: 2.0602589760203003
Energy: 2.0337902577605966
Energy: 2.076619174088773
Energy: 2.035493837703577
Energy: 2.0766598999055113
Energy: 2.0337902577616545
Energy: 2.0766191740893025
Energy: 2.0354938377041063
Energy: 2.1586199291832555
Energy: 2.1153846378782717
Energy: 2.0980716581295
Energy: 2.1153846378782717
Energy: 2.1586199291837844
Energy: 2.1153846378772134
Energy: 2.0980716581305585
Energy: 2.1345809793451713
Energy: 2.1160077767735497
Energy: 2.134287431518447
Energy: 2.1160077767730203
Energy: 2.1345809793451713
Energy: 2.1160077767735497
Energy: 2.134287431518447
Energy: 1.98295547349725
Energy: 2.228702501903298
Energy: 1.98295547349725
Energy: 2.2170677909335805
Energy: 1.98295547349725
Energy: 2.228702501902769
Energy: 1.98295547349725
Energy: 1.953049652352068
Energy: 2.169015841254229
Energy: 1.9530496523515384
Energy: 2.172412035480415
Energy: 1.953049652352068
Energy: 2.1690158412536995
Energy: 1.953049652352068
Energy: 2.2374296387007937
Energy: 2.1344590993131147
Energy: 2.2374296387007937
Energy: 2.134459099312585
Energy: 2.2374296387007937
Energy: 2.134459099312585
Energy: 2.2374296387018515
Energy: 2.299603007505896
Energy: 2.122726162900048
Energy: 2.2996030075048384
Energy: 2.122726162900577
Energy: 2.299603007506426
Energy: 2.122726162900048
Energy: 2.299603007505896
Energy: 2.0310907620916914
Energy: 2.193308896418905
Energy: 2.0310892962526785
Energy: 2.1925824637457474
Energy: 2.0310907620906327
Energy: 2.1933088964194343
Energy: 2.0310892962521496
Energy: 2.0260599487323985
Energy: 2.2021832041178477
Energy: 2.025618507715992
Energy: 2.206328116357762
Energy: 2.0260599487318696
Energy: 2.2021832041173184
Energy: 2.025618507715992
Energy: 2.164135094012492
Energy: 2.0661962742175386
Energy: 2.164135094013021
Energy: 2.06619627421648
Energy: 2.16413509401355
Energy: 2.0661962742175386
Energy: 2.16413509401355
Energy: 2.1515683049565135
Energy: 2.0655998119944114
Energy: 2.1515683049565135
Energy: 2.065599811994941
Energy: 2.1515683049565135
Energy: 2.0655998119938825
Energy: 2.1515683049554553
Energy: 1.9951966609807652
Energy: 2.009555036588189
Energy: 1.9951966609807652
Energy: 2.009555036588189
Energy: 1.995196660980236
Energy: 2.0095550365876598
Energy: 1.995196660980236
Energy: 2.0912389790812083
Energy: 2.168799640368814
Energy: 2.0912389790822665
Energy: 2.1688150804536717
Energy: 2.0912389790812083
Energy: 2.168799640368814
Energy: 2.0912389790812083
Energy: 2.005599584892824
Energy: 2.0744983359716067
Energy: 2.005599584892824
Energy: 2.0744983359721356
Energy: 2.0055995848933534
Energy: 2.074498335970548
Energy: 2.0055995848933534
Energy: 2.044509117547636
Energy: 2.0265182641545936
Energy: 2.0445091175481656
Energy: 2.0261444054620257
Energy: 2.0445091175465784
Energy: 2.026518264154064
Energy: 2.044509117547636
Energy: 2.0526610725378034
Energy: 2.0839566119455712
Energy: 2.0523297860046585
Energy: 2.090766840388437
Energy: 2.052661072538332
Energy: 2.0839566119466295
Energy: 2.0523297860041296
Energy: 2.1125714649900345
Energy: 2.2521005849697104
Energy: 2.1872646707918966
Energy: 2.2573845565348516
Energy: 2.119950857173504
Energy: 2.2521005849697104
Energy: 2.119950857172975
Energy: 2.096628952948174
Energy: 2.214397368137219
Energy: 2.096628952948703
Energy: 2.211536661320499
Energy: 2.0966289529476447
Energy: 2.2143973681366904
Energy: 2.096628952948174
Energy: 1.9743727726741247
Energy: 1.9918572374755033
Energy: 1.9743727726741247
Energy: 1.991857237474974
Energy: 1.9743727726735951
Energy: 1.991857237474445
Energy: 1.9743727726741247
Energy: 1.992960029154876
