Model name: model_name=MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650763273239
cohesive_energy=3.360264252983419
mass=26.981538
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: 0.011733845953218164
Energy: 0.17653254370857227
Energy: 0.17653254370857227
Energy: 0.011733845953218164
Energy: 0.17653254370857227
Energy: 0.17653254370857227
Energy: 0.011733845953218164
Energy: 0.17653254370857227
Energy: 0.17653254370857227
Energy: 0.011733845953218164
Energy: 0.176042367011822
Energy: 0.012322486362842862
Energy: 0.17669734722089847
Energy: 0.176042367011822
Energy: 0.01232248636399758
Energy: 0.17669734721974378
Energy: 0.176042367011822
Energy: 0.012322486362842862
Energy: 0.17669734722089847
Energy: 0.176042367011822
Energy: 0.5995373150512736
Energy: 0.2636108573638775
Energy: 0.46608341247402857
Energy: 0.6785744843218571
Energy: 0.09185839177230395
Energy: 0.1062630506124944
Energy: 0.39608404510670064
Energy: 0.012514962769643371
Energy: 0.10626305061364909
Energy: 0.39608883779924486
Energy: 0.17604236701297668
Energy: 0.17669734721974378
Energy: 0.012322486362842862
Energy: 0.176042367011822
Energy: 0.17669734722089847
Energy: 0.012322486362842862
Energy: 0.17604236701297668
Energy: 0.17669734722089847
Energy: 0.01232248636399758
Energy: 0.17604236701297668
Energy: 0.01173384595437288
Energy: 0.17653254370857227
Energy: 0.17653254370857227
Energy: 0.01173384595437288
Energy: 0.17653254370857227
Energy: 0.17653254370857227
Energy: 0.01173384595437288
Energy: 0.17653254370857227
Energy: 0.17653254370857227
Energy: 0.01173384595437288
Energy: 0.17604236701297668
Energy: 0.01232248636399758
Energy: 0.17669734721974378
Energy: 0.176042367011822
Energy: 0.012322486362842862
Energy: 0.17669734721974378
Energy: 0.17604236701297668
Energy: 0.012322486362842862
Energy: 0.17669734721974378
Energy: 0.176042367011822
Energy: 0.5975008896174913
Energy: 0.390982638600042
Energy: 0.2751116254775381
Energy: 0.5975008896174913
Energy: 0.17737415674244697
Energy: 0.1062630506124944
Energy: 0.39609278391578867
Energy: 0.2636108573638775
Energy: 0.10626305061364909
Energy: 0.3960908449977458

minimum gb energy = 0.011733845953218164 eV
minimum distance =  2.6331597873243 Angstroms
sigma value = 3


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

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Energy: 0.6492457621114572
Energy: 0.6492300628938317
Energy: 0.5167096610167387
Energy: 0.6492457621111742
Energy: 0.6492300628955288
Energy: 0.5557751427835689
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Energy: 0.6492300628943973
Energy: 0.5167096610156072
Energy: 0.5799096936484511
Energy: 0.5374105149891097
Energy: 0.6378260348067469
Energy: 0.5799096936204492
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Energy: 0.5799096936967921
Energy: 0.6486091146369125
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Energy: 0.5375122527034588
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Energy: 0.4977180981843625
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Energy: 0.661805915846203
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Energy: 0.6610886250795767
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Energy: 0.551210891500104
Energy: 0.6610886250807082
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Energy: 0.6543374591623895
Energy: 0.5377474199994066
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Energy: 0.6543374591649351
Energy: 0.537688893638767
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Energy: 0.6543374591626723
Energy: 0.5377474200002552
Energy: 0.5682929360291422
Energy: 0.5557751427824374
Energy: 0.6492457621103258
Energy: 0.6492300628958116
Energy: 0.5167096610147588
Energy: 0.6492457621111742
Energy: 0.6492300628963773
Energy: 0.5557751427832859
Energy: 0.6492457621108915
Energy: 0.6492300628955288
Energy: 0.516709661016173
Energy: 0.5799096937151772
Energy: 0.5374105149902412
Energy: 0.6378260348075954
Energy: 0.5799096934957909
Energy: 0.5374105149896754
Energy: 0.6378260348064639
Energy: 0.5799096935336667
Energy: 0.5374105149893926
Energy: 0.6378260348078784
Energy: 0.5799096934824971
Energy: 0.6486091146462464
Energy: 0.6794837006048193
Energy: 0.6609478737480509
Energy: 0.5729898470662937
Energy: 0.6794837006059508
Energy: 0.6609478737477681
Energy: 0.6486091146437009
Energy: 0.6794837006059508
Energy: 0.6609478737486166
Energy: 0.5729898470665767
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Energy: 0.5994724508342316
Energy: 0.517203885401839
Energy: 0.6497302166773055
Energy: 0.5994724508359288
Energy: 0.5172038854029704
Energy: 0.6497302166792854
Energy: 0.5994724508342316
Energy: 0.5172038854041017
Energy: 0.6497302166787197

minimum gb energy = 0.49771245945632164 eV
minimum distance =  2.50975304591751 Angstroms
sigma value = 75


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

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Energy: 0.49329911899468987
Energy: 0.4936143299040252
Energy: 0.5399826918995176
Energy: 0.49329911899607004
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minimum gb energy = 0.48899776260572575 eV
minimum distance =  2.50297787038786 Angstroms
sigma value = 105


