Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.620000004768371
cohesive_energy=3.540278409563981
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.015441579317143314
Energy: 0.3101446901761479
Energy: 0.3101446901761479
Energy: 0.015441579317143314
Energy: 0.3101446901761479
Energy: 0.3101446901761479
Energy: 0.015441579317143314
Energy: 0.3101446901761479
Energy: 0.3101446901761479
Energy: 0.015441579317143314
Energy: 0.30780884258099034
Energy: 0.018083985336908186
Energy: 0.30844927587310106
Energy: 0.30780884258099034
Energy: 0.018083985336908186
Energy: 0.3084492758745426
Energy: 0.30780884258099034
Energy: 0.018083985336908186
Energy: 0.3084492758745426
Energy: 0.30780884258099034
Energy: 0.9625077272140407
Energy: 0.01576963167219352
Energy: 0.01576963167219352
Energy: 0.9625077272140407
Energy: 0.01576963167219352
Energy: 0.01576963167219352
Energy: 0.9625077272140407
Energy: 0.01576963167219352
Energy: 0.01576963167219352
Energy: 0.9625077272140407
Energy: 0.30780884258099034
Energy: 0.3084492758745426
Energy: 0.01808398533834971
Energy: 0.30780884258099034
Energy: 0.30844927587310106
Energy: 0.018083985336908186
Energy: 0.30780884258099034
Energy: 0.30844927587310106
Energy: 0.018083985336908186
Energy: 0.30780884258099034
Energy: 0.015441579317143314
Energy: 0.3101446901761479
Energy: 0.3101446901761479
Energy: 0.015441579317143314
Energy: 0.3101446901761479
Energy: 0.3101446901761479
Energy: 0.015441579317143314
Energy: 0.3101446901761479
Energy: 0.3101446901761479
Energy: 0.015441579317143314
Energy: 0.30780884258099034
Energy: 0.018083985336908186
Energy: 0.30844927587310106
Energy: 0.30780884258099034
Energy: 0.01808398533834971
Energy: 0.30844927587310106
Energy: 0.30780884258099034
Energy: 0.018083985336908186
Energy: 0.30844927587310106
Energy: 0.30780884258099034
Energy: 1.2750063204369142
Energy: 0.01576963167219352
Energy: 0.1746175038450412
Energy: 1.2750063204369142
Energy: 0.01576963167219352
Energy: 0.1746175038450412
Energy: 1.2750063204369142
Energy: 0.01576963167219352
Energy: 0.1746175038450412
Energy: 1.2750063204369142

minimum gb energy = 0.015441579317143314 eV
minimum distance =  2.30808903817952 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.0612742822885526
Energy: 0.9869007495054949
Energy: 0.7942993948716276
Energy: 1.061274282287461
Energy: 0.9869007495040827
Energy: 0.8580240552687343
Energy: 1.0612742822850214
Energy: 0.9869007495044037
Energy: 0.7942993948720128
Energy: 0.9375663556004539
Energy: 0.8232844925151801
Energy: 0.9668505697633145
Energy: 0.9375663555993624
Energy: 0.8232844925162073
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Energy: 1.008556031342207
Energy: 1.0063324370596898
Energy: 0.8665268763346955
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Energy: 1.0063324370575712
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Energy: 1.008556031341501
Energy: 1.0063324370593687
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Energy: 0.9850872583966901
Energy: 0.9874513634025556
Energy: 0.7947910032748792
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Energy: 0.9874513634004369
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Energy: 1.0017226602312788
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Energy: 0.8927059395763297
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Energy: 0.8180624468579586
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Energy: 0.9850103651584675
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Energy: 0.7947590892910202
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Energy: 0.9534229315035182
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Energy: 0.8234430100764049
Energy: 0.9534229315101951
Energy: 0.9378351115126552
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Energy: 1.1153343811454268
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Energy: 0.9865938953037714
Energy: 1.0411748746151577
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Energy: 1.0411748746126541
Energy: 0.8205305884873652
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Energy: 0.821292430543533
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Energy: 0.7597057570104593
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Energy: 0.97756591598625
Energy: 0.7597057570093679
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Energy: 1.0835080342759886
Energy: 0.9775659159851585
Energy: 0.7597057570111656
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Energy: 0.9809510984810024
Energy: 0.9720306437563372
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Energy: 0.9809510985864827
Energy: 0.9720306442211438
Energy: 0.7947585432802802
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Energy: 1.059740888643973
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Energy: 1.0597408886428819
Energy: 0.9353508497067459
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Energy: 0.86030987998572
Energy: 0.9443392480015966
Energy: 0.823612695010767
Energy: 0.8603098799850137
Energy: 0.944339248002303
Energy: 0.8235232745055882
Energy: 0.8603098799839866
Energy: 0.9443392480026881
Energy: 0.823612695011088
Energy: 0.8603098799846928
Energy: 0.8374298956924128
Energy: 1.0612742822881673
Energy: 0.9869007495062012
Energy: 0.7942993948716276
Energy: 1.061274282287461
Energy: 0.9869007495047887
Energy: 0.8374298956931189
Energy: 1.0612742822853425
Energy: 0.9869007495029911
Energy: 0.7942993948720128
Energy: 0.9375663555993624
Energy: 0.8232844925151801
Energy: 0.9668505697633145
Energy: 0.9375663556007748
Energy: 0.8232844925158864
Energy: 0.9668505697644061
Energy: 0.9375663555983353
Energy: 0.8232844925183259
Energy: 0.9668505697651123
Energy: 0.9375663555983353
Energy: 0.9539374131318639
Energy: 1.0085560313425284
Energy: 1.0063324370593687
Energy: 0.9364081644295525
Energy: 1.0085560313400885
Energy: 1.0063324370596898
Energy: 0.9539374131346887
Energy: 1.0085560313411157
Energy: 1.0063324370603959
Energy: 0.9364081644313501
Energy: 0.9850872583966901
Energy: 0.9874513633958146
Energy: 0.7947910032748792
Energy: 0.9850872583966901
Energy: 0.9874513633961998
Energy: 0.7947910032748792
Energy: 0.9850872583966901
Energy: 0.9874513633944664
Energy: 0.7947910032745582
Energy: 0.9850872583966901

minimum gb energy = 0.7596235227055914 eV
minimum distance =  2.2527754517933 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.8124469280720344
Energy: 0.8185756035364254
Energy: 0.9964997650436956
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minimum gb energy = 0.8118497176543301 eV
minimum distance =  2.23965274515947 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.0245641642288608
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Energy: 0.9119897094428162
Energy: 1.0476858325352632
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Energy: 1.0246640289854498
Energy: 0.9193436731722324
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Energy: 0.9698892994567513
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Energy: 1.0080102176225132
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Energy: 0.9997217953648083
Energy: 0.9483567912640776
Energy: 0.9824953464378499
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Energy: 0.959796578474424
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Energy: 0.9662585554856183
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Energy: 0.967563077169069
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Energy: 0.9861957689454227