Energy: 2.0686100222810104
Energy: 1.9929600291538176
Energy: 2.0686100222820687
Energy: 1.9929600291543466
Energy: 2.068610022282598
Energy: 1.992960029155405
Energy: 2.1437540445816556
Energy: 2.0753233088881275
Energy: 2.052469700128077
Energy: 2.0474677331718585
Energy: 2.1437540445821845
Energy: 2.0753233088886565
Energy: 2.0524697001275483
Energy: 2.2266615045775757
Energy: 2.1856029955229275
Energy: 2.1414692971487135
Energy: 2.141674631915923
Energy: 2.2266615045781055
Energy: 2.185602995521869
Energy: 2.1414692971487135
Energy: 2.0786784021869056
Energy: 2.0395915635342723
Energy: 2.0785397668480954
Energy: 2.038859839947276
Energy: 2.0786784021869056
Energy: 2.0395915635342723
Energy: 2.0785397668475665
Energy: 2.210678948139481
Energy: 2.050696804895461
Energy: 2.2109785220525366
Energy: 2.063090445830263
Energy: 2.21067894814001
Energy: 2.050696804895461
Energy: 2.210978522053066
Energy: 2.1197540754962154
Energy: 2.1163106341285514
Energy: 2.119844111205158
Energy: 2.1163106341296096
Energy: 2.119754075495686
Energy: 2.1163106341285514
Energy: 2.119844111205158
Energy: 2.083164854879627
Energy: 2.2042654476945756
Energy: 2.083164854879627
Energy: 2.200605850290888
Energy: 2.0831648548790973
Energy: 2.204265447695634
Energy: 2.083164854879627
Energy: 2.010671341574825
Energy: 2.005175782615669
Energy: 2.0106713415753545
Energy: 2.005175782615669
Energy: 2.010671341574825
Energy: 2.0051757826151397
Energy: 2.010671341574825
Energy: 2.2162396745787825
Energy: 2.1323835202793533
Energy: 2.2162396745782527
Energy: 2.1323835202798826
Energy: 2.2162396745787825
Energy: 2.1323835202798826
Energy: 2.2162396745787825
Energy: 2.247430537763488
Energy: 2.120715509773946
Energy: 2.247430537763488
Energy: 2.120715509773416
Energy: 2.2474305377629586
Energy: 2.120715509773946
Energy: 2.247430537763488
Energy: 2.043753680066746
Energy: 2.2145350828676693
Energy: 2.0436817162858634
Energy: 2.1855682650027193
Energy: 2.043753680065688
Energy: 2.2145350828660817
Energy: 2.0436817162863927
Energy: 2.038065686511172
Energy: 2.0750222588836484
Energy: 2.038072011054417
Energy: 2.0752422576963587
Energy: 2.038065686511172
Energy: 2.0750222588841774
Energy: 2.038072011053359
Energy: 2.1688504378620146
Energy: 2.2140710738080553
Energy: 2.1688504378620146
Energy: 2.214071073807526
Energy: 2.168850437862544
Energy: 2.214071073807526
Energy: 2.168850437862544
Energy: 2.208616516450397
Energy: 2.1854182932672868
Energy: 2.208707124486722
Energy: 2.185424718211184
Energy: 2.208616516450397
Energy: 2.1854182932672868
Energy: 2.2087071244856635
Energy: 1.9768037830051064
Energy: 2.003072644701083
Energy: 1.9768037830045773
Energy: 2.003072644701083
Energy: 1.9768037830040481
Energy: 2.003072644701083
Energy: 1.9768037830040481

minimum gb energy = 1.9530496523515384 eV
minimum distance =  2.46808555681436 Angstroms
sigma value = 39


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

Energy: 1.9927053733010902
Energy: 2.064550755465173
Energy: 1.9927053732998412
Energy: 2.0645507554657976
Energy: 1.9927053733010902
Energy: 2.064550755464549
Energy: 1.992705373300466
Energy: 1.9313375503607406
Energy: 1.8721040686950237
Energy: 1.9313375503607406
Energy: 1.8721040686943993
Energy: 1.9313375503601158
Energy: 1.8721040686943993
Energy: 1.9313375503607406
Energy: 1.9697415778893712
Energy: 1.9034089550682818
Energy: 1.9697415778893712
Energy: 1.9034089550670328
Energy: 1.9697415778893712
Energy: 1.9034089550670328
Energy: 1.9697415778893712
Energy: 2.1443533995048205
Energy: 1.8528883828267888
Energy: 2.1443533995054453