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

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Energy: 0.6379279480210224
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Energy: 0.614857637914591
Energy: 0.6313737762237004
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Energy: 0.6148576379234802
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Energy: 0.6323457424607776
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Energy: 0.6313737762258802
Energy: 0.6323457424603247
Energy: 0.6148576379340397
Energy: 0.7395736707607387
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Energy: 0.5905472483285625
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Energy: 0.5905472483276284
Energy: 0.7395736707605688
Energy: 0.6331303719265795
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Energy: 0.7395736707602574
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Energy: 0.6386465642984062
Energy: 0.5746178737512506
Energy: 0.6467047313220908
Energy: 0.6386465642988874
Energy: 0.5746178737528077
Energy: 0.6467047313234779
Energy: 0.6386465642995103
Energy: 0.5746178737521849
Energy: 0.6467047313227136
Energy: 0.6435351108673796
Energy: 0.6857361923500914
Energy: 0.6161440431587252
Energy: 0.6435351108668983
Energy: 0.6860361050310877
Energy: 0.6161440431577909
Energy: 0.6435351108673796
Energy: 0.6857361923494686
Energy: 0.6161440431585553
Energy: 0.6435351108675211
Energy: 0.6539632929489069
Energy: 0.6306545729676548
Energy: 0.6236662898804292
Energy: 0.6536687082197707
Energy: 0.6424579311642776
Energy: 0.6236662898707755
Energy: 0.662127924040703
Energy: 0.6306545729774499
Energy: 0.6236662899050301
Energy: 0.67196565163418
Energy: 0.6539470658583684
Energy: 0.5949704159684881
Energy: 0.6491015474999614
Energy: 0.6539470658589911
Energy: 0.5950707040681678
Energy: 0.6491015475002728
Energy: 0.6539470658575757
Energy: 0.5949704159675541
Energy: 0.6491015474990272
Energy: 0.6539470658575757

minimum gb energy = 0.5560116543176021 eV
minimum distance =  2.49997986097444 Angstroms
sigma value = 165


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

Energy: 0.5956326368484054
Energy: 0.6210311439408674
Energy: 0.6574722986226806
Energy: 0.5732563470496669
Energy: 0.6210311439419365
Energy: 0.6574722985441532
Energy: 0.5956326368494745
Energy: 0.621031143941402
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Energy: 0.6817845462247705
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Energy: 0.6946020010596118
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Energy: 0.6817845462263741
Energy: 0.6247277206231756
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Energy: 0.7177725040987536
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Energy: 0.6234182482585401
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Energy: 0.6531065536153516
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Energy: 0.6160474858169332
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Energy: 0.6156118927870844
Energy: 0.6984951461593968
Energy: 0.5796773318561821
Energy: 0.6977551098364773
Energy: 0.6984951461599314
Energy: 0.579677331855113
Energy: 0.6977551098359429
Energy: 0.6984951461599314
Energy: 0.5796773318561821
Energy: 0.6977551098354082
Energy: 0.6984951461588622
Energy: 0.6458740921036514
Energy: 0.5817161354805096
Energy: 0.6530960111403069
Energy: 0.6458740921036514
Energy: 0.5817161354815786
Energy: 0.6530960113850003
Energy: 0.645874092103117
Energy: 0.5817161354815786
Energy: 0.6530960117039935
Energy: 0.6458740921036514
Energy: 0.656064822621777
Energy: 0.6658362894743045
Energy: 0.68811413731751
Energy: 0.656064822621777
Energy: 0.6658362894753735
Energy: 0.68811413731751
Energy: 0.6560648226212425
Energy: 0.665836289474839
Energy: 0.6881141373185792
Energy: 0.6560648226223116
Energy: 0.5732563470491323
Energy: 0.621031143941402
Energy: 0.6574722985484296
Energy: 0.5732563470502015
Energy: 0.621031143942471
Energy: 0.6574722984271397
Energy: 0.5732563470491323
Energy: 0.6210311439408674
Energy: 0.6574722986013237
Energy: 0.5732563470502015

minimum gb energy = 0.5732563470491323 eV
minimum distance =  2.58518029036771 Angstroms
sigma value = 41


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

Energy: 0.6546179044432885
Energy: 0.5988293205934964
Energy: 0.5742715736959664
Energy: 0.6260750423201865
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Energy: 0.6295473269122469
Energy: 0.6224547790801506
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Energy: 0.6564877577727984
Energy: 0.6224547790768323
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Energy: 0.6255392278608821
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Energy: 0.6112061593502249
Energy: 0.6024931707418865
Energy: 0.5972431358645447
Energy: 0.611206159349584
Energy: 0.6363421856658158
Energy: 0.6161226824230153
Energy: 0.6146377222798728
Energy: 0.6363421857310883
Energy: 0.6161226824259188
Energy: 0.614637722280099
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Energy: 0.6161226824259188
Energy: 0.6146377222811171
Energy: 0.6363421861589598
Energy: 0.5996176689118652
Energy: 0.5750335284766782
Energy: 0.6406494031260627
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Energy: 0.5750335284273563
Energy: 0.6264230357537461
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Energy: 0.5750335285036394
Energy: 0.6406494031241774
Energy: 0.5996176689118652
Energy: 0.5337130701219566
Energy: 0.6186265627641264
Energy: 0.6084096019250196
Energy: 0.533713070121127
Energy: 0.619867901839088
Energy: 0.6033005132979428
Energy: 0.5337130701213155
Energy: 0.6186265627921057
Energy: 0.6084096019364073
Energy: 0.5337130701182234
Energy: 0.559955555043819
Energy: 0.5559301080702057
Energy: 0.5554760617472991
Energy: 0.5599555550417452
Energy: 0.5556845948953454
Energy: 0.5561400846371448
Energy: 0.5599555550456669
Energy: 0.5559301080691875
Energy: 0.5554760617483172
Energy: 0.5599555550467227
Energy: 0.5406808497348434
Energy: 0.5645641554797671
Energy: 0.5557501827569167
Energy: 0.5406808497356731
Energy: 0.5643630368324606
Energy: 0.5557501833164264
Energy: 0.5406808497342402
Energy: 0.5645641554793523
Energy: 0.5557501838061012
Energy: 0.5406808497321663
Energy: 0.6248090928643273
Energy: 0.5551884396382313
Energy: 0.5829807947240132
Energy: 0.6248090928643273
Energy: 0.5554745267520611
Energy: 0.5829807947240132
Energy: 0.624809092866175
Energy: 0.5551884396374017
Energy: 0.5829807947248428
Energy: 0.6248090928653454
Energy: 0.6530948978025728
Energy: 0.6103951619139982
Energy: 0.5493454987107007
Energy: 0.6530948978015171
Energy: 0.6103951619129424
Energy: 0.5493454987100597
Energy: 0.6530948978019318
Energy: 0.6103951619141866
Energy: 0.5493454987079857
Energy: 0.6530948978025728

minimum gb energy = 0.5337130701182234 eV
minimum distance =  2.49771447351906 Angstroms
sigma value = 185