Energy: 0.9675630771694576
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Energy: 0.986195768945246
Energy: 0.9675630771694576
Energy: 0.941601691318619
Energy: 1.0055718650316987
Energy: 0.9748168169638207
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Energy: 1.0055718650313101
Energy: 0.9748168169638207
Energy: 0.9416016913182303
Energy: 1.0055718650313101
Energy: 0.9748168169634319
Energy: 0.9416016913182303
Energy: 0.9417190918520513
Energy: 0.9628772129881142
Energy: 0.9504357012720889
Energy: 0.9417190918520513
Energy: 0.962877212988503
Energy: 0.9504357012718768
Energy: 0.9417190918520513
Energy: 0.962877212988291
Energy: 0.9504357012724776
Energy: 0.9417190918520513
Energy: 1.0772489462019434
Energy: 0.9620102124432008
Energy: 1.0100626134875776
Energy: 1.0772489462017667
Energy: 0.9620102124432008
Energy: 1.0100626134871888
Energy: 1.0772489462019434
Energy: 0.9620102124432008
Energy: 1.0100626134868
Energy: 1.0772489462015549
Energy: 0.9682103498133552
Energy: 0.9474812161520427
Energy: 0.9089398495687161
Energy: 0.9682103498139205
Energy: 0.9474812161522195
Energy: 0.9089398495683273
Energy: 0.9682103498135319
Energy: 0.9474812161518307
Energy: 0.9089398495683273
Energy: 0.968210349813744
Energy: 0.966340985093429
Energy: 0.9488471906587351
Energy: 0.945589667515673
Energy: 0.9663409850936058
Energy: 0.9488471906577458
Energy: 0.9455896675152842
Energy: 0.966340985093217
Energy: 0.948847190658912
Energy: 0.9455896675158496
Energy: 0.9663409850930402
Energy: 1.019616298730522
Energy: 0.9277770440699287
Energy: 0.957898404640736
Energy: 1.0196162987297448
Energy: 0.9277770440697519
Energy: 0.9578984046345158
Energy: 1.0196162987301332
Energy: 0.9277770440705295
Energy: 0.9578984046362476
Energy: 1.01961629873031
Energy: 0.990651957547841
Energy: 0.9172628777905464
Energy: 1.0254731415036655
Energy: 0.9906519575470634
Energy: 0.9172628777907584
Energy: 1.0254731415036655
Energy: 0.9906519575476288
Energy: 0.9172628777905464
Energy: 1.0254731415036655
Energy: 0.9906519575476288

minimum gb energy = 0.8857462302135902 eV
minimum distance =  2.23691804173128 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.8666208667925185
Energy: 0.9533795220592223
Energy: 0.9523270095546675
Energy: 0.8666208667918512
Energy: 0.9533795220598895
Energy: 0.9523270095646468
Energy: 0.8666208667925185
Energy: 0.9533795220592223
Energy: 0.9523270104491148
Energy: 0.8666208667925185
Energy: 0.9545083024076259
Energy: 0.86380054457655
Energy: 0.9772245412411852
Energy: 0.9545083024076259
Energy: 0.86380054457655
Energy: 0.9772245412425198
Energy: 0.9545083024082932
Energy: 0.86380054457655
Energy: 0.9772245412431869
Energy: 0.9545083024082932
Energy: 0.9046605228600308
Energy: 0.9249355325486848
Energy: 0.85141200747679
Energy: 0.9046605228600308
Energy: 0.9249355325493519
Energy: 0.85141200747679
Energy: 0.9046605228600308
Energy: 0.9249355325486848
Energy: 0.8514120074761228
Energy: 0.9046605228600308
Energy: 0.9849643961877731
Energy: 0.9855579313900793
Energy: 0.8762283252288491
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Energy: 0.8955925890533171
Energy: 0.9074168724961476
Energy: 0.8969974552661285
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Energy: 0.9074168724961476
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Energy: 0.8891504907450635
Energy: 1.033722684646794
Energy: 1.2189018987297504
Energy: 0.8891504907450635
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Energy: 1.2189018987297504
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Energy: 0.9086673908503216
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Energy: 0.9086673908509889
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Energy: 0.9268717378655968
Energy: 0.9270214163012527
Energy: 0.9438237246869463
Energy: 0.9086485651635713
Energy: 1.0329748719339822
Energy: 0.9232809789810047
Energy: 0.9086485651642385
Energy: 1.0329748719353165
Energy: 0.9232809789810047
Energy: 0.9086485651642385
Energy: 1.0329748719326477
Energy: 0.9232809789810047
Energy: 0.9086485651642385
Energy: 0.889971761893861
Energy: 1.2186551364101283
Energy: 1.0335333586366497
Energy: 0.889971761893861
Energy: 1.2186551364101283
Energy: 1.0335333586419881
Energy: 0.889971761893861
Energy: 1.2186551364101283
Energy: 1.0335333586379842
Energy: 0.8899717618931936
Energy: 0.8957563943449931
Energy: 0.8970021743182708
Energy: 0.9072820767325934
Energy: 0.8957563943449931
Energy: 0.8970021743189379
Energy: 0.9072820767325934
Energy: 0.8957563943449931
Energy: 0.8970021743182708
Energy: 0.9072820767325934
Energy: 0.8957563943449931
Energy: 0.9859227144931489
Energy: 0.8761785274957583
Energy: 0.9853009211932844
Energy: 0.9859227144938162
Energy: 0.8761785274957583
Energy: 0.9853009211846095
Energy: 0.9859227144924818
Energy: 0.8761785274957583
Energy: 0.9853009211779366
Energy: 0.9859227144938162
Energy: 0.9047748179867992
Energy: 0.8504563488218864
Energy: 0.9250790418419146
Energy: 0.9047748179867992
Energy: 0.8504563488212191
Energy: 0.9250790418419146
Energy: 0.9047748179867992
Energy: 0.8504563488218864
Energy: 0.9250790418419146
Energy: 0.9047748179867992
Energy: 0.9546078217180319
Energy: 0.9759245201829687
Energy: 0.8634742860607771
Energy: 0.9546078217180319
Energy: 0.975924520185638
Energy: 0.8634742860614445
Energy: 0.9546078217180319
Energy: 0.9759245201849707
Energy: 0.8634742860614445
Energy: 0.9546078217186991
Energy: 0.8666208667925185
Energy: 0.9533795220625587
Energy: 0.9523270074602735
Energy: 0.8666208667925185
Energy: 0.9533795220638933
Energy: 0.9523270063810767
Energy: 0.8666208667925185
Energy: 0.9533795220612241
Energy: 0.9523270081606292
Energy: 0.8666208667918512

minimum gb energy = 0.8504563488212191 eV
minimum distance =  2.33490266547278 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.8680733122519745
Energy: 0.8315073032760285
Energy: 0.8287687118640783
Energy: 0.8385940776589861
Energy: 0.8315073032760285
Energy: 0.8287687118614891
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Energy: 0.7399761785850566
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Energy: 0.8255154260439265
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Energy: 0.8623741819860501
Energy: 0.8258029142066974
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Energy: 0.7686913271493644
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Energy: 0.8258029142066974
Energy: 0.7629170351520204
Energy: 0.7648431608140778
Energy: 0.7688769031741569
Energy: 0.7629170351546093
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Energy: 0.768876903171568
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Energy: 0.744065857174789
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Energy: 0.9300652154182721
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Energy: 0.7607640018166285
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Energy: 0.7607640018166285
Energy: 0.8011659347823668
Energy: 0.8740224644198766
Energy: 0.8426955989468529
Energy: 0.8486155934212788
Energy: 0.8443696051319328
Energy: 0.8426955989468529
Energy: 0.8486155934161008
Energy: 0.8740224644250546
Energy: 0.8426955989468529
Energy: 0.8486155934186898
Energy: 0.844369605129344
Energy: 0.8031334603215085
Energy: 0.7646687871776477
Energy: 0.8126312036502116
Energy: 0.8031334603189193
Energy: 0.7646687871776477
Energy: 0.8126312036502116
Energy: 0.8031334603163304
Energy: 0.7646687871750587
Energy: 0.8126312036502116
Energy: 0.8031334603189193