Energy: 1.8528883828261644
Energy: 2.1443533995048205
Energy: 1.8528883828267888
Energy: 2.1443533995035717
Energy: 1.9435967919401864
Energy: 1.894967404284056
Energy: 1.9435967919401864
Energy: 1.8949674042846807
Energy: 1.9435967919414354
Energy: 1.894967404284056
Energy: 1.9435967919420603
Energy: 2.011182253988274
Energy: 1.9084596598460812
Energy: 2.011182253988274
Energy: 1.9084596598460812
Energy: 2.011182253989523
Energy: 1.9084596598442072
Energy: 2.011182253988274
Energy: 2.185656646768024
Energy: 1.9681175927993804
Energy: 2.2357356658387855
Energy: 1.9681175928006296
Energy: 2.19314153228316
Energy: 1.9681175928000048
Energy: 2.1931415322837844
Energy: 2.0167011883460493
Energy: 1.9529569719959703
Energy: 2.0167011883472985
Energy: 1.9529569719959703
Energy: 2.0167011883466737
Energy: 1.9529569719940971
Energy: 2.016701188345425
Energy: 2.0277749721624208
Energy: 1.9526035446597216
Energy: 2.027774972164295
Energy: 1.952603544659097
Energy: 2.027774972164919
Energy: 1.9526035446584724
Energy: 2.027774972164919
Energy: 1.96369650351584
Energy: 2.035163516203332
Energy: 1.9636965035164644
Energy: 2.035163516203332
Energy: 1.9636965035164644
Energy: 2.0351635162027075
Energy: 1.96369650351584
Energy: 2.06582144407786
Energy: 1.9814705978418259
Energy: 1.9330019818531288
Energy: 1.9814705978405767
Energy: 1.9330019818518798
Energy: 1.9814705978424505
Energy: 1.9330019818537532
Energy: 1.9842368319765469
Energy: 1.8541026073897333
Energy: 1.9842368319752977
Energy: 1.854102607389109
Energy: 1.984236831975922
Energy: 1.8541026073897333
Energy: 1.9842368319765469
Energy: 1.9413867011295658
Energy: 1.8973878227674312
Energy: 1.9413867011283168
Energy: 1.8973878227668064
Energy: 1.9413867011295658
Energy: 1.897387822766182
Energy: 1.9413867011283168
Energy: 1.9692130524536622
Energy: 1.8537730619272352
Energy: 1.9692130524555358
Energy: 1.8537730619278596
Energy: 1.9692130524555358
Energy: 1.8537730619278596
Energy: 1.9692130524542868
Energy: 1.9808371277598065
Energy: 1.9548359261992365
Energy: 1.9808371277679253
Energy: 1.9548359262004855
Energy: 2.1619681963468875
Energy: 1.9548359262004855
Energy: 2.099549347678462
Energy: 1.96949787750687
Energy: 1.912994594853667
Energy: 1.9694978775056209
Energy: 1.9129945948530425
Energy: 1.969497877504996
Energy: 1.912994594853667
Energy: 1.9694978775062453
Energy: 2.0082550230711838
Energy: 1.9527075097498328
Energy: 2.0082550230711838
Energy: 1.9527075097510813
Energy: 2.0082550230711838
Energy: 1.9527075097510813
Energy: 2.0082550230711838
Energy: 2.06671832568452
Energy: 1.9500177224647186
Energy: 2.06671832568452
Energy: 1.9500177224647186
Energy: 2.06671832568452
Energy: 1.950017722465343
Energy: 2.06671832568452
Energy: 2.0428940253261167
Energy: 1.9643401094770232
Energy: 2.0428940260346087
Energy: 1.9643401094751498
Energy: 2.042894026447247
Energy: 1.9643401094707782
Energy: 2.0428940257287063
Energy: 1.9639950304979261
Energy: 2.029108938442671
Energy: 1.963995030499175
Energy: 2.0291089384432954
Energy: 1.9639950304979261
Energy: 2.029108938442671
Energy: 1.9639950304979261
Energy: 1.9887430056210678
Energy: 1.8532721807790324
Energy: 1.9887430056223168
Energy: 1.853272180778408
Energy: 1.9887430056223168
Energy: 1.8532721807802817
Energy: 1.9887430056210678
Energy: 2.01671515612704
Energy: 1.851316657064294
Energy: 2.016715156125166
Energy: 1.8513166570630448
Energy: 2.0167151561264154
Energy: 1.8513166570636692
Energy: 2.016715156125166
Energy: 2.0432276628005273
Energy: 1.9034356566718817
Energy: 2.0432276627886616
Energy: 1.9034356566718817