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

Energy: 0.5704784009539111
Energy: 0.3404167423178672
Energy: 0.3410874042523473
Energy: 0.4437217101195149
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Energy: 0.33534312796038307
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Energy: 0.35157737494862956
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Energy: 0.3515773749481372
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Energy: 0.4289986540136616
Energy: 0.34041674231762103
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Energy: 0.42619528193796546
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Energy: 0.43289827114909335
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Energy: 0.42349714016359713
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Energy: 0.43711494189578015
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Energy: 0.4027843668557235
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Energy: 0.4143025762077284
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Energy: 0.5022522936853006
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Energy: 0.5022522936882549
Energy: 0.44783067835143275
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Energy: 0.3412128967526597
Energy: 0.45200482239341905
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Energy: 0.3412128967524135
Energy: 0.4349376948128999
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Energy: 0.3412128967531521
Energy: 0.4520048223944037
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Energy: 0.3412128967514288
Energy: 0.46818499965549565
Energy: 0.44459453510040436
Energy: 0.34887317978814686
Energy: 0.46818500395275103
Energy: 0.42440927501126563
Energy: 0.3488731797901163
Energy: 0.46818499911856254
Energy: 0.4445945351006506
Energy: 0.34887317978937776
Energy: 0.46818500323001416
Energy: 0.38964484396640625
Energy: 0.4421873512242528
Energy: 0.34100077713222016
Energy: 0.40127292013765076
Energy: 0.4586977108137212
Energy: 0.34100077713074295
Energy: 0.38964484396665244
Energy: 0.44218735122499137
Energy: 0.34100077713123533
Energy: 0.4012729201386355
Energy: 0.450767444822086
Energy: 0.41592411843414223
Energy: 0.3354376360072355
Energy: 0.4502866501599668
Energy: 0.41533133928956195
Energy: 0.33543763600649695
Energy: 0.4507674448211013
Energy: 0.4159241184356194
Energy: 0.33543763600526605
Energy: 0.4502866501584897
Energy: 0.4455874921706823
Energy: 0.5106569127719445
Energy: 0.35157737494862956
Energy: 0.4311359717694682
Energy: 0.5106569127702212
Energy: 0.35157737494838337
Energy: 0.44558749217092847
Energy: 0.5106569127697288
Energy: 0.3515773749481372
Energy: 0.4311359717692221

minimum gb energy = 0.3353431279601369 eV
minimum distance =  2.63335026040397 Angstroms
sigma value = 33


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

Energy: 0.5509423613018943
Energy: 0.5785355512603215
Energy: 0.5743166577319769
Energy: 0.5225161113027951
Energy: 0.578535551261673
Energy: 0.5743166577333285
Energy: 0.5509423613032214
Energy: 0.5785355512630245
Energy: 0.5743166577319769
Energy: 0.5225161113041465
Energy: 0.5815439482517266
Energy: 0.5111382454283945
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Energy: 0.5673065832646935
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Energy: 0.5815439482463206
Energy: 0.5594275365850864
Energy: 0.503129215834375
Energy: 0.5416898548398076
Energy: 0.5638826638501648
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Energy: 0.5409873350173602
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Energy: 0.511262825497729
Energy: 0.5871180840048751
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Energy: 0.5326519944279887
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Energy: 0.5653581095948133
Energy: 0.5796271963060187
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Energy: 0.5796271963033156
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Energy: 0.5803506926679785
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Energy: 0.5804832202007617
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Energy: 0.5728443915491379
Energy: 0.5804832202007617
Energy: 0.5553640858801066
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Energy: 0.566106001239431
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Energy: 0.5306017526318381
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Energy: 0.5642256126327496
Energy: 0.5306017526331895

minimum gb energy = 0.5031292158330234 eV
minimum distance =  2.49889408886848 Angstroms
sigma value = 219


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

Energy: 0.5888985700907126
Energy: 0.6741851264437636
Energy: 0.6742020501221649
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Energy: 0.7166379053215355
Energy: 0.6800851682449105
Energy: 0.5889229384188477
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Energy: 0.6921263048439672
Energy: 0.6221084993882
Energy: 0.623934301401036
Energy: 0.6921263048439672
Energy: 0.6221084993873055

minimum gb energy = 0.5888985700907126 eV
minimum distance =  2.57416583257547 Angstroms
sigma value = 15


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

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Energy: 0.7131834580122505
Energy: 0.6210625469331534
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minimum gb energy = 0.6208414715223992 eV
minimum distance =  2.50437642331353 Angstroms
sigma value = 293