Energy: 0.8069864025693334
Energy: 0.758004408402404
Energy: 0.7719246548428254
Energy: 0.8069864025693334
Energy: 0.758004408404993
Energy: 0.7721124842457205
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Energy: 0.7719246548428254
Energy: 0.8069864025693334
Energy: 0.8457356129893117
Energy: 0.8465365162435956
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Energy: 0.8457356129893117
Energy: 0.8465365161763275
Energy: 0.7503333896398133
Energy: 0.8457356129893117
Energy: 0.8465365163988913
Energy: 0.7503710561797701
Energy: 0.8457356129893117
Energy: 0.7757296916852887
Energy: 0.9502356659763311
Energy: 0.7884327128786559
Energy: 0.7757296916852887
Energy: 0.9502356659763311
Energy: 0.7884327128786559
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Energy: 0.9502356659763311
Energy: 0.7884327128812451
Energy: 0.7757296916852887
Energy: 0.7590160881731068
Energy: 0.7725626251008157
Energy: 0.7645859404405619
Energy: 0.7590160881731068
Energy: 0.7725626251034049
Energy: 0.7645859404379729
Energy: 0.7590160881731068
Energy: 0.7725626251008157
Energy: 0.7645859404405619
Energy: 0.7590160881731068
Energy: 0.7672531096685433
Energy: 0.8772196451250058
Energy: 0.8074606739231072
Energy: 0.7672531096711325
Energy: 0.8772196451250058
Energy: 0.8074606739205181
Energy: 0.7672531096711325
Energy: 0.8772196451250058
Energy: 0.8074606739231072
Energy: 0.7672531096685433
Energy: 0.8935789841162751
Energy: 0.7400744468287711
Energy: 0.8101641584845728
Energy: 0.893578984118864
Energy: 0.7400744468287711
Energy: 0.8101641584871618
Energy: 0.893578984118864
Energy: 0.7400744468287711
Energy: 0.8101641584871618
Energy: 0.8935789841162751
Energy: 0.8320527981544094
Energy: 0.8290020672696886
Energy: 0.8395419174496049
Energy: 0.8320527981544094
Energy: 0.8290020672696886
Energy: 0.8395419174496049
Energy: 0.8320527981544094
Energy: 0.8290020672670996
Energy: 0.8395419174496049
Energy: 0.8320527981544094
Energy: 0.7412533234319117
Energy: 0.866623252320579
Energy: 0.798501864459913
Energy: 0.7412533234293227
Energy: 0.8670373964201816
Energy: 0.7985018644625019
Energy: 0.7412533234319117
Energy: 0.866623252320579
Energy: 0.798501864459913
Energy: 0.7412533234319117
Energy: 0.7727675444865822
Energy: 0.7640110722697268
Energy: 0.7644619055923569
Energy: 0.7727675444865822
Energy: 0.7640102746357162
Energy: 0.7646074703075212
Energy: 0.7727675444891714
Energy: 0.7640110722671377
Energy: 0.7644619055923569
Energy: 0.7727675444891714
Energy: 0.7526560973570584
Energy: 0.7660278987872234
Energy: 0.7629014113601399
Energy: 0.7526560973570584
Energy: 0.7660258476041323
Energy: 0.7629014113601399
Energy: 0.7526560973570584
Energy: 0.7660278987846344
Energy: 0.7629014113601399
Energy: 0.7526560973596473
Energy: 0.9349688594427294
Energy: 0.771225792280327
Energy: 0.7946195097977689
Energy: 0.9349688594452714
Energy: 0.7713297749795655
Energy: 0.7946195097977689
Energy: 0.9349688594452714
Energy: 0.771225792277738
Energy: 0.7946195097977689
Energy: 0.9349688594427294
Energy: 0.8022244249529362
Energy: 0.826987301514851
Energy: 0.7531825484310583
Energy: 0.8022244249555252
Energy: 0.826987301512262
Energy: 0.7531825484310583
Energy: 0.8022244249581142
Energy: 0.826987301512262
Energy: 0.7531825484336473
Energy: 0.8022244249529362

minimum gb energy = 0.7399761785824674 eV
minimum distance =  2.33476866198286 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.7270611412347062
Energy: 0.3624684802945717
Energy: 0.36265950140829756
Energy: 0.42611306987848724
Energy: 0.36246848029487894
Energy: 0.3626595014086049
Energy: 0.7270611412350136
Energy: 0.36246848029334233
Energy: 0.36265950140891223
Energy: 0.42611306987848724
Energy: 0.6549570568736452
Energy: 0.3567015918528516
Energy: 0.560772964600989
Energy: 0.586556460141726
Energy: 0.356701591852237
Energy: 0.6521312178319516
Energy: 0.6549570568733379
Energy: 0.356701591852237
Energy: 0.5607729646000669
Energy: 0.586556460140804
Energy: 0.47133073171202594
Energy: 0.363408500005045
Energy: 0.5351989332761644
Energy: 0.5444552996124149
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Energy: 0.5011474506987095
Energy: 0.47133073171264067
Energy: 0.363408500005045
Energy: 0.5351989332770863
Energy: 0.5444552996127223
Energy: 0.6899325489416083
Energy: 0.3637317959470952
Energy: 0.5881885439943865
Energy: 0.6899325489419156
Energy: 0.3637317959470952
Energy: 0.5329898126772012
Energy: 0.6899325489406861
Energy: 0.36373179594617316
Energy: 0.5881885439946939
Energy: 0.6899325489406861
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Energy: 0.380611289637088
Energy: 0.5081714884880529
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Energy: 0.38061128963647334
Energy: 0.3942264983005915
Energy: 0.36253481895363593
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Energy: 0.3625348189548652
Energy: 0.6297277116823945
Energy: 0.6782713959770028
Energy: 0.588088690417758
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Energy: 0.5264987159840608
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Energy: 0.6782713959776175
Energy: 0.588088690417758
Energy: 0.6297277116823945
Energy: 0.3643779698390872
Energy: 0.5656766571342512
Energy: 0.7030147193714271
Energy: 0.36437796983847254
Energy: 0.5896505258087171
Energy: 0.7030147193698906
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Energy: 0.5656766571342512
Energy: 0.7030147193692758
Energy: 0.36437796983847254
Energy: 0.6285286835834359
Energy: 0.5821368423031793
Energy: 0.3561791249280015
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Energy: 0.5052346347197029
Energy: 0.3561791249276942
Energy: 0.6285286835834359
Energy: 0.5821368423016706
Energy: 0.3561791249261575
Energy: 0.6285286835831287
Energy: 0.37046905296707766
Energy: 0.6236590943210478
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Energy: 0.45889856265965867
Energy: 0.5734863861126981
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Energy: 0.3704690529686144
Energy: 0.6236590943192036
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Energy: 0.4588985626602733
Energy: 0.5415035701067463
Energy: 0.5323996511461352
Energy: 0.35727536384765574
Energy: 0.4712414246656349
Energy: 0.4728049769693743
Energy: 0.35727536384796305
Energy: 0.5415035701052097
Energy: 0.532399651144906
Energy: 0.35727536384765574
Energy: 0.4712414246644056
Energy: 0.591696579968242
Energy: 0.7013322505704576
Energy: 0.38074942498294556
Energy: 0.614839377809502
Energy: 0.7013322505695355
Energy: 0.3807494249826382
Energy: 0.5916965799673479
Energy: 0.701332250568921
Energy: 0.3807494249817162
Energy: 0.6148393778110388
Energy: 0.43722659123561175
Energy: 0.36246848029426426
Energy: 0.36265950140829756
Energy: 0.5052281696151024
Energy: 0.36246848029487894
Energy: 0.3626595014086049
Energy: 0.43722659123899243
Energy: 0.36246848029364964
Energy: 0.3626595014091916
Energy: 0.5052281696154098
Energy: 0.6130500378606454
Energy: 0.3567015918531589
Energy: 0.6446205407271407
Energy: 0.5594355677614693
Energy: 0.3567015918528516
Energy: 0.5501695777732651
Energy: 0.6130500378594161
Energy: 0.3567015918525443
Energy: 0.6446205407283699
Energy: 0.5594355677623912
Energy: 0.5416430395016526
Energy: 0.3634085000053523
Energy: 0.47285606590828316
Energy: 0.47135747925859933
Energy: 0.3634085000053523
Energy: 0.5325095249733357
Energy: 0.541643039503804
Energy: 0.363408500005045
Energy: 0.4728560659088978
Energy: 0.47135747925890664
Energy: 0.6899325489409937