Energy: 2.0432276628136425
Energy: 1.9034356566725064
Energy: 2.0432276628123933
Energy: 1.9407968966217712
Energy: 1.8503083920150034
Energy: 1.9407968966223959
Energy: 1.8503083920137544
Energy: 1.9407968966217712
Energy: 1.85030839201313
Energy: 1.9407968966217712
Energy: 2.0178357926835915
Energy: 1.9153347529675069
Energy: 2.0178357926835915
Energy: 1.9153347529662577
Energy: 2.0178357926848403
Energy: 1.915334752966882
Energy: 2.0178357926835915
Energy: 2.0824831523801057
Energy: 1.9724105931838705
Energy: 2.0824831523801057
Energy: 1.9724105931838705
Energy: 2.0824831523801057
Energy: 1.9724105931826215
Energy: 2.0824831523801057
Energy: 2.0177794033585377
Energy: 1.9504434581989751
Energy: 2.0177794033585377
Energy: 1.9504434582002241
Energy: 2.0177794033579133
Energy: 1.9504434582002241
Energy: 2.0177794033579133
Energy: 1.9315501543458684
Energy: 1.9458610247161594
Energy: 1.9315501543439946
Energy: 1.9458610247180328
Energy: 1.9315501543439946
Energy: 1.9458610247161594
Energy: 1.9315501543446194
Energy: 1.9927053733010902
Energy: 2.0645507554657976
Energy: 1.992705373300466
Energy: 2.0645507554657976
Energy: 1.9927053733010902
Energy: 2.064550755464549
Energy: 1.992705373300466
Energy: 1.9313375503594914
Energy: 1.8721040686956485
Energy: 1.9313375503601158
Energy: 1.8721040686950237
Energy: 1.9313375503594914
Energy: 1.8721040686943993
Energy: 1.9313375503601158

minimum gb energy = 1.85030839201313 eV
minimum distance =  2.47683684531446 Angstroms
sigma value = 21


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

Energy: 1.8334136480711043
Energy: 1.9203571991174986
Energy: 1.8334136480711043
Energy: 1.9203571991174986
Energy: 1.8334136480703804
Energy: 1.9203571991174986
Energy: 1.8334136480718621
Energy: 1.736118946705945
Energy: 1.6983044945144192
Energy: 1.7361189467051867
Energy: 1.698304494513661
Energy: 1.736118946706703
Energy: 1.6983044945151775
Energy: 1.7361189467051867
Energy: 1.8060466694090533
Energy: 1.7760930945340856
Energy: 1.8060466694090533
Energy: 1.7760930945348437
Energy: 1.8060466694090533
Energy: 1.7760930945348437
Energy: 1.8060466694090533
Energy: 1.675798341500246
Energy: 1.6961087441604725
Energy: 1.675798341500246
Energy: 1.6961087441604725
Energy: 1.6757983415010043
Energy: 1.6961087441604725
Energy: 1.6757983415010043
Energy: 1.6377601544472875
Energy: 1.7351332016265353
Energy: 1.6377601544465292
Energy: 1.735133201625777
Energy: 1.6377601544472875
Energy: 1.7351332016265353
Energy: 1.6377601544465292
Energy: 1.668344226988844
Energy: 1.7084545283034305
Energy: 1.668344226988844
Energy: 1.7084545283026722
Energy: 1.6683442269880857
Energy: 1.7084545283034305
Energy: 1.668344226988844
Energy: 1.5973905435243654
Energy: 2.4057734985427275
Energy: 1.5973905435251232
Energy: 2.4057734985434855
Energy: 1.5973905435251232
Energy: 2.4057734985427275
Energy: 1.5973905435251232
Energy: 1.7221705955594435
Energy: 1.7026749605705815
Energy: 1.7221705955594435
Energy: 1.7026749605698233
Energy: 1.7221705955594435
Energy: 1.7026749605705815
Energy: 1.7221705955586852
Energy: 1.822094049203365
Energy: 1.6563492644519529
Energy: 1.822094049203365
Energy: 1.6563492644511948
Energy: 1.822094049203365
Energy: 1.6563492644511948
Energy: 1.822094049203365
Energy: 1.6848168994228918
Energy: 2.36802449887792
Energy: 1.6848168994228918
Energy: 2.368024498878678
Energy: 1.6848168994236499
Energy: 2.36802449887792
Energy: 1.6848168994228918
Energy: 1.5883640559953116
Energy: 1.7030174888589438
Energy: 1.58836405599607
Energy: 1.703017488859702
Energy: 1.5883640559953116
