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=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999177455902
cohesive_energy=3.3532637165796326
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: 0.011681528472951293
Energy: 0.17506688379313826
Energy: 0.17506688379198657
Energy: 0.011681528472951293
Energy: 0.17506688379313826
Energy: 0.17506688379198657
Energy: 0.011681528472951293
Energy: 0.17506688379313826
Energy: 0.17506688379198657
Energy: 0.011681528472951293
Energy: 0.17521211063229966
Energy: 0.012165034980088685
Energy: 0.17505484985670258
Energy: 0.17521211063229966
Energy: 0.012165034980088685
Energy: 0.17505484985785427
Energy: 0.17521211063229966
Energy: 0.012165034980088685
Energy: 0.17505484985670258
Energy: 0.17521211063229966
Energy: 0.9232465806366882
Energy: 0.32969014301641275
Energy: 0.012454556897929544
Energy: 0.7285092498980078
Energy: 0.3986529029435079
Energy: 0.012454556897929544
Energy: 0.8699764451323303
Energy: 0.32969014301641275
Energy: 0.012454556897929544
Energy: 0.5096166238406775
Energy: 0.17521211063229966
Energy: 0.17505484985670258
Energy: 0.012165034980088685
Energy: 0.17521211063229966
Energy: 0.17505484985670258
Energy: 0.012165034980088685
Energy: 0.17521211063229966
Energy: 0.17505484985670258
Energy: 0.012165034980088685
Energy: 0.17521211063229966
Energy: 0.011681528472951293
Energy: 0.17506688379313826
Energy: 0.17506688379313826
Energy: 0.011681528472951293
Energy: 0.17506688379198657
Energy: 0.17506688379313826
Energy: 0.011681528472951293
Energy: 0.17506688379313826
Energy: 0.17506688379198657
Energy: 0.011681528472951293
Energy: 0.17521211063229966
Energy: 0.012165034980088685
Energy: 0.17505484985670258
Energy: 0.17521211063229966
Energy: 0.012165034980088685
Energy: 0.17505484985670258
Energy: 0.17521211063229966
Energy: 0.012165034980088685
Energy: 0.17505484985670258
Energy: 0.17521211063229966
Energy: 0.5096198325757296
Energy: 0.47520890108247427
Energy: 0.012454556897929544
Energy: 0.8321973353606045
Energy: 0.47520890108247427
Energy: 0.012454556897929544
Energy: 0.7727580717152879
Energy: 0.47520890108247427
Energy: 0.012454556897929544
Energy: 0.573329208121173

minimum gb energy = 0.011681528472951293 eV
minimum distance =  2.56012093573669 Angstroms
sigma value = 3


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

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Energy: 0.6913986858884625
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Energy: 0.5548059779871894
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Energy: 0.5711371690850067
Energy: 0.626331686312939
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Energy: 0.7272861051250026
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Energy: 0.7272861051247204
Energy: 0.6263316863143497
Energy: 0.5596390266798918
Energy: 0.7272861051258489
Energy: 0.6263316863143497
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Energy: 0.6921993705685868
Energy: 0.6890823873603191
Energy: 0.6143700290707347
Energy: 0.6921993705674584
Energy: 0.6890823873425469
Energy: 0.6477128394667576
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Energy: 0.6890823873873752
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Energy: 0.5354108801490283
Energy: 0.6881183684804905
Energy: 0.6088211792638409
Energy: 0.535410880148182
Energy: 0.68811836847908

minimum gb energy = 0.5140965356638783 eV
minimum distance =  2.41195706964528 Angstroms
sigma value = 75


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

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minimum gb energy = 0.48149465000991876 eV
minimum distance =  2.39426738120505 Angstroms
sigma value = 105