Energy: 0.36373179594648053
Energy: 0.5592376097755251
Energy: 0.6899325489416083
Energy: 0.36373179594678784
Energy: 0.5903005457167103
Energy: 0.6899325489406861
Energy: 0.3637317959455585
Energy: 0.5592376097749104
Energy: 0.6899325489403789
Energy: 0.3625348189530212
Energy: 0.38061128963647334
Energy: 0.5052644767881675
Energy: 0.36253481895209927
Energy: 0.38061128963585866
Energy: 0.581092306116588
Energy: 0.36253481895363593
Energy: 0.3806112896373954
Energy: 0.5052644767881675
Energy: 0.3625348189542506
Energy: 0.6297277116823945
Energy: 0.5149044824554245
Energy: 0.644614563285793
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Energy: 0.6782169633562853
Energy: 0.5917512769105441
Energy: 0.6297277116823945
Energy: 0.5149044824545026
Energy: 0.6446145632848709
Energy: 0.6297277116823945
Energy: 0.3643779698390872
Energy: 0.5354205769498525
Energy: 0.7030147193714271
Energy: 0.36437796983816517
Energy: 0.588700849261209
Energy: 0.7030147193695832
Energy: 0.3643779698375505
Energy: 0.5354205769504671
Energy: 0.7030147193692758
Energy: 0.36437796983847254
Energy: 0.6285286835837434
Energy: 0.39422979636088673
Energy: 0.3561791249280015
Energy: 0.6285286835834359
Energy: 0.5083471726644654
Energy: 0.3561791249276942
Energy: 0.6285286835837434
Energy: 0.39422979636119404
Energy: 0.3561791249264648
Energy: 0.6285286835834359
Energy: 0.5105971480287133
Energy: 0.545142961975487
Energy: 0.36260018979280767
Energy: 0.4602591869502617
Energy: 0.5726368137066393
Energy: 0.36260018979280767
Energy: 0.5105971480287133
Energy: 0.5451429619761016
Energy: 0.3626001897918857
Energy: 0.4602591869517983
Energy: 0.47120228975872347
Energy: 0.4730505551233486
Energy: 0.35727536384796305
Energy: 0.5442853721452482
Energy: 0.5350486386113477
Energy: 0.35727536384796305
Energy: 0.47120228975749406
Energy: 0.4730505551221192
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Energy: 0.6537115689152639
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Energy: 0.5934944224784763
Energy: 0.7013322505692283
Energy: 0.3807494249826382
Energy: 0.6537115689168006
Energy: 0.701332250568921
Energy: 0.3807494249817162
Energy: 0.5934944224784763
Energy: 0.7270611412343989
Energy: 0.36246848029426426
Energy: 0.36265950140799025
Energy: 0.42611306987848724
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Energy: 0.36265950140829756
Energy: 0.7270611412350136
Energy: 0.36246848029364964
Energy: 0.362659501409499
Energy: 0.42611306987817993
Energy: 0.6549570568733379
Energy: 0.3567015918534663
Energy: 0.5607729646006816
Energy: 0.586556460141726
Energy: 0.356701591852237
Energy: 0.6521312178325663
Energy: 0.6549570568733379
Energy: 0.3567015918525443
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Energy: 0.5011474506987095
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Energy: 0.6899325489416083
Energy: 0.3637317959470952
Energy: 0.5881885439946939
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Energy: 0.36373179594678784
Energy: 0.5329898126768939
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Energy: 0.36373179594586585
Energy: 0.5881885439946939
Energy: 0.6899325489403789
Energy: 0.3625348189530212
Energy: 0.38061128963678065
Energy: 0.5081714884880529
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Energy: 0.38061128963647334
Energy: 0.3942264983008988
Energy: 0.36253481895394324
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Energy: 0.5081714884874382
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Energy: 0.6297277116823945
Energy: 0.6782713959773101
Energy: 0.588088690417758
Energy: 0.6297277116827017
Energy: 0.5264987133194264
Energy: 0.590898084739787
Energy: 0.6297277116823945
Energy: 0.6782713959776175
Energy: 0.5880886904174508
Energy: 0.6297277116820871
Energy: 0.3643779698387798
Energy: 0.5656766571345586
Energy: 0.7030147193717344
Energy: 0.36437796983847254
Energy: 0.5896505258093317
Energy: 0.7030147193698906
Energy: 0.36437796983816517
Energy: 0.5656766571342512
Energy: 0.7030147193695832
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Energy: 0.6285286835831287
Energy: 0.5821368423031793
Energy: 0.35617912492830883
Energy: 0.6285286835831287
Energy: 0.5052346347200102
Energy: 0.3561791249280015
Energy: 0.6285286835834359
Energy: 0.582136842301978
Energy: 0.3561791249270795
Energy: 0.6285286835831287
Energy: 0.37046905296707766
Energy: 0.6236590943210478
Energy: 0.36260018979250036
Energy: 0.45889856265965867
Energy: 0.57348638611362
Energy: 0.36260018979280767
Energy: 0.3704690529689217
Energy: 0.623659094319511
Energy: 0.362600189792193
Energy: 0.4588985626602733
Energy: 0.5415035701067463
Energy: 0.5323996511458279
Energy: 0.35727536384796305
Energy: 0.4712414246659423
Energy: 0.47280497696906704
Energy: 0.35727536384796305
Energy: 0.5415035701049022
Energy: 0.532399651144906
Energy: 0.3572753638473484
Energy: 0.4712414246640983
Energy: 0.591696579968242
Energy: 0.7013322505704576
Energy: 0.3807494249832529
Energy: 0.614839377809502
Energy: 0.7013322505692283
Energy: 0.3807494249823309
Energy: 0.5916965799673479
Energy: 0.701332250568921
Energy: 0.3807494249820236
Energy: 0.6148393778116534

minimum gb energy = 0.3561791249261575 eV
minimum distance =  2.38017779521353 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.7439950657782198
Energy: 0.760554282909359
Energy: 0.7458555260306806
Energy: 0.7439950657782198
Energy: 0.760554282909359
Energy: 0.7458555260306806
Energy: 0.7439950657782198
Energy: 0.760554282909359
Energy: 0.7458555260306806
Energy: 0.7439950657782198
Energy: 0.8351856357414095
Energy: 0.6881263795535454
Energy: 0.7631297018896855
Energy: 0.8351856357414095
Energy: 0.6881263795518582
Energy: 0.7631297018896855
Energy: 0.8351856357414095
Energy: 0.6881263795535454
Energy: 0.7631297018896855
Energy: 0.8351856357414095
Energy: 0.7278484642162846
Energy: 0.6477824827097438
Energy: 0.736563531710019
Energy: 0.7278484642145975
Energy: 0.6477824827097438
Energy: 0.7365635317083319
Energy: 0.7278484642162846
Energy: 0.6477824827097438
Energy: 0.736563531710019
Energy: 0.7278484642162846
Energy: 0.8368431395912168
Energy: 0.6917886396557292
Energy: 0.8292181209864665
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Energy: 0.6917886396557292
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Energy: 0.8368431395912168
Energy: 0.6917886396557292
Energy: 0.8292181209864665
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Energy: 0.8559168993126707
Energy: 0.752425838772625
Energy: 0.7065331342045543
Energy: 0.8559168993126707
Energy: 0.7524258387709379
Energy: 0.7065331342028671
Energy: 0.8559168993126707
Energy: 0.752425838772625
Energy: 0.7065331342028671
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Energy: 0.7233107776093569
Energy: 0.7937713333682436
Energy: 0.7786825046640746
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Energy: 0.6750737731631034
Energy: 0.7638373517714306
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Energy: 0.6952908685111603
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Energy: 0.8107024238319718
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Energy: 0.7721948185787683
Energy: 0.688619519621923
Energy: 0.8603911412739099
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Energy: 0.7998859122788676
Energy: 0.7038715862402115
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Energy: 0.7038715862402115
Energy: 0.7744512436089442
Energy: 0.7998859122788676
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Energy: 0.6881700880155246