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

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Energy: 0.6617004656538203
Energy: 0.6542329208613759
Energy: 0.6811189117892864
Energy: 0.7079936142427096
Energy: 0.6774586150948234
Energy: 0.6076813420544475
Energy: 0.7079936142425075
Energy: 0.6774586150962376
Energy: 0.6076931625645805
Energy: 0.7079936142425075
Energy: 0.6774586150968438
Energy: 0.6076813420566698
Energy: 0.7079936142431136
Energy: 0.656951389269867
Energy: 0.687745417309718
Energy: 0.613592043896124
Energy: 0.6569513892688568
Energy: 0.6877454184838266
Energy: 0.6135920438945077
Energy: 0.6569513892692609
Energy: 0.6877454169664079
Energy: 0.6135920438943055
Energy: 0.656951389270069
Energy: 0.6159589563563679
Energy: 0.6170191831748134
Energy: 0.6076389927393859
Energy: 0.6159589563567719
Energy: 0.6170191831744094
Energy: 0.607638992739588
Energy: 0.6159589563563679
Energy: 0.6170191831748134
Energy: 0.6076389927393859
Energy: 0.6159589563559638
Energy: 0.6584560967358949
Energy: 0.659677287943965
Energy: 0.6254050464680483
Energy: 0.6444414180421953
Energy: 0.6596772879918287
Energy: 0.6254050464684523
Energy: 0.658456096734499
Energy: 0.6596772880944065
Energy: 0.6254050464690585
Energy: 0.6444414180417912
Energy: 0.627537883413519
Energy: 0.6837851877735054
Energy: 0.7230642953389531
Energy: 0.6159336213990931
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Energy: 0.7230642953397611
Energy: 0.627537883413721
Energy: 0.6837851877749196
Energy: 0.723064295338549
Energy: 0.6159336213990931
Energy: 0.6477123095305554
Energy: 0.6220296957093571
Energy: 0.6801987776427063
Energy: 0.6477123095309595
Energy: 0.6220296957089531
Energy: 0.6801987792435096
Energy: 0.6477123095265148
Energy: 0.6220296957089531
Energy: 0.6801987788634478
Energy: 0.647712309528535
Energy: 0.6265305632673043
Energy: 0.6078392432899686
Energy: 0.6262601345348285
Energy: 0.6265305632664961
Energy: 0.6078761868653276
Energy: 0.6262601345338183
Energy: 0.6265305632675064
Energy: 0.6078392432889583
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Energy: 0.6265305632673043
Energy: 0.6601406789309651
Energy: 0.6128902851445714
Energy: 0.7000889886384221
Energy: 0.660140678931167
Energy: 0.6129141316160207
Energy: 0.7000889886404423
Energy: 0.660140678930763
Energy: 0.6128902851445714
Energy: 0.7000889886382199
Energy: 0.6601406789313692
Energy: 0.6954205094523582
Energy: 0.6121848843487557
Energy: 0.6625754257246467
Energy: 0.6954205094527621
Energy: 0.6121848843475435
Energy: 0.6625754257246467
Energy: 0.695420509452156
Energy: 0.6121848843479475
Energy: 0.6625754257248486
Energy: 0.6954205094525602
Energy: 0.6781304476220955
Energy: 0.6545221165957519
Energy: 0.661342158272825
Energy: 0.6781304407871176
Energy: 0.6545221165957519
Energy: 0.6614499074004782
Energy: 0.6781304584194285
Energy: 0.6545221165953479
Energy: 0.6613421582720169
Energy: 0.6781304419854518
Energy: 0.6032446462930466
Energy: 0.6026927620006555
Energy: 0.6187675900053665
Energy: 0.6032446462926425
Energy: 0.6026927620002513
Energy: 0.6187675900071848
Energy: 0.603244646295673
Energy: 0.6026927620008575
Energy: 0.6187675900059727
Energy: 0.6032446462952691
Energy: 0.6758383665143014
Energy: 0.6509893922883588
Energy: 0.651160670639869
Energy: 0.6758383665145035
Energy: 0.635145097580614
Energy: 0.6351192658379342
Energy: 0.6758383665140993
Energy: 0.650989392289167
Energy: 0.6511606706410813
Energy: 0.6758383665145035
Energy: 0.6238145870629317
Energy: 0.6325328025884172
Energy: 0.6310370477980062
Energy: 0.6238145870627297
Energy: 0.632532802193607
Energy: 0.631037047797198
Energy: 0.6238145870623256
Energy: 0.6325328033406431
Energy: 0.6310370477980062
Energy: 0.6238145870631339
Energy: 0.6811188965925998
Energy: 0.6617004656546284
Energy: 0.6542329208615779
Energy: 0.6811189394757774
Energy: 0.6617004656538203
Energy: 0.6542329208613759
Energy: 0.6811189357307371
Energy: 0.6617004656538203
Energy: 0.6542329208617799
Energy: 0.6811189162110473
Energy: 0.7079936142433156
Energy: 0.6774586150954295
Energy: 0.6078157898597624
Energy: 0.7079936142429116
Energy: 0.6774586150966416
Energy: 0.6074434247264392
Energy: 0.7079936142429116
Energy: 0.6774586150968438
Energy: 0.6078157898587523
Energy: 0.7079936142439218
Energy: 0.656951389270069
Energy: 0.6877454181179072
Energy: 0.6135920438959219
Energy: 0.6569513892682507
Energy: 0.68774541825158
Energy: 0.6135920438949117
Energy: 0.6569513892674425
Energy: 0.6877454183509437
Energy: 0.6135920438947097
Energy: 0.6569513892692609

minimum gb energy = 0.6026927620000494 eV
minimum distance =  2.5061740930361 Angstroms
sigma value = 293