Energy: 1.703017488859702
Energy: 1.58836405599607
Energy: 1.6662426111505173
Energy: 1.7359755167807676
Energy: 1.6662426111497597
Energy: 1.7359755167815258
Energy: 1.6662426111505173
Energy: 1.7359755167807676
Energy: 1.6662426111505173
Energy: 1.7330738072494718
Energy: 1.6582951283834086
Energy: 1.7330738072487135
Energy: 1.6582951283826506
Energy: 1.7330738072494718
Energy: 1.6582951283826506
Energy: 1.7330738072494718
Energy: 1.7631682552963948
Energy: 2.4283210931482024
Energy: 1.7631682552963948
Energy: 2.4283210931482024
Energy: 1.7631682552963948
Energy: 2.4283210931474786
Energy: 1.7631682552963948
Energy: 1.7286952607097057
Energy: 1.712707053397556
Energy: 1.7286952607089476
Energy: 1.7127070533967979
Energy: 1.7286952607097057
Energy: 1.712707053397556
Energy: 1.7286952607097057
Energy: 1.8383680058762615
Energy: 1.8662889890891745
Energy: 1.8383680058755034
Energy: 1.8662889890891745
Energy: 1.8383680058770198
Energy: 1.8662889890884162
Energy: 1.8383680058770198
Energy: 1.7609727591198732
Energy: 1.693043557219108
Energy: 1.7609727591198732
Energy: 1.693043557219866
Energy: 1.7609727591198732
Energy: 1.693043557219108
Energy: 1.7609727591198732
Energy: 1.7881017061387907
Energy: 2.4284036585985573
Energy: 1.7881017061387907
Energy: 2.4284036585985573
Energy: 1.7881017061387907
Energy: 2.4284036585985573
Energy: 1.7881017061387907
Energy: 1.726370796645323
Energy: 1.712532865828453
Energy: 1.726370796645323
Energy: 1.7125328658292114
Energy: 1.726370796645323
Energy: 1.7125328658292114
Energy: 1.726370796645323
Energy: 1.6656536618201767
Energy: 1.649126604448301
Energy: 1.6656536618194187
Energy: 1.649126604447543
Energy: 1.6656536618201767
Energy: 1.649126604447543
Energy: 1.6656536618186604
Energy: 1.6708517141679355
Energy: 1.8154418518516169
Energy: 1.6708517141679355
Energy: 1.8154418518516169
Energy: 1.6708517141679355
Energy: 1.8154418518516169
Energy: 1.6708517141679355
Energy: 1.581897561307079
Energy: 2.4191343200388045
Energy: 1.5818975613063206
Energy: 2.4191343200395625
Energy: 1.581897561307079
Energy: 2.4191343200388045
Energy: 1.581897561307079
Energy: 1.7435163075958242
Energy: 1.7127615592734189
Energy: 1.743516307595066
Energy: 1.7127615592726606
Energy: 1.7435163075927915
Energy: 1.7127615592734189
Energy: 1.7435163075958242
Energy: 1.7894084570530464
Energy: 1.6490788428196423
Energy: 1.7894084570530464
Energy: 1.6490788428204
Energy: 1.7894084570538047
Energy: 1.6490788428196423
Energy: 1.7894084570530464
Energy: 1.6703047587485857
Energy: 1.8481085193663842
Energy: 1.6703047587478277
Energy: 1.8481085193663842
Energy: 1.6703047587485857
Energy: 1.8481085193663842
Energy: 1.6703047587485857

minimum gb energy = 1.5818975613063206 eV
minimum distance =  2.53105955434977 Angstroms
sigma value = 113


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

Energy: 1.5718717270767812
Energy: 1.6066147671439657
Energy: 1.571871727078089
Energy: 1.6066147671439657
Energy: 1.5718717270767812
Energy: 1.6066147671456583
Energy: 1.5718717270784737
Energy: 1.547633970396768
Energy: 1.4808909648633475
Energy: 1.547633970396768
Energy: 1.4808909648637318
Energy: 1.5476339703963833
Energy: 1.4808909648625013
Energy: 1.547633970396768
Energy: 1.5637597157106342
Energy: 1.5512270052392247
Energy: 1.5637597157080958
Energy: 1.5512270052396864
Energy: 1.563759715709788
Energy: 1.5512270052396864
Energy: 1.5637597157072496
Energy: 1.4795738129160643
Energy: 1.475568211370728
Energy: 1.4795738129165257
Energy: 1.475568211368651
Energy: 1.4795738129160643
Energy: 1.4755682113711899