Energy: 0.7402360256520285
Energy: 0.7747626620802655
Energy: 0.6881700880155246
Energy: 0.7402360256520285
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Energy: 0.7402360256520285
Energy: 0.7747626620802655
Energy: 0.6881700880172118
Energy: 0.6845878586631492
Energy: 0.758766269399775
Energy: 0.7597619190726805
Energy: 0.6845878586631492
Energy: 0.7587662693964007
Energy: 0.7597619190591831
Energy: 0.6845878586631492
Energy: 0.7587662693980878
Energy: 0.7597619190642446
Energy: 0.6845878586631492
Energy: 0.6887599973509311
Energy: 0.815865164374309
Energy: 0.7301320768620753
Energy: 0.6887599973509311
Energy: 0.8158651643726218
Energy: 0.7301320768620753
Energy: 0.6887599973509311
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Energy: 0.7301320768620753
Energy: 0.6887599973509311
Energy: 0.7667950724355873
Energy: 0.7078743465719615
Energy: 0.7802696563692028
Energy: 0.7667950724355873
Energy: 0.7078743465719615
Energy: 0.7802696563692028
Energy: 0.7667950724339001
Energy: 0.7078743465719615
Energy: 0.7802696563692028
Energy: 0.7667950724355873
Energy: 0.7627499285065091
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minimum gb energy = 0.6477824827097438 eV
minimum distance =  2.25946649712072 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.0254851266824263
Energy: 0.9829814632571967

minimum gb energy = 0.8120770071732302 eV
minimum distance =  2.31243853033737 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 0.9245875418052141 eV
minimum distance =  2.24518478855323 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.9277722044214405
Energy: 0.940462813398722
Energy: 0.9270949255471185
Energy: 0.9277722044216928
Energy: 0.9404628133989741
Energy: 0.9270949255476229
Energy: 0.9277722044214405
Energy: 1.006818580546186
Energy: 1.0054124939761129
Energy: 1.0034426081832755
Energy: 1.006818580546438
Energy: 1.0054124939758606
Energy: 1.0034426081832755
Energy: 1.0068185805456817
Energy: 1.0054124939761129
Energy: 1.003442608183023
Energy: 1.0068185805456817
Energy: 0.949159477943786
Energy: 0.9593069370292143
Energy: 0.9291179050719213
Energy: 0.9491594779435338
Energy: 0.9593069370294435
Energy: 0.9291179050721734
Energy: 0.9491594779410116
Energy: 0.9593069370292143
Energy: 0.9291179050721734
Energy: 0.9491594779447948
Energy: 0.9773322647182916
Energy: 1.1124531760622365
Energy: 0.9264093912936352
Energy: 0.9773322647185209
Energy: 1.1124531760624885
Energy: 0.9264093912936352
Energy: 0.9773322647180164
Energy: 1.1124531760604708
Energy: 0.9264093912933831
Energy: 0.9773322647185209
Energy: 0.9272555673753189
Energy: 0.930961067775104
Energy: 0.9267359555314634
Energy: 0.927255567375594
Energy: 0.9309610677756085
Energy: 0.9267359555312112
Energy: 0.9272555673750896
Energy: 0.9309610677753792
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Energy: 0.927255567375594
Energy: 0.9752550269630859
Energy: 0.9643919661465084
Energy: 0.9302617757680851
Energy: 0.9752550269635902
Energy: 0.9643919661452475
Energy: 0.9302617757693463
Energy: 0.975255026963338
Energy: 0.9643919661465084
Energy: 0.9302617757695985
Energy: 0.9752550269643468
Energy: 0.9536443828378102
Energy: 1.0370958071249436
Energy: 1.037954100108067
Energy: 0.9536443828380623
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Energy: 1.0379541001078147
Energy: 0.9536443828380623
Energy: 1.037095807125196
Energy: 1.0379541001085715
Energy: 0.9536443828378102
Energy: 0.9753865667583151
Energy: 0.9303589457700072
Energy: 0.9644272156703192
Energy: 0.975386566758063
Energy: 0.9303589457700072
Energy: 0.964427215670067
Energy: 0.9753865667583151
Energy: 0.9303589457700072
Energy: 0.9644272156710758
Energy: 0.9753865667585676
Energy: 0.9272534250542345
Energy: 0.9267470372787757
Energy: 0.9306694983185523
Energy: 0.927253425053455
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Energy: 0.9306694983185523
Energy: 0.9272534250539595
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Energy: 0.9306694983185523
Energy: 0.9272534250537301
Energy: 0.9773920489400449
Energy: 0.9264030649634618
Energy: 1.1122396221339583
Energy: 0.9773920489398156
Energy: 0.9264030649632096
Energy: 1.112239622133706
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Energy: 0.9264030649634618
Energy: 1.1122396221344628
Energy: 0.9773920489398156
Energy: 0.9492571399160604
Energy: 0.928944669091362
Energy: 0.9595296518248981
Energy: 0.9492571399173217
Energy: 0.9289446690911098
Energy: 0.9595296518243939
Energy: 0.9492571399150517
Energy: 0.928944669091362
Energy: 0.9595296518248981
Energy: 0.9492571399173217
Energy: 1.0063006052669112
Energy: 1.0034056558599909
Energy: 1.0053757973198625
Energy: 1.0063006052676677
Energy: 1.0034056558597386
Energy: 1.0053757973196102
Energy: 1.0063006052664067
Energy: 1.0034056558597386
Energy: 1.0053757973196102
Energy: 1.0063006052653978
Energy: 0.9277581406501788
Energy: 0.927144222022759
Energy: 0.9403619628882336
Energy: 0.9277581406499267
Energy: 0.9271442220230112
Energy: 0.9403619628897238
Energy: 0.9277581406504312
Energy: 0.9271442220232636
Energy: 0.9403619628894717
Energy: 0.9277581406501788
Energy: 1.0097513155102311
Energy: 0.9311172666607181
Energy: 0.9309766498218424
Energy: 1.0097513155104831
Energy: 0.9311172666612225
Energy: 0.9309766498223466
Energy: 1.0097513155104831
Energy: 0.9311172666612225
Energy: 0.9309766498218424
Energy: 1.0097513155102311
Energy: 0.927772204420684
Energy: 0.9404628133989741
Energy: 0.9270949255471185
Energy: 0.9277722044209361
Energy: 0.9404628133992264
Energy: 0.9270949255473706
Energy: 0.927772204420684
Energy: 0.9404628133984698
Energy: 0.9270949255473706
Energy: 0.9277722044209361
Energy: 1.0068185805471948
Energy: 1.0054124939758606
Energy: 1.0034426081832755
Energy: 1.006818580546438
Energy: 1.0054124939761129
Energy: 1.003442608183023
Energy: 1.0068185805469425
Energy: 1.0054124939758606
Energy: 1.003442608183023
Energy: 1.006818580546438
Energy: 0.949159477946056
Energy: 0.9593069370292143
Energy: 0.9291179050721734
Energy: 0.9491594779432817
Energy: 0.9593069370294435
Energy: 0.9291179050719213
Energy: 0.9491594779417684
Energy: 0.9593069370294435
Energy: 0.9291179050721734
Energy: 0.9491594779427771
Energy: 0.9773322647185209
Energy: 1.1124531760612273
Energy: 0.9264093912938873
Energy: 0.9773322647182916
Energy: 1.1124531760589575
Energy: 0.9264093912941397
Energy: 0.9773322647182916
Energy: 1.1124531760612273
Energy: 0.9264093912943919
Energy: 0.9773322647182916

minimum gb energy = 0.9264030649632096 eV
minimum distance =  2.24828514035553 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.8712293641228948
Energy: 0.8716640681073167
Energy: 0.8718298163550288
Energy: 0.8712293641228948
Energy: 0.8716640681073167
Energy: 0.8718298163550288
Energy: 0.8712293641238064
Energy: 0.8716640681077726
Energy: 0.8718298163545729
Energy: 0.8712293641238064
Energy: 0.8699664259021102
Energy: 0.8716259738038793
Energy: 0.871837036854577
Energy: 0.8699664259021102
Energy: 0.8716259738038793
Energy: 0.871837036854577
Energy: 0.8699664259021102
Energy: 0.8716259738034233
Energy: 0.871837036854577
Energy: 0.8699664259021102
Energy: 0.8690768442002254
Energy: 0.8695799472202083
Energy: 1.0293648287107702
Energy: 0.8690768442002254
Energy: 0.8695799472202083
Energy: 1.0293648287107702
Energy: 0.8690768442002254
Energy: 0.8695799472211199
Energy: 1.0293648287107702
Energy: 0.8690768442006813
Energy: 1.0302705509340213
Energy: 0.8695956516396892