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

Energy: 0.5943625128511879
Energy: 0.5945147069848742
Energy: 0.5943833117505238
Energy: 0.5943625128515532
Energy: 0.5945147069852392
Energy: 0.5943833117505238
Energy: 0.5943625128515532
Energy: 0.5945147069848742
Energy: 0.5943833117505238
Energy: 0.5943625128511879
Energy: 0.6099889899391381
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6099889899387729
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6099889899391381
Energy: 0.5946456353360439
Energy: 0.6104139546302936
Energy: 0.6099889899387729
Energy: 0.5942387288791336
Energy: 0.594326153652598
Energy: 0.6582690147718058
Energy: 0.5942387288794989
Energy: 0.5943261536522328
Energy: 0.6582690147663284
Energy: 0.5942387288791336
Energy: 0.594326153652598
Energy: 0.658269014844438
Energy: 0.5942387288794989
Energy: 0.658235968492749
Energy: 0.5941826695387585
Energy: 0.5942432683784984
Energy: 0.6582359684960354
Energy: 0.5941826695391237
Energy: 0.5942432683770377
Energy: 0.6582359684909233
Energy: 0.5941826695387585
Energy: 0.5942432683781332
Energy: 0.6582359684905581
Energy: 0.610400501370532
Energy: 0.5945672207300609
Energy: 0.610099985849175
Energy: 0.610400501370532
Energy: 0.5945672207307912
Energy: 0.6100999858495403
Energy: 0.610400501370532
Energy: 0.5945672207300609
Energy: 0.610099985849175
Energy: 0.610400501370532
Energy: 0.5945147069852392
Energy: 0.5943833117505238
Energy: 0.5943625128515532
Energy: 0.5945147069848742
Energy: 0.5943833117505238
Energy: 0.5943625128515532
Energy: 0.5945147069856044
Energy: 0.5943833117501587
Energy: 0.5943625128515532
Energy: 0.5945147069848742
Energy: 0.594645635336409
Energy: 0.6104139546306587
Energy: 0.6099889899391381
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6099889899387729
Energy: 0.594645635336409
Energy: 0.6104139546306587
Energy: 0.6099889899391381
Energy: 0.5946456353360439
Energy: 0.5943261536522328
Energy: 0.6582690147615814
Energy: 0.5942387288791336
Energy: 0.594326153652598
Energy: 0.6582690148805717
Energy: 0.5942387288794989
Energy: 0.5943261536522328
Energy: 0.658269014772901
Energy: 0.5942387288787686
Energy: 0.594326153652598
Energy: 0.5941826695387585
Energy: 0.594243268377768
Energy: 0.6582359684938445
Energy: 0.5941826695387585
Energy: 0.594243268377768
Energy: 0.6582359684912884
Energy: 0.5941826695387585
Energy: 0.594243268377768
Energy: 0.6582359684923839
Energy: 0.5941826695387585
Energy: 0.5945672207304261
Energy: 0.6100999858495403
Energy: 0.6104005013701669
Energy: 0.5945672207300609
Energy: 0.610099985849175
Energy: 0.610400501370532
Energy: 0.5945672207304261
Energy: 0.610099985849175
Energy: 0.6104005013701669
Energy: 0.5945672207300609
Energy: 0.5943833117505238
Energy: 0.5943625128515532
Energy: 0.5945147069852392
Energy: 0.5943833117505238
Energy: 0.5943625128515532
Energy: 0.5945147069852392
Energy: 0.5943833117505238
Energy: 0.5943625128515532
Energy: 0.5945147069856044
Energy: 0.5943833117501587
Energy: 0.6104139546306587
Energy: 0.6099889899387729
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6099889899391381
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6099889899387729
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6582690147447843
Energy: 0.5942387288791336
Energy: 0.5943261536522328
Energy: 0.6582690147597556
Energy: 0.5942387288787686
Energy: 0.5943261536529632
Energy: 0.6582690147455147
Energy: 0.5942387288794989
Energy: 0.5943261536522328
Energy: 0.6582690147655981
Energy: 0.5942432683781332
Energy: 0.6582359684905581
Energy: 0.5941826695387585
Energy: 0.594243268377768
Energy: 0.658235968490193
Energy: 0.5941826695387585
Energy: 0.5942432683781332
Energy: 0.6582359684898278
Energy: 0.5941826695387585
Energy: 0.594243268377768
Energy: 0.610099985849175
Energy: 0.6104005013701669
Energy: 0.5945672207304261
Energy: 0.6100999858495403
Energy: 0.6104005013701669
Energy: 0.5945672207296957
Energy: 0.610099985849175
Energy: 0.610400501370532
Energy: 0.5945672207304261
Energy: 0.6100999858495403
Energy: 0.5943625128515532
Energy: 0.5945147069848742
Energy: 0.5943833117505238
Energy: 0.5943625128515532
Energy: 0.5945147069852392
Energy: 0.5943833117501587
Energy: 0.5943625128511879
Energy: 0.5945147069848742
Energy: 0.5943833117505238
Energy: 0.5943625128511879
Energy: 0.6099889899391381
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6099889899387729
Energy: 0.594645635336409
Energy: 0.6104139546306587
Energy: 0.6099889899387729
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6099889899387729
Energy: 0.5942387288791336
Energy: 0.5943261536529632
Energy: 0.6582690147436887
Energy: 0.5942387288794989
Energy: 0.594326153652598
Energy: 0.6582690147451494
Energy: 0.5942387288791336
Energy: 0.5943261536529632
Energy: 0.6582690147801876
Energy: 0.5942387288794989
Energy: 0.6582359684971308
Energy: 0.5941826695387585
Energy: 0.5942432683781332
Energy: 0.6582359684938445
Energy: 0.5941826695387585
Energy: 0.594243268377768
Energy: 0.6582359684964005
Energy: 0.5941826695387585
Energy: 0.5942432683781332
Energy: 0.658235968490193
Energy: 0.610400501370532
Energy: 0.5945672207296957
Energy: 0.6100999858495403
Energy: 0.610400501370532
Energy: 0.5945672207304261
Energy: 0.6100999858495403
Energy: 0.610400501370532
Energy: 0.5945672207300609
Energy: 0.6100999858495403
Energy: 0.610400501370532
Energy: 0.5945147069856044
Energy: 0.5943833117501587
Energy: 0.5943625128515532
Energy: 0.5945147069848742
Energy: 0.5943833117505238
Energy: 0.5943625128511879
Energy: 0.5945147069856044
Energy: 0.5943833117501587
Energy: 0.5943625128511879
Energy: 0.5945147069848742
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6099889899391381
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6099889899387729
Energy: 0.5946456353360439
Energy: 0.6104139546306587
Energy: 0.6099889899391381
Energy: 0.5946456353360439

minimum gb energy = 0.5941826695387585 eV
minimum distance =  2.59985834452282 Angstroms
sigma value = 15