Energy: 1.4795738129160643
Energy: 1.4821571713203685
Energy: 1.5775470885417235
Energy: 1.4821571713199067
Energy: 1.5775470885366458
Energy: 1.4821571713203685
Energy: 1.5775470885413387
Energy: 1.4821571713207529
Energy: 1.4723652376106064
Energy: 1.4934517456355068
Energy: 1.4723652376119143
Energy: 1.4934517456477385
Energy: 1.472365237610222
Energy: 1.4934517456401224
Energy: 1.4723652376119143
Energy: 1.4567027734049394
Energy: 1.5207840095672858
Energy: 1.4567027734083244
Energy: 1.5207840095702863
Energy: 1.456702773405324
Energy: 1.5207840095694398
Energy: 1.4567027734078628
Energy: 1.4673550991222157
Energy: 1.4344222046238846
Energy: 1.4673550991222157
Energy: 1.4344222046268078
Energy: 1.4673550991222157
Energy: 1.4344222046259616
Energy: 1.4673550991222157
Energy: 1.5177684685955284
Energy: 1.4772189533430176
Energy: 1.5177684685950668
Energy: 1.4772189533413251
Energy: 1.5177684685950668
Energy: 1.4772189533430176
Energy: 1.5177684685955284
Energy: 1.490901770392416
Energy: 1.4362561100533637
Energy: 1.4909017703928003
Energy: 1.436256110052056
Energy: 1.4909017703919543
Energy: 1.4362561100533637
Energy: 1.4909017703928003
Energy: 1.4207332802871333
Energy: 1.391298033966669
Energy: 1.4207332802859023
Energy: 1.3912980339678995
Energy: 1.4207332802862869
Energy: 1.3912980339700536
Energy: 1.420733280285056
Energy: 1.4237066240366618
Energy: 1.4564174175151605
Energy: 1.4237066240388159
Energy: 1.45641741751216
Energy: 1.4237066240366618
Energy: 1.4564174175138527
Energy: 1.4237066240379694
Energy: 1.361031912014311
Energy: 1.6186196576710057
Energy: 1.3610319120163883
Energy: 1.6186196576696978
Energy: 1.3610319120138497
Energy: 1.618619657652773
Energy: 1.36103191201685
Energy: 1.5018041926222545
Energy: 1.4343672596253385
Energy: 1.5018041926214083
Energy: 1.434367259628262
Energy: 1.5018041926226395
Energy: 1.4343672596240307
Energy: 1.501804192621793
Energy: 1.488680717767089
Energy: 1.3980789349048597
Energy: 1.488680717767089
Energy: 1.3980789348795495
Energy: 1.4886807177666272
Energy: 1.3980789348968587
Energy: 1.488680717767089
Energy: 1.4111512884150001
Energy: 1.789492549034436
Energy: 1.4111512884119999
Energy: 1.7894925490327436
Energy: 1.4111512884145387
Energy: 1.7894925490339746
Energy: 1.4111512884124615
Energy: 1.3609868918474255
Energy: 1.4494682251629345
Energy: 1.3609868918499641
Energy: 1.44946822516255
Energy: 1.3609868918469636
Energy: 1.4494682251629345
Energy: 1.360986891849118
Energy: 1.4199261863446195
Energy: 1.4454112623329947
Energy: 1.4199261863446195
Energy: 1.4454112623308406
Energy: 1.4199261863446195
Energy: 1.4454112623333792
Energy: 1.419926186343773
Energy: 1.4563724118137684
Energy: 1.4137255028005082
Energy: 1.4563724118124606
Energy: 1.4137255028030469
Energy: 1.4563724118137684
Energy: 1.4137255027979694
Energy: 1.4563724118129222
Energy: 1.4753082980160057
Energy: 1.6352127833935144
Energy: 1.4753082980172365
Energy: 1.635212783389745
Energy: 1.4753082980155443
Energy: 1.6352127833926684
Energy: 1.4753082980160057
Energy: 1.45553215169291
Energy: 1.4300731222768328
Energy: 1.4555321516933717
Energy: 1.4300731222772174
Energy: 1.4555321516946025
Energy: 1.4300731222772174
Energy: 1.4555321516912176
Energy: 1.4466829022270586
Energy: 1.4605629848933157
Energy: 1.446682902225366
Energy: 1.4605629847241455
Energy: 1.4466829022270586
Energy: 1.4605629847346848
Energy: 1.4466829022257508
Energy: 1.4535350758017545
Energy: 1.4033845843761668
Energy: 1.4535350758012928
Energy: 1.4033845843731663
Energy: 1.453535075803447
Energy: 1.40338458437232