Energy: 0.8691761569825939
Energy: 1.0302705509340213
Energy: 0.869595651640145
Energy: 0.8691761569821381
Energy: 1.0302705509349332
Energy: 0.8695956516396892
Energy: 0.8691761569821381
Energy: 1.0302705509340213
Energy: 0.8719910974357314
Energy: 0.871774592320148
Energy: 0.869890350365204
Energy: 0.8719910974357314
Energy: 0.871774592320604
Energy: 0.8698903503656599
Energy: 0.8719910974357314
Energy: 0.871774592320604
Energy: 0.869890350364748
Energy: 0.8719910974357314
Energy: 0.8716640681073167
Energy: 0.8718298163545729
Energy: 0.8712293641233507
Energy: 0.8716640681077726
Energy: 0.8718298163545729
Energy: 0.8712293641233507
Energy: 0.8716640681077726
Energy: 0.8718298163545729
Energy: 0.8712293641233507
Energy: 0.8716640681077726
Energy: 0.8716259738029676
Energy: 0.871837036854577
Energy: 0.869966425902566
Energy: 0.8716259738034233
Energy: 0.871837036854577
Energy: 0.8699664259021102
Energy: 0.8716259738038793
Energy: 0.871837036854577
Energy: 0.8699664259021102
Energy: 0.8716259738034233
Energy: 0.8695799472211199
Energy: 1.029364828711226
Energy: 0.8690768442006813
Energy: 0.8695799472206641
Energy: 1.0293648287107702
Energy: 0.8690768442002254
Energy: 0.8695799472211199
Energy: 1.029364828711226
Energy: 0.8690768442002254
Energy: 0.8695799472211199
Energy: 0.8695956516396892
Energy: 0.8691761569825939
Energy: 1.0302705509344772
Energy: 0.8695956516392334
Energy: 0.8691761569821381
Energy: 1.0302705509340213
Energy: 0.8695956516396892
Energy: 0.8691761569821381
Energy: 1.0302705509344772
Energy: 0.869595651640145
Energy: 0.871774592320604
Energy: 0.869890350365204
Energy: 0.8719910974357314
Energy: 0.871774592320604
Energy: 0.8698903503656599
Energy: 0.8719910974352755
Energy: 0.871774592320604
Energy: 0.8698903503656599
Energy: 0.8719910974352755
Energy: 0.871774592320604
Energy: 0.8718298163554846
Energy: 0.8712293641233507
Energy: 0.8716640681073167
Energy: 0.8718298163545729
Energy: 0.8712293641238064
Energy: 0.8716640681077726
Energy: 0.8718298163554846
Energy: 0.8712293641233507
Energy: 0.8716640681073167
Energy: 0.8718298163550288
Energy: 0.8718370368550329
Energy: 0.869966425902566
Energy: 0.8716259738034233
Energy: 0.8718370368550329
Energy: 0.8699664259021102
Energy: 0.8716259738034233
Energy: 0.8718370368541212
Energy: 0.8699664259030219
Energy: 0.8716259738034233
Energy: 0.871837036854577
Energy: 1.0293648287107702
Energy: 0.8690768442002254
Energy: 0.8695799472206641
Energy: 1.0293648287107702
Energy: 0.8690768441997697
Energy: 0.8695799472215757
Energy: 1.0293648287107702
Energy: 0.8690768442002254
Energy: 0.8695799472206641
Energy: 1.0293648287103143
Energy: 0.8691761569825939
Energy: 1.0302705509349332
Energy: 0.869595651640145
Energy: 0.8691761569825939
Energy: 1.0302705509340213
Energy: 0.869595651640145
Energy: 0.8691761569821381
Energy: 1.0302705509344772
Energy: 0.8695956516396892
Energy: 0.8691761569821381
Energy: 0.8698903503656599
Energy: 0.8719910974352755
Energy: 0.871774592320604
Energy: 0.869890350365204
Energy: 0.8719910974352755
Energy: 0.871774592320604
Energy: 0.869890350365204
Energy: 0.8719910974352755
Energy: 0.871774592320148
Energy: 0.8698903503661156
Energy: 0.8712293641233507
Energy: 0.8716640681073167
Energy: 0.8718298163545729
Energy: 0.8712293641238064
Energy: 0.8716640681073167
Energy: 0.8718298163550288
Energy: 0.8712293641233507
Energy: 0.8716640681077726
Energy: 0.8718298163545729
Energy: 0.8712293641233507
Energy: 0.8699664259021102
Energy: 0.8716259738038793
Energy: 0.871837036854577
Energy: 0.8699664259021102
Energy: 0.8716259738038793
Energy: 0.8718370368550329
Energy: 0.869966425902566
Energy: 0.8716259738038793
Energy: 0.871837036854577
Energy: 0.8699664259030219
Energy: 0.8690768442002254
Energy: 0.8695799472211199
Energy: 1.029364828711226
Energy: 0.8690768442002254
Energy: 0.8695799472211199
Energy: 1.0293648287107702
Energy: 0.8690768442002254
Energy: 0.8695799472206641
Energy: 1.029364828711226
Energy: 0.8690768442006813
Energy: 1.0302705509344772
Energy: 0.869595651640145
Energy: 0.8691761569825939
Energy: 1.0302705509335652
Energy: 0.8695956516396892
Energy: 0.8691761569825939
Energy: 1.0302705509344772
Energy: 0.8695956516396892
Energy: 0.8691761569821381
Energy: 1.0302705509340213
Energy: 0.8719910974357314
Energy: 0.871774592320148
Energy: 0.8698903503656599
Energy: 0.8719910974357314
Energy: 0.871774592320604
Energy: 0.8698903503656599
Energy: 0.8719910974352755
Energy: 0.871774592320148
Energy: 0.8698903503656599
Energy: 0.8719910974352755
Energy: 0.8716640681073167
Energy: 0.8718298163550288
Energy: 0.8712293641233507
Energy: 0.8716640681073167
Energy: 0.8718298163554846
Energy: 0.8712293641233507
Energy: 0.8716640681077726
Energy: 0.8718298163550288
Energy: 0.8712293641233507
Energy: 0.8716640681073167
Energy: 0.8716259738034233
Energy: 0.871837036854577
Energy: 0.8699664259021102
Energy: 0.8716259738034233
Energy: 0.8718370368550329
Energy: 0.869966425902566
Energy: 0.8716259738034233
Energy: 0.8718370368541212
Energy: 0.869966425902566
Energy: 0.8716259738038793

minimum gb energy = 0.8690768441997697 eV
minimum distance =  2.30784566311993 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.9386087010396829
Energy: 0.9325586688716915
Energy: 0.9734286818350862
Energy: 0.927124540089423
Energy: 0.9325586688737578
Energy: 0.97342868183302
Energy: 0.938608701041749
Energy: 0.9325586688737578
Energy: 0.9734286818309537
Energy: 0.927124540089423
Energy: 0.9879605762983812
Energy: 0.9345441119556763
Energy: 0.9183757282874804
Energy: 0.9879605762901158
Energy: 0.93454411195361
Energy: 0.918375728285414
Energy: 0.9879605762963148
Energy: 0.9345441119556763
Energy: 0.9183757282874804
Energy: 0.9879605762963148
Energy: 0.9976329835605968
Energy: 0.9279381967116154
Energy: 1.0701284210697701
Energy: 0.9976329835605968
Energy: 0.9279381967095489
Energy: 1.0701284210718365
Energy: 0.9976329835585304
Energy: 0.9279381967095489
Energy: 1.0701284210697701
Energy: 0.9976329835585304
Energy: 0.911401890397057
Energy: 0.9290437065636629
Energy: 0.9117898741541619
Energy: 0.911401890397057
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Energy: 0.9117898741541619
Energy: 0.9114018903949905
Energy: 0.9290437065636629
Energy: 0.9117898741541619
Energy: 0.9114018903949905
Energy: 0.9852613691341149
Energy: 0.9341339929907646
Energy: 1.007460471886109
Energy: 0.9852613691341149
Energy: 0.9341339929907646
Energy: 1.007460471886109
Energy: 0.9852613691361811
Energy: 0.9341339929907646
Energy: 1.007460471886109
Energy: 0.9852613691361811
Energy: 0.9621625229630745
Energy: 1.0129969215253762
Energy: 0.907558740694172
Energy: 0.9621625229589418
Energy: 1.0129969215233097
Energy: 0.9075587406921057
Energy: 0.9621625229610081
Energy: 1.0129969215253762
Energy: 0.907558740694172
Energy: 0.9621625229630745
Energy: 0.9299420722342671
Energy: 1.0015122166464505
Energy: 1.02266446235936
Energy: 0.9302844081167194
Energy: 1.0015122166464505
Energy: 1.0226644623572936
Energy: 0.9299420722342671
Energy: 1.0015122166464505
Energy: 1.02266446235936
Energy: 0.9302844081126241
Energy: 0.9351268238421573
Energy: 1.0073133104849503
Energy: 1.012476019878043
Energy: 0.9351268238400908
Energy: 1.0073133104870169
Energy: 1.012476019880109
Energy: 0.9351268238421573
Energy: 1.0073133104870169
Energy: 1.012476019880109
Energy: 0.9351268238442235
Energy: 1.0924814006680006
Energy: 0.9261894307001168
Energy: 0.9249796649456218
Energy: 1.0924814006680006
Energy: 0.9261894306980506