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

Energy: 0.6383101581818116
Energy: 0.6783596432206869
Energy: 0.6434189197821354
Energy: 0.6200319403517773
Energy: 0.678359502219093
Energy: 0.6433523366453531
Energy: 0.6383101581834667
Energy: 0.6783597381228901
Energy: 0.6436638651970888
Energy: 0.6200319403517773
Energy: 0.6926958438535701
Energy: 0.6106000442318781
Energy: 0.5960328168285519
Energy: 0.6926958438486345
Energy: 0.6106000442318781
Energy: 0.5960328168318624
Energy: 0.6926958438519148
Energy: 0.6106000442318781
Energy: 0.5960328168285519
Energy: 0.6926958438403583
Energy: 0.6249808900548974
Energy: 0.6302630253628526
Energy: 0.7627141726162161
Energy: 0.6249808900548974
Energy: 0.6302630253645077
Energy: 0.7627141726162161
Energy: 0.6249808900548974
Energy: 0.6302630253645077
Energy: 0.7627141726162161
Energy: 0.6249808900532421
Energy: 0.597161507517593
Energy: 0.6304407215403225
Energy: 0.5974193074738019
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Energy: 0.6304407215403225
Energy: 0.5974193074721466
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Energy: 0.6304407215386673
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Energy: 0.6102956810123824
Energy: 0.6368294268150922
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Energy: 0.6102956810090719
Energy: 0.6368294268150922
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Energy: 0.637737625124229
Energy: 0.6017675602737615
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Energy: 0.6017675602737615
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Energy: 0.6309301345187349
Energy: 0.6645454934242239
Energy: 0.6673273999182963
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Energy: 0.6126924721410609
Energy: 0.7166585433810332
Energy: 0.708574150478147
Energy: 0.6126924721443714
Energy: 0.716658543364511
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Energy: 0.6126924721394057
Energy: 0.716658543364511
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Energy: 0.7687808909928653
Energy: 0.6204755523206246
Energy: 0.6206172169335405
Energy: 0.7687812049196363
Energy: 0.6204935849936873
Energy: 0.6206847678114862
Energy: 0.7687806539987188
Energy: 0.6204755523222798
Energy: 0.6206172169335405
Energy: 0.7687811474406153
Energy: 0.6107520310797859
Energy: 0.6783056568996274
Energy: 0.6825064886380964
Energy: 0.6108280425513103
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Energy: 0.6829620648972943
Energy: 0.6107520310814412
Energy: 0.6783056568996274
Energy: 0.6825064886397516
Energy: 0.6108280425546209
Energy: 0.6236598738643144
Energy: 0.5961840179293341
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Energy: 0.6236598738643144
Energy: 0.5961840220043759
Energy: 0.6338189624579712
Energy: 0.6236598738643144
Energy: 0.6585359549560618
Energy: 0.6002223559922346
Energy: 0.693028131350183
Energy: 0.6585359549577171
Energy: 0.6001987320053284
Energy: 0.6930281313485279
Energy: 0.6585359549544065
Energy: 0.6002223559922346
Energy: 0.693028131350183
Energy: 0.6585359549577171
Energy: 0.6386624183446044
Energy: 0.5973965268657756
Energy: 0.6459566109647451
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Energy: 0.64595661096309
Energy: 0.6386624183412939
Energy: 0.5973965268641204
Energy: 0.6459566109614346
Energy: 0.6386624183429491
Energy: 0.6023973846859729
Energy: 0.5991288998932127
Energy: 0.6574067711279421
Energy: 0.6023973846892835
Energy: 0.5991288998915575
Energy: 0.6574067712139844
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Energy: 0.5991288998932127
Energy: 0.6574067712735427
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Energy: 0.6709386782357002
Energy: 0.6635100974798626
Energy: 0.6095351421298101
Energy: 0.6709559994730898
Energy: 0.6635108198667312
Energy: 0.6095348384923804
Energy: 0.6711496731281804
Energy: 0.6635104322285762
Energy: 0.6095351421298101
Energy: 0.6709596207668624
Energy: 0.605424501742672
Energy: 0.6931738458483773
Energy: 0.6922895150499905
Energy: 0.6054245017410169
Energy: 0.6931738458467219
Energy: 0.6922895150516457
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Energy: 0.6931738458467219
Energy: 0.6922895150483352
Energy: 0.605424501742672
Energy: 0.6245177163396793
Energy: 0.7318593166445221
Energy: 0.6643882467408001
Energy: 0.60626166328232
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Energy: 0.7318593166445221
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Energy: 0.5958719960151531
Energy: 0.6662030576234984
Energy: 0.6122217336439207
Energy: 0.5958719958530001
Energy: 0.6662030591274464
Energy: 0.612221733645576
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Energy: 0.6662030579130446
Energy: 0.6067470955143527
Energy: 0.6991006137833558
Energy: 0.6373504865823787
Energy: 0.6067470955143527
Energy: 0.6991006137850109
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Energy: 0.6067470955160078
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Energy: 0.6861849217391691
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Energy: 0.6213060452364632
Energy: 0.686184718093163
Energy: 0.608841522306868
Energy: 0.6213060452364632
Energy: 0.6861847307401931
Energy: 0.608841522306868
Energy: 0.6213060452348079
Energy: 0.6861851618669191
Energy: 0.6233456422959045
Energy: 0.6113854180746813
Energy: 0.6585484781767789
Energy: 0.6233456422992149
Energy: 0.6113854180746813
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Energy: 0.6585484782346821
Energy: 0.6233456422975597
Energy: 0.6734461763809956
Energy: 0.7212631813198749
Energy: 0.6022503962292739
Energy: 0.673446181999681
Energy: 0.7212631700527099
Energy: 0.6022503962259635
Energy: 0.6734462374734582
Energy: 0.7212631816309089
Energy: 0.6022503962276187
Energy: 0.6734462433237863
Energy: 0.6303606328225205
Energy: 0.6305285703522678
Energy: 0.6033826743240093
Energy: 0.6302584457767588
Energy: 0.6308396049144644
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Energy: 0.6305285703522678
Energy: 0.6033826743240093
Energy: 0.6302584457767588
Energy: 0.5995257215344205
Energy: 0.6421854711972915
Energy: 0.5961447894506882
Energy: 0.5995257215360759
Energy: 0.6421854721453208
Energy: 0.5961447894490329
Energy: 0.5995257215344205
Energy: 0.6421854716837205
Energy: 0.5961447894506882
Energy: 0.5995257215344205
Energy: 0.6111301550717071
Energy: 0.6235077872764284
Energy: 0.6571868000688122
Energy: 0.6111301550683966
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Energy: 0.6111301550717071
Energy: 0.6235077872764284