Energy: 1.4535350758026007
Energy: 1.4080515860403802
Energy: 1.7228308143612152
Energy: 1.4080515860390725
Energy: 1.7228308143603688
Energy: 1.4080515860412264
Energy: 1.7228308143608306
Energy: 1.4080515860399185
Energy: 1.5906884020007677
Energy: 1.46171164613112
Energy: 1.5906884020024605
Energy: 1.4617116461307353
Energy: 1.590688402001614
Energy: 1.4617116461290431
Energy: 1.590688402001614
Energy: 1.525620450987628
Energy: 1.470513267523261
Energy: 1.5256204509897053
Energy: 1.4705132675241068
Energy: 1.525620450987628
Energy: 1.4705132675236454
Energy: 1.5256204509897053
Energy: 1.5496341891362992
Energy: 1.7019008508786082
Energy: 1.5496341891346066
Energy: 1.7019008508743771
Energy: 1.5496341891358376
Energy: 1.7019008508777622
Energy: 1.5496341891349914
Energy: 1.5110629030947873
Energy: 1.6965467685507634
Energy: 1.51106290309648
Energy: 1.6965467685486095
Energy: 1.511062903094403
Energy: 1.696546768547763
Energy: 1.5110629030977878
Energy: 1.6909860294007442
Energy: 1.500147545429789
Energy: 1.6909860294036676
Energy: 1.5001475454280966
Energy: 1.6909860294036676
Energy: 1.5001475454302509
Energy: 1.6909860294002823
Energy: 1.5319957972042906
Energy: 1.4705974818741556
Energy: 1.5319957972000593
Energy: 1.470597481877156
Energy: 1.5319957972055214
Energy: 1.4705974818733094
Energy: 1.531995797200906
Energy: 1.5157733585183826
Energy: 1.5131144263233591
Energy: 1.5157733585200752
Energy: 1.513114426320051
Energy: 1.515773358517921
Energy: 1.513114426322513
Energy: 1.5157733585200752
Energy: 1.4080304430960773
Energy: 1.6805434329580455
Energy: 1.4080304430956925
Energy: 1.6805434329558915
Energy: 1.4080304430960773
Energy: 1.6805434329584303
Energy: 1.4080304430956925
Energy: 1.606421918124244
Energy: 1.5108715550757017
Energy: 1.606421918126783
Energy: 1.5108715550769325
Energy: 1.6064219181237822
Energy: 1.5108715550786251
Energy: 1.606421918126783
Energy: 1.4127703113163022
Energy: 1.4443757320520372
Energy: 1.4127703113150716
Energy: 1.444375732049883
Energy: 1.4127703113163022
Energy: 1.444375732050729
Energy: 1.4127703113150716
Energy: 1.4640123472108115
Energy: 1.6396413272706987
Energy: 1.464012347211658
Energy: 1.6396413272715453
Energy: 1.464012347210427
Energy: 1.6396413272706987
Energy: 1.464012347211658
Energy: 1.4598691450259387
Energy: 1.6154819670348026
Energy: 1.4598691450237848
Energy: 1.6154819670356488
Energy: 1.459869145025477
Energy: 1.6154819670373413
Energy: 1.459869145024246
Energy: 1.6587576843036183
Energy: 1.439650898910013
Energy: 1.6587576843053107
Energy: 1.4396508989096282
Energy: 1.6587576843036183
Energy: 1.439650898910859
Energy: 1.6587576843056955
Energy: 1.4116861794330475
Energy: 1.3965703305112624
Energy: 1.4116861794338935
Energy: 1.3965703305112624
Energy: 1.4116861794326627
Energy: 1.3965703305112624
Energy: 1.411686179433509
Energy: 1.4156060838761784
Energy: 1.4213730011441763
Energy: 1.4156060838783326
Energy: 1.4213730011471766
Energy: 1.4156060838757938
Energy: 1.4213730011437915
Energy: 1.4156060838783326
Energy: 1.3607358319141125
Energy: 1.4126823724166706
Energy: 1.3607358319183436
Energy: 1.4126823724132855
Energy: 1.3607358319128047
Energy: 1.4126823724154396
Energy: 1.3607358319183436
Energy: 1.4384556271335482
Energy: 1.4583774875691906
Energy: 1.4384556271352407
Energy: 1.458377487567498
Energy: 1.4384556271340099
Energy: 1.4583774875688058
Energy: 1.4384556271357023
Energy: 1.444306960292643
Energy: 1.4006022558219702
Energy: 1.4443069602931047
Energy: 1.4006022557221145
Energy: 1.4443069602922582
Energy: 1.4006022558219702