Energy: 0.9249796649476881
Energy: 1.0924814006721333
Energy: 0.9261894307001168
Energy: 0.9249796649476881
Energy: 1.0924814006700667
Energy: 0.9326868932414433
Energy: 1.1244027112890822
Energy: 0.993199529828117
Energy: 0.9326874637174383
Energy: 1.1244027112890822
Energy: 0.993199529828117
Energy: 0.9326868932435097
Energy: 1.124402711287016
Energy: 0.993199529828117
Energy: 0.9326874637195047
Energy: 0.9404394552106272
Energy: 0.9030453265825223
Energy: 0.9834088677027291
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Energy: 0.9030453265825223
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Energy: 0.9404394552126936
Energy: 0.9030453265845887
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Energy: 0.9404394552126936
Energy: 0.9791837958773703
Energy: 0.9082292449687525
Energy: 1.0145153621345864
Energy: 0.9791837958773703
Energy: 0.9082352662589258
Energy: 1.0145153621366525
Energy: 0.9791837958794367
Energy: 0.908229244966686
Energy: 1.0145153621345864
Energy: 0.9791837958794367
Energy: 1.066846998317901
Energy: 0.9109526531085621
Energy: 1.0161009017700422
Energy: 1.066846998317901
Energy: 0.9109526531106282
Energy: 1.0161009017700422
Energy: 1.066846998317901
Energy: 0.9109526531106282
Energy: 1.016100901767976
Energy: 1.0668469983158346
Energy: 0.9087945824807382
Energy: 0.9031097887639526
Energy: 1.0827549499024873
Energy: 0.9087945824807382
Energy: 0.9031097887618864
Energy: 1.0827549499004208
Energy: 0.9087945824787095
Energy: 0.9031097887618864
Energy: 1.0827549498983546
Energy: 0.9087945824787095
Energy: 0.9838205025763468
Energy: 1.0276728370830965
Energy: 0.9178452633792221
Energy: 0.9838205025742807
Energy: 1.0276728370872297
Energy: 0.9178449789023384
Energy: 0.9838205025742807
Energy: 1.027672837085163
Energy: 0.9178452633771557
Energy: 0.9838205025763468
Energy: 0.9230341015275132
Energy: 1.0587156956864685
Energy: 1.009301141629959
Energy: 0.9230341015275132
Energy: 1.0587156956864685
Energy: 1.009301141629959
Energy: 0.9230341015254468
Energy: 1.0587156956864685
Energy: 1.009301141629959
Energy: 0.9230341015254468
Energy: 0.9338012305956667
Energy: 1.0495681700700001
Energy: 1.0265488384157129
Energy: 0.9338012305956667
Energy: 1.049568170067934
Energy: 1.0265488384157129
Energy: 0.9338012305956667
Energy: 1.0495681700720665
Energy: 1.0265488384177794
Energy: 0.9338012305956667
Energy: 1.0719922416098646
Energy: 0.9183603046660396
Energy: 0.9185394029289228
Energy: 1.0719922416078358
Energy: 0.9183603046660396
Energy: 0.9185394029309892
Energy: 1.0719922416078358
Energy: 0.9183603046639733
Energy: 0.9185394029309892
Energy: 1.0719922416078358
Energy: 0.9204064568369111
Energy: 1.007942227685106
Energy: 0.9904229441030586
Energy: 0.9204064568389776
Energy: 1.0079422276871348
Energy: 0.9904229441030586
Energy: 0.9204064568410437
Energy: 1.0079422276871348
Energy: 0.9904229441009922
Energy: 0.9204064568389776
Energy: 0.9961662912929694
Energy: 0.9179712989016087
Energy: 0.9588970781987349
Energy: 0.9961662912929694
Energy: 0.9179712988995423
Energy: 0.9588970782008014
Energy: 0.9961662912929694
Energy: 0.9179712989016087
Energy: 0.9588970781987349
Energy: 0.9961662912929694
Energy: 0.9671284481159588
Energy: 0.9355908907211139
Energy: 1.0185306909992171
Energy: 0.9671284481159588
Energy: 0.9355908907231802
Energy: 1.0185306909992171
Energy: 0.9671284481159588
Energy: 0.9355908907231802
Energy: 1.0185306910012835
Energy: 0.9671284481159588
Energy: 0.9398987216157368
Energy: 1.1554913891005998
Energy: 0.9078939922076859
Energy: 0.9398987216157368
Energy: 1.1554913891026661
Energy: 0.9078939922076859
Energy: 0.9398987216157368
Energy: 1.1554913891026661
Energy: 0.9078939922056197
Energy: 0.9398987216157368
Energy: 0.9273035578903139
Energy: 0.9290366148355694
Energy: 0.934096925863244
Energy: 0.9275130332074387
Energy: 0.9289324680853288
Energy: 0.9340969258611777
Energy: 0.9273035578903139
Energy: 0.9290366148335031
Energy: 0.934096925863244
Energy: 0.9275130332053724
Energy: 0.9136621296497359
Energy: 0.9249643213112873
Energy: 0.9044638631746379
Energy: 0.9136621296497359
Energy: 0.9249643213112873
Energy: 0.9044638631725713
Energy: 0.9136621296476696
Energy: 0.9249643213112873
Energy: 0.9044638631725713
Energy: 0.9136621296476696
Energy: 1.0281040531246444
Energy: 0.9404473138408987
Energy: 0.9385010839016297
Energy: 1.0281040531246444
Energy: 0.9404473138408987
Energy: 0.938501083903696
Energy: 1.0281040531246444
Energy: 0.9404473138429652
Energy: 0.938501083903696
Energy: 1.0281040531267107
Energy: 0.9327896852462837
Energy: 1.0573318407481143
Energy: 0.9692768797177279
Energy: 0.9326183188712224
Energy: 1.0573318407481143
Energy: 0.9692768797177279
Energy: 0.9327896852442172
Energy: 1.0573318407481143
Energy: 0.9692768797177279
Energy: 0.9326183188753551
Energy: 1.0083185145206321
Energy: 0.9022686595024503
Energy: 0.9808194378306231
Energy: 1.0083185145185658
Energy: 0.902268659500384
Energy: 0.9808194378285566
Energy: 1.0083185145185658
Energy: 0.9022686595024503
Energy: 0.9808194378285566
Energy: 1.0083185145185658
Energy: 1.0125162452731684
Energy: 0.9264173683314598
Energy: 1.0125910541177363
Energy: 1.0125162452731684
Energy: 0.9264173683314598
Energy: 1.0125910541177363
Energy: 1.0125162452731684
Energy: 0.9264173683314598
Energy: 1.0125910541177363
Energy: 1.0125162452731684
Energy: 1.0173696793244469
Energy: 0.902609639279127
Energy: 0.9951833346910233
Energy: 1.0173721115426544
Energy: 0.902637151017672
Energy: 0.9951833346951557
Energy: 1.0173696793244469
Energy: 0.9026096392770607
Energy: 0.9951833346930896
Energy: 1.0173721115426544
Energy: 0.9276926216387752
Energy: 0.9021027245106903
Energy: 1.0143592843494258
Energy: 0.9276926216367088
Energy: 0.9021027245086239
Energy: 1.0143592843514921
Energy: 0.9276926216346425
Energy: 0.9021027245086239
Energy: 1.0143592843514921
Energy: 0.9276926216367088
Energy: 1.0959783777941556
Energy: 1.0120372894136962
Energy: 0.9173912864356402
Energy: 1.0959783777920893
Energy: 1.0120372894136962
Energy: 0.9171953800842146
Energy: 1.0959783777920893
Energy: 1.01203728941163
Energy: 0.9173912864356402
Energy: 1.0959783777941556
Energy: 0.9026886244133778
Energy: 1.0590608047186392
Energy: 1.0062052493584854
Energy: 0.9026886244133778
Energy: 1.0590608047207057
Energy: 1.0062052493564189
Energy: 0.9026886244113115
Energy: 1.0590608047186392
Energy: 1.0062052493564189
Energy: 0.9026886244133778
Energy: 0.9374785126307473
Energy: 0.9994117136358736
Energy: 0.9098945796442692
Energy: 0.9260445592692376
Energy: 0.9994117136358736
Energy: 0.9098945796442692
Energy: 0.9374785126307473
Energy: 0.9994117136379398
Energy: 0.9098945796442692
Energy: 0.9260445592692376
Energy: 0.9380118526038411
Energy: 1.0012030279999207
Energy: 1.0041563133848952
Energy: 0.9260620155045349
Energy: 1.0012030280040534
Energy: 0.9906020549777339
Energy: 0.9380118526038411
Energy: 1.001203028001987
Energy: 1.0041563133828288
Energy: 0.9260620155045349
Energy: 0.9071629226957227
Energy: 1.0812610729705474
Energy: 0.9832035054717564
Energy: 0.9071629226977889
Energy: 1.081261072972614
Energy: 0.9832035054717564
Energy: 0.9071629226977889
Energy: 1.0812610729705474
Energy: 0.9832035054717564
Energy: 0.9071629226977889
Energy: 1.0578925260556815
Energy: 0.9174550325683066
Energy: 0.9495184117794673
Energy: 1.057892526057748
Energy: 0.9174550325683066
Energy: 0.9495184117794673
Energy: 1.057892526057748
Energy: 0.9174550325683066
Energy: 0.9495184117774008
Energy: 1.057892526057748