Energy: 0.657186800067157
Energy: 0.6111301550717071
Energy: 0.6112359842127193
Energy: 0.6241364042157493
Energy: 0.6533686250848469
Energy: 0.6110687105203031
Energy: 0.6241364041809895
Energy: 0.6496231653275405
Energy: 0.6112359842127193
Energy: 0.624136404227336
Energy: 0.6533686250865022
Energy: 0.6110687105219582
Energy: 0.6435726903123743
Energy: 0.5946403726168835
Energy: 0.6366234608950377
Energy: 0.6435726903140294
Energy: 0.5946403726185387
Energy: 0.636623460896693
Energy: 0.6435726903123743
Energy: 0.5946403726168835
Energy: 0.6366234609000034
Energy: 0.6435726903123743
Energy: 0.7002943016948984
Energy: 0.604142374996885
Energy: 0.7000420296817728
Energy: 0.7002943016948984
Energy: 0.6041423749935745
Energy: 0.7000420296801174
Energy: 0.7002943016948984
Energy: 0.6041423749952296
Energy: 0.7000420296784622
Energy: 0.7002943016965536
Energy: 0.7462024870916932
Energy: 0.6000208506461061
Energy: 0.6462292201439855
Energy: 0.7386260535696906
Energy: 0.5999993338241932
Energy: 0.6462292195384398
Energy: 0.7462024870916932
Energy: 0.6000208506477612
Energy: 0.6462292183355945
Energy: 0.7386260535680352
Energy: 0.6024849973293736
Energy: 0.6007099595447833
Energy: 0.6175562889799788
Energy: 0.6024849967684893
Energy: 0.6007099595431282
Energy: 0.6175562889783236
Energy: 0.6024849962357437
Energy: 0.6007099595398177
Energy: 0.6175562889766684
Energy: 0.602484996526945
Energy: 0.6630257755546652
Energy: 0.666856883107314
Energy: 0.6098268655739355
Energy: 0.6630257755546652
Energy: 0.666856883100693
Energy: 0.609743144945433
Energy: 0.6630257755563205
Energy: 0.6668568831056588
Energy: 0.6098268655722802
Energy: 0.6630257755546652
Energy: 0.5993972626102929
Energy: 0.6030955011183933
Energy: 0.6010715005958356
Energy: 0.5993972626102929
Energy: 0.6030955011167379
Energy: 0.6010715005974909
Energy: 0.5993972626086377
Energy: 0.6030955011167379
Energy: 0.6010715005941805
Energy: 0.5993972626086377
Energy: 0.6383429755543129
Energy: 0.6561029996601163
Energy: 0.62278384053673
Energy: 0.6200371314151653
Energy: 0.6561029996601163
Energy: 0.6227838405350747
Energy: 0.6383429755559681
Energy: 0.6561029996601163
Energy: 0.6227838405334196
Energy: 0.62003713141351
Energy: 0.6384518890095452
Energy: 0.6959880620796721
Energy: 0.6816334847725111
Energy: 0.6200680012721616
Energy: 0.6959880620912287
Energy: 0.6634007144241586
Energy: 0.6384518890112004
Energy: 0.6959880620846077
Energy: 0.6816334847725111
Energy: 0.6200680012705064
Energy: 0.5970461154751424
Energy: 0.7076882312181308
Energy: 0.6029798527578127
Energy: 0.5970461154751424
Energy: 0.7076882312181308
Energy: 0.6030000119072424
Energy: 0.5970461154751424
Energy: 0.7076882312164755
Energy: 0.6028862521205788
Energy: 0.5970461154751424
Energy: 0.7246348470417939
Energy: 0.6104769858338563
Energy: 0.6030108095654668
Energy: 0.7246348470401388
Energy: 0.6104769858355115
Energy: 0.6030108095538802
Energy: 0.7246348470401388
Energy: 0.6104769858355115
Energy: 0.6030108100221014
Energy: 0.7246348470401388
Energy: 0.6031577711745605
Energy: 0.6998645578536159
Energy: 0.6062725190979417
Energy: 0.6031577711762158
Energy: 0.6998645578536159
Energy: 0.5978096035118515
Energy: 0.6031577711745605
Energy: 0.6998645578552711
Energy: 0.6062725190979417
Energy: 0.6031577711762158
Energy: 0.6794159710280003
Energy: 0.7063024324683969
Energy: 0.6001385260574199
Energy: 0.6794159710280003
Energy: 0.7063024323542457
Energy: 0.6001385260590751
Energy: 0.6794159710346211
Energy: 0.7063024324783282
Energy: 0.6001385260574199
Energy: 0.6794159710346211
Energy: 0.6643360020915369
Energy: 0.6644523828818177
Energy: 0.6027923022014741
Energy: 0.6643360020898816
Energy: 0.6644523828818177
Energy: 0.6027923022031293
Energy: 0.6643360020898816
Energy: 0.664452382883473
Energy: 0.6027923022047844
Energy: 0.6643360020915369
Energy: 0.667043183983826
Energy: 0.6506221727375653
Energy: 0.6307841429411704
Energy: 0.6670431839871364
Energy: 0.6506221731611253
Energy: 0.6307841429395151
Energy: 0.6670431839854811
Energy: 0.6506221747378734
Energy: 0.6307841429411704
Energy: 0.6670431839854811
Energy: 0.6117978731762842
Energy: 0.6603806382447228
Energy: 0.6242234343262244
Energy: 0.6117978731762842
Energy: 0.6603806382447228
Energy: 0.6242234342848735
Energy: 0.611797873174629
Energy: 0.6603806382447228
Energy: 0.6242234343262244
Energy: 0.6117978731762842
Energy: 0.6464798836103003
Energy: 0.6211867813072418
Energy: 0.6208877121620703
Energy: 0.6464800499125453
Energy: 0.6211635521158538
Energy: 0.6208771356280061
Energy: 0.6464790972637382
Energy: 0.6211867813088972
Energy: 0.6208877121620703
Energy: 0.6464795887847178
Energy: 0.6671178744714554
Energy: 0.596502446664523
Energy: 0.6357023047607159
Energy: 0.6671178744698002
Energy: 0.5965024654612987
Energy: 0.6357023047640263
Energy: 0.6671178744747659
Energy: 0.5965023855852724
Energy: 0.6357023047607159
Energy: 0.6671178744714554
Energy: 0.6308050804950364
Energy: 0.6719487331275936
Energy: 0.6303570223657318
Energy: 0.6308050804966916
Energy: 0.6719487329406422
Energy: 0.6303570223640765
Energy: 0.6308050804950364
Energy: 0.6719487328562551
Energy: 0.6303570223640765
Energy: 0.6308050804950364
Energy: 0.6436545687140036
Energy: 0.6008205975300923
Energy: 0.707895938431113
Energy: 0.6436546397582898
Energy: 0.6008095653396601
Energy: 0.7078959384327681
Energy: 0.6436545521904997
Energy: 0.600820597526782
Energy: 0.7078959384327681
Energy: 0.6436546538381229
Energy: 0.6029196376489223
Energy: 0.6047258107971878
Energy: 0.6472417824375138
Energy: 0.6029196376489223
Energy: 0.6047258219650986
Energy: 0.6472277754961266
Energy: 0.6029196376489223
Energy: 0.6047258229131279
Energy: 0.6472338262303158
Energy: 0.6029196376489223
Energy: 0.6806530491714233
Energy: 0.6309049796914504
Energy: 0.6101446530557203
Energy: 0.6806530491714233
Energy: 0.6309049796914504
Energy: 0.6101660679884356
Energy: 0.6806530491730787
Energy: 0.6309049796914504
Energy: 0.6101446530573756
Energy: 0.6806530491697681
Energy: 0.597617655709311
Energy: 0.5920302208894684
Energy: 0.6060708133552468
Energy: 0.5976176557109362
Energy: 0.5920302208894684
Energy: 0.6060708183783179
Energy: 0.597617655709311
Energy: 0.5920302208894684
Energy: 0.6060707579757579
Energy: 0.597617655709311
Energy: 0.6205297190596054
Energy: 0.6685131093012647
Energy: 0.6842662779141179
Energy: 0.6019224749133838
Energy: 0.6685131092996095
Energy: 0.6842631443657904
Energy: 0.6205297190612608
Energy: 0.6685131093045753
Energy: 0.6842662767294801
Energy: 0.6019224749166642