Energy: 1.4443069602931047
Energy: 1.4172357262069448
Energy: 1.8217775151503484
Energy: 1.4172357262069448
Energy: 1.821777515147425
Energy: 1.4172357262064834
Energy: 1.8217775151499636
Energy: 1.4172357262069448
Energy: 1.360573498530811
Energy: 1.4248620795276448
Energy: 1.3605734985325038
Energy: 1.4248620795255678
Energy: 1.360573498530811
Energy: 1.424862079522183
Energy: 1.36057349853335
Energy: 1.412158962755512
Energy: 1.4433614775969363
Energy: 1.4121589627551274
Energy: 1.4433614775952437
Energy: 1.4121589627546658
Energy: 1.4433614775977825
Energy: 1.4121589627551274

minimum gb energy = 1.360573498530811 eV
minimum distance =  2.5155104254288 Angstroms
sigma value = 365


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

Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 3.0362427247818258
Energy: 1.6713458810840827
Energy: 3.0362719430784972
Energy: 1.6713458810831288
Energy: 3.0363450914497405
Energy: 1.6713458810831288
Energy: 3.0361382116707962
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.48047330777659336
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 3.3419080311924843
Energy: 1.6713458810840827
Energy: 3.3421996394871347
Energy: 1.6713458810831288
Energy: 3.0358918285361076
Energy: 1.6713458810840827
Energy: 3.036019795945009
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 3.341959051163367
Energy: 1.6713458810831288
Energy: 3.3423035337158593
Energy: 1.6713458810831288
Energy: 3.0358595671926447
Energy: 1.6713458810831288
Energy: 3.035863391646686
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 3.0364195586335962
Energy: 1.6713458810831288
Energy: 3.0363859513480835
Energy: 1.6713458810831288
Energy: 3.036424969901067
Energy: 1.6713458810831288
Energy: 3.0364641414749065
Energy: 0.48047330777659336
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.48047330777659336
Energy: 0.5843713174569751
Energy: 0.48047330777659336
Energy: 3.035936071406478
Energy: 1.6713458810831288
Energy: 3.035880482777048
Energy: 1.6713458810831288
Energy: 3.0358558216601113
Energy: 1.6713458810821746
Energy: 3.035879468743738
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 3.036464259572018
Energy: 1.6713458810831288
Energy: 3.036553206481744
Energy: 1.6713458810840827
Energy: 3.0362886482662983
Energy: 1.6713458810831288
Energy: 3.036581151251822
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 3.0363162330503846
Energy: 1.6713458810831288
Energy: 3.0364389953540085
Energy: 1.6713458810831288
Energy: 3.036469320596903
Energy: 1.6713458810831288
Energy: 3.0365083375307336
Energy: 0.48047330777659336
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.48047330777659336
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 3.036684715107965
Energy: 1.6713458810831288
Energy: 3.0367497506863947
Energy: 1.6713458810831288
Energy: 3.0365492557223894
Energy: 1.6713458810831288
Energy: 3.036575993926985
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 3.0364632324903496
Energy: 1.6713458810831288
Energy: 3.0364758184627827
Energy: 1.6713458810831288
Energy: 3.03648543429305
Energy: 1.6713458810831288
Energy: 3.036489592221517
Energy: 0.4804733077756394
Energy: 0.5843713174579289
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 0.5843713174569751
Energy: 0.4804733077756394
Energy: 3.0363497798674812
Energy: 1.6713458810840827
Energy: 3.0363505954613585
Energy: 1.6713458810831288
Energy: 3.0363460627669054
Energy: 1.6713458810840827
Energy: 3.036343585375312

minimum gb energy = 0.4804733077756394 eV
minimum distance =  2.49632629928792 Angstroms
sigma value = 23