Energy: 0.9296364099001379
Energy: 1.007350111910979
Energy: 0.902295348383722
Energy: 0.9296364099022042
Energy: 1.0073501119130452
Energy: 0.9026208900160877
Energy: 0.9296364099001379
Energy: 1.0073501119130452
Energy: 0.902295348377523
Energy: 0.9296364099001379
Energy: 1.0218147084342912
Energy: 1.0057880531263976
Energy: 0.9082804789788637
Energy: 1.0218147084322249
Energy: 1.0057880531243313
Energy: 0.9082804789788637
Energy: 1.0218147084301585
Energy: 1.0057880531243313
Energy: 0.9082804789788637
Energy: 1.0218147084342912
Energy: 1.0007072563818586
Energy: 1.0001738657931694
Energy: 0.9261087110332499
Energy: 1.0007072563797923
Energy: 1.0001738657931694
Energy: 0.9261087110332499
Energy: 1.0007072563797923
Energy: 1.000173865791103
Energy: 0.9261087110352786
Energy: 1.0007072563818586
Energy: 1.07121301653108
Energy: 1.0145962502219867
Energy: 0.902397873799702
Energy: 1.07121301653108
Energy: 1.0145962502219867
Energy: 0.9023978738017685
Energy: 1.0712130165290135
Energy: 1.0145962502219867
Energy: 0.9023978738017685
Energy: 1.0712130165331086
Energy: 0.9335373171642967
Energy: 1.0172134417539012
Energy: 0.9403280457594732
Energy: 0.933537317166363
Energy: 1.0172134417539012
Energy: 0.9403280457615393
Energy: 0.933537317166363
Energy: 1.0172134417559675
Energy: 0.9403280457594732
Energy: 0.9335373171642967
Energy: 1.0088563892846871
Energy: 0.9270160186490075
Energy: 0.9280960132311938
Energy: 1.0088563892826208
Energy: 0.9270160186469414
Energy: 0.9280960132311938
Energy: 1.0088563892826208
Energy: 0.927016018644875
Energy: 0.9280960132353265
Energy: 1.0088563892826208
Energy: 1.1120288577770312
Energy: 0.903239497844355
Energy: 0.9872569979480099
Energy: 1.1120288577790975
Energy: 0.903239497844355
Energy: 0.9872569979500764
Energy: 1.1120288577790975
Energy: 0.903239497844355
Energy: 0.9872569979521427
Energy: 1.112028857774965
Energy: 0.9279940539005795
Energy: 1.163373296843768
Energy: 0.9311281033761715
Energy: 0.9279940539047122
Energy: 1.1633732968458343
Energy: 0.9311281033782376
Energy: 0.9279940539026459
Energy: 1.1633732968458343
Energy: 0.931128103374105
Energy: 0.9279940539005795
Energy: 1.0191122641363302
Energy: 0.9076502062492949
Energy: 1.0409571120070904
Energy: 1.0191122641363302
Energy: 0.9076480557650536
Energy: 1.0409571120091567
Energy: 1.0191122641404626
Energy: 0.9076502062492949
Energy: 1.0409571120070904
Energy: 1.0191122641404626
Energy: 1.0519038952643143
Energy: 0.9178097924826767
Energy: 1.012670941761279
Energy: 1.0519038952663804
Energy: 0.9178097924826767
Energy: 1.012670941761279
Energy: 1.0519038952643143
Energy: 0.9178097924806105
Energy: 1.0126709417592126
Energy: 1.0519038952622852
Energy: 1.0233796534593085
Energy: 0.9430230821477683
Energy: 0.9180808726061626
Energy: 1.0233796534572421
Energy: 0.9430230821436357
Energy: 0.9180801999219659
Energy: 1.0233796534572421
Energy: 0.9430230821436357
Energy: 0.9180808726082289
Energy: 1.0233796534593085
Energy: 0.9024421082828639
Energy: 0.9003472724215299
Energy: 0.9072117346924526
Energy: 0.9024421082807976
Energy: 0.9003472724235962
Energy: 0.9072117346924526
Energy: 0.9024421082807976
Energy: 0.9003472724235962
Energy: 0.9072117346986517
Energy: 0.9024421082828639
Energy: 0.9255902723840251
Energy: 1.0074613589164845
Energy: 1.0011193847554205
Energy: 0.9255902723819588
Energy: 1.0074613589164845
Energy: 1.0011193847554205
Energy: 0.9255902723798924
Energy: 1.0074613589164845
Energy: 1.0011193847554205
Energy: 0.925590272377826

minimum gb energy = 0.9003472724215299 eV
minimum distance =  2.25591336768015 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.9185616705132094
Energy: 0.9215335362786216
Energy: 0.9212724526301365
Energy: 0.9185616705132094
Energy: 0.9215335362793744
Energy: 0.9212724526301365
Energy: 0.9185616705124565
Energy: 0.9215335362793744
Energy: 0.9212724526308893
Energy: 0.9185616705132094
Energy: 1.0551954763101772
Energy: 0.9020430870243765
Energy: 0.898997490819269
Energy: 1.0551954763101772
Energy: 0.9020430870243765
Energy: 0.8989974908200219
Energy: 1.0551954763101772
Energy: 0.9020430870236238
Energy: 0.898997490819269
Energy: 1.0551954763109301
Energy: 1.0449689634956234
Energy: 0.8875620237341791
Energy: 1.116486096567281
Energy: 1.0449689634956234
Energy: 0.8875620237341791
Energy: 1.116486096566528
Energy: 1.0449689634956234
Energy: 0.8875620237341791
Energy: 1.116486096567281
Energy: 1.0449689634956234
Energy: 0.9708590949696969
Energy: 1.0520897839682524
Energy: 0.9650109196299494
Energy: 0.9708590949696969
Energy: 1.0520897839674994
Energy: 0.9650109196307023
Energy: 0.9708590949696969
Energy: 1.0520897839674994
Energy: 0.9650109196307023
Energy: 0.9708590949696969
Energy: 0.9738922668767822
Energy: 0.9173897623926579
Energy: 1.1069998885467294
Energy: 0.9738922668752765
Energy: 0.9173897623926579
Energy: 1.1069998885459766
Energy: 0.9738922668760294
Energy: 0.9173897623926579
Energy: 1.1069998885467294
Energy: 0.9738922668760294
Energy: 1.0049464459924036
Energy: 0.9819165334266448
Energy: 0.9008242825740406
Energy: 1.0049464459924036
Energy: 0.9819165334251393
Energy: 0.9008242825747933
Energy: 1.0049464459924036
Energy: 0.9819165334281506
Energy: 0.9008242825747933
Energy: 1.0049464459916508
Energy: 1.0276556287025984
Energy: 0.9311940070726447
Energy: 0.8876962389196874
Energy: 1.0276556287018455
Energy: 0.9311940070726447
Energy: 0.8876962389196874
Energy: 1.0276556287018455
Energy: 0.9311940070726447
Energy: 0.8876962389196874
Energy: 1.0276556287018455
Energy: 0.9722707967342878
Energy: 1.0184423577743842
Energy: 0.9599303073387963
Energy: 0.9722707967342878
Energy: 1.0184423577751371
Energy: 0.9599303073395491
Energy: 0.9722707967342878
Energy: 1.0184423577743842
Energy: 0.9599303073387963
Energy: 0.9722707967342878
Energy: 0.919790628648876
Energy: 0.915165093433085
Energy: 0.916712817513514
Energy: 0.9197906286518873
Energy: 0.9151650934338377
Energy: 0.916712817513514
Energy: 0.9197906286481232
Energy: 0.9151650934338377
Energy: 0.916712817513514
Energy: 0.9197906286533928
Energy: 0.9637427127444158
Energy: 0.9787867856221524
Energy: 1.0488412405651004
Energy: 0.963742712743663
Energy: 0.9787867856221524
Energy: 1.0488412405643477
Energy: 0.963742712743663
Energy: 0.9787867856221524
Energy: 1.0488412405651004
Energy: 0.963742712743663
Energy: 0.9555905664022011
Energy: 0.9553896899895699
Energy: 0.9626368004597258
Energy: 0.9555905664014482
Energy: 0.9553896899895699
Energy: 0.9626368004597258
Energy: 0.9555905664014482
Energy: 0.9553896899903227
Energy: 0.9626368004597258
Energy: 0.9555905664014482
Energy: 0.9794894896159162
Energy: 0.8991032076695662
Energy: 1.0512425883982424
Energy: 0.979489489616669
Energy: 0.8991032076695662
Energy: 1.0512425883982424
Energy: 0.979489489616669
Energy: 0.8991032076695662
Energy: 1.0512425883982424
Energy: 0.979489489616669
Energy: 0.9154538651378288
Energy: 0.9368503904707953
Energy: 0.9165593057760411
Energy: 0.9154538651378288
Energy: 0.9368503904730536
Energy: 0.9165593057752883
Energy: 0.9154538651378288
Energy: 0.9368503905099413
Energy: 0.9165593057760411
Energy: 0.9154538651378288
Energy: 0.9783203905041971
Energy: 0.901292982332222
Energy: 0.9598575566894558
Energy: 0.9783203905041971
Energy: 0.901292982332222
Energy: 0.9598575566902087
Energy: 0.9783203905034443
Energy: 0.9012929823329748
Energy: 0.9598575566902087
Energy: 0.9783203905041971

minimum gb energy = 0.8875620237341791 eV
minimum distance =  2.26440248792481 Angstroms
sigma value = 33