minimum gb energy = 0.5920302208894684 eV
minimum distance =  2.53299534715404 Angstroms
sigma value = 437


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

Energy: 0.5780220598695381
Energy: 0.6274621271087995
Energy: 0.6271491656181286
Energy: 0.578022059868935
Energy: 0.6274621271094023
Energy: 0.6271491656181286
Energy: 0.5780220598695381
Energy: 0.6274621271094023
Energy: 0.6271491656181286
Energy: 0.578022059868332
Energy: 0.668198420016859
Energy: 0.5722010968032927
Energy: 0.6596980909454383
Energy: 0.668198420015653
Energy: 0.5722010968026896
Energy: 0.6596980909454383
Energy: 0.668198420015653
Energy: 0.5722010968026896
Energy: 0.6596980909466444
Energy: 0.668198420016256
Energy: 0.6707435984084223
Energy: 0.5622339131591925
Energy: 0.633331035422275
Energy: 0.6707435984078192
Energy: 0.5622339131585893
Energy: 0.6333325772177705
Energy: 0.6707435984084223
Energy: 0.5622339131591925
Energy: 0.633332300435785
Energy: 0.6707435984078192
Energy: 0.6440981659794038
Energy: 0.6900774160616902
Energy: 0.6184362495415096
Energy: 0.6440981659794038
Energy: 0.6900774160616902
Energy: 0.6184362495403034
Energy: 0.6440981659794038
Energy: 0.6900774160616902
Energy: 0.6184362495415096
Energy: 0.6440981659788009
Energy: 0.6487669126832584
Energy: 0.5825694123574259
Energy: 0.7915523995945578
Energy: 0.6487669126856703
Energy: 0.5825694123580288
Energy: 0.7915523995951608
Energy: 0.6487669126850674
Energy: 0.5825694123574259
Energy: 0.7915523995945578
Energy: 0.6487669126856703
Energy: 0.6481214578412466
Energy: 0.6901020212157428
Energy: 0.572984251766732
Energy: 0.6481214578424528
Energy: 0.690102021216346
Energy: 0.572984251766732
Energy: 0.6481214578412466
Energy: 0.6901020212157428
Energy: 0.572984251766732
Energy: 0.6481214578424528
Energy: 0.6523307210812116
Energy: 0.5884128204293813
Energy: 0.5622854099031432
Energy: 0.6879375649233316
Energy: 0.5884128204299843
Energy: 0.5622854099043493
Energy: 0.7067401995715623
Energy: 0.5884128204293813
Energy: 0.5622854099037463
Energy: 0.7067401995721653
Energy: 0.6297334789349327
Energy: 0.7010313347315399
Energy: 0.6242914683447458
Energy: 0.6297334789355082
Energy: 0.7010313347309369
Energy: 0.6242914683435398
Energy: 0.6297334789349327
Energy: 0.7010313347315399
Energy: 0.6242914683447458
Energy: 0.6297334789355082
Energy: 0.6547535418181095
Energy: 0.6599500844877706
Energy: 0.582060515338255
Energy: 0.6547535418175066
Energy: 0.6599500844871675
Energy: 0.582060515338255
Energy: 0.6547535418181095
Energy: 0.6599500844877706
Energy: 0.582060515338255
Energy: 0.6547535418181095
Energy: 0.6275965819295143
Energy: 0.6634681084061502
Energy: 0.6526974451781279
Energy: 0.6275965819301174
Energy: 0.6634681084073563
Energy: 0.6548453111402416
Energy: 0.6275965819295143
Energy: 0.6634681084061502
Energy: 0.6548331407045517
Energy: 0.6275965819295143
Energy: 0.5648896150474274
Energy: 0.564304666497434
Energy: 0.6128872896569133
Energy: 0.5648896150474274
Energy: 0.564304666498037
Energy: 0.6128872896575165
Energy: 0.5648896150474274
Energy: 0.564304666498037
Energy: 0.6128872896563103
Energy: 0.5648896150468243
Energy: 0.6463303934483174
Energy: 0.5745230657132695
Energy: 0.5687536189888203
Energy: 0.6463303934477143
Energy: 0.5745230657132695
Energy: 0.5688949080519207
Energy: 0.6463303934477143
Energy: 0.5745230657132695
Energy: 0.5689141187882866
Energy: 0.6463303934477143
Energy: 0.5818431310830825
Energy: 0.6162045490349745
Energy: 0.5818999989543204
Energy: 0.5818431310824795
Energy: 0.6162045490337684
Energy: 0.5818999989543204
Energy: 0.5818431310836856
Energy: 0.6162045490343715
Energy: 0.5818999989543204
Energy: 0.5818431310830825
Energy: 0.5782440658144486
Energy: 0.6058345889842224
Energy: 0.6239834883059213
Energy: 0.5782440658138457
Energy: 0.6058345889842224
Energy: 0.6239834883077304
Energy: 0.5782440658144486
Energy: 0.6058345889842224
Energy: 0.6239834883065243
Energy: 0.5782440658138457

minimum gb energy = 0.5622339131585893 eV
minimum distance =  2.544795469372 Angstroms
sigma value = 33