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

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Energy: 0.663182246005807
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Energy: 0.6836421074332673
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Energy: 0.6175830836539105
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Energy: 0.6892656760402416
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Energy: 0.6091155493369301
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Energy: 0.6447166416580756
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Energy: 0.6062632135161296
Energy: 0.6266824740047556
Energy: 0.6308788987494864
Energy: 0.6305216505466437
Energy: 0.626682474004925
Energy: 0.6308587493571667
Energy: 0.6305216505475755
Energy: 0.6266824740046143
Energy: 0.6308788987504182
Energy: 0.6305216505475755
Energy: 0.6266824740046143
Energy: 0.7262459287515615
Energy: 0.6298731673188079
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Energy: 0.7262459287529449
Energy: 0.629881885720317
Energy: 0.6627472938144247
Energy: 0.7262459287531143
Energy: 0.6298731673163231
Energy: 0.6627472938147352
Energy: 0.7262459287517026
Energy: 0.6575294074001952
Energy: 0.646786567829506
Energy: 0.5741114274570844
Energy: 0.6575294074009576
Energy: 0.6467865678298166
Energy: 0.5741114274580162
Energy: 0.657529407401127
Energy: 0.6467865678301271
Energy: 0.5741114274583268
Energy: 0.6575294074001952
Energy: 0.6499226648641866
Energy: 0.6894364643149635
Energy: 0.6165631972167965
Energy: 0.6499226648641866
Energy: 0.6890967724430183
Energy: 0.6165631972167965
Energy: 0.6499226648648079
Energy: 0.689436464315133
Energy: 0.6165631972172484
Energy: 0.6499226648649772
Energy: 0.5964319710100898
Energy: 0.6432312030986012
Energy: 0.6418647522620289
Energy: 0.5964319710111627
Energy: 0.6434068041447087
Energy: 0.6418647522620289
Energy: 0.5964319710119533
Energy: 0.6432312030979799
Energy: 0.6418647522610971
Energy: 0.5964319710104005
Energy: 0.6648469368833643
Energy: 0.5884949936108969
Energy: 0.6835692336939909
Energy: 0.6648469368835054
Energy: 0.5884640561713224
Energy: 0.6835692336936803
Energy: 0.6648469368839853
Energy: 0.5884949936102757
Energy: 0.6835692336941603
Energy: 0.6648469368841265

minimum gb energy = 0.5525751624993333 eV
minimum distance =  2.34575064614078 Angstroms
sigma value = 165


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

Energy: 0.5695628603133407
Energy: 0.6870612762507945
Energy: 0.6870878856499637
Energy: 0.5695628603133407
Energy: 0.6870612762507945
Energy: 0.6870878856526292
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Energy: 0.6870612762518608
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Energy: 0.6796597251318506
Energy: 0.6888098645679429
Energy: 0.6319568499374263
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Energy: 0.6319568499374263
Energy: 0.6796597250481993
Energy: 0.6888098645679429
Energy: 0.6319568499368933
Energy: 0.679659725064726
Energy: 0.6078426361445783
Energy: 0.6886487220710031
Energy: 0.5600820423033496
Energy: 0.6078426361509758
Energy: 0.6886249429584692
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Energy: 0.6078426361381809
Energy: 0.7063305607513295
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Energy: 0.5760054737110988
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Energy: 0.7063305607502632
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Energy: 0.5985788607823164
Energy: 0.7833396164283767
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Energy: 0.7833396164283767
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Energy: 0.7833396164278434
Energy: 0.6567101648328618
Energy: 0.5985788607823164
Energy: 0.6124021001755929
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Energy: 0.6264133325599365
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Energy: 0.6119577679178192
Energy: 0.6264133325833937
Energy: 0.6123971896962801
Energy: 0.6119577690672494
Energy: 0.6264133326057606
Energy: 0.6123878940355496
Energy: 0.7062869443022141
Energy: 0.5758910198900318
Energy: 0.6854310290806644
Energy: 0.7062869443027472
Energy: 0.5758910198910981
Energy: 0.6854310290806644
Energy: 0.7062869443027472
Energy: 0.5758910198910981
Energy: 0.6854310290801313
Energy: 0.7062869443022141
Energy: 0.6074899937766951
Energy: 0.5600984124569399
Energy: 0.6884440109784427
Energy: 0.6074899937862911
Energy: 0.5600947781043365
Energy: 0.6884755516660126
Energy: 0.6074899937782943
Energy: 0.5601101229416505
Energy: 0.6884739770518867
Energy: 0.6074899937846918
Energy: 0.6798954243688872
Energy: 0.6319132169806501
Energy: 0.688896835960804
Energy: 0.6798954243534269
Energy: 0.6319132169801169
Energy: 0.688896835960804
Energy: 0.6798954243694204
Energy: 0.6319132169801169
Energy: 0.688896835960804
Energy: 0.6798954243587579
Energy: 0.5695628603138737
Energy: 0.6870612762518608
Energy: 0.6870878856515631
Energy: 0.5695628603133407
Energy: 0.6870612762513276
Energy: 0.6870878856483643
Energy: 0.5695628603133407
Energy: 0.6870612762507945
Energy: 0.68708788565103
Energy: 0.5695628603133407

minimum gb energy = 0.5600758583084745 eV
minimum distance =  2.54413865021286 Angstroms
sigma value = 41


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

Energy: 0.6860030166722278
Energy: 0.6232630518479164
Energy: 0.6171711561755469
Energy: 0.6694873959448168
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Energy: 0.6876740105504012
Energy: 0.6492522613012242
Energy: 0.618280781951724
Energy: 0.6732471829702876
Energy: 0.6492522613016378
Energy: 0.6182807819511222
Energy: 0.6876740105497618
Energy: 0.6492522612993438
Energy: 0.6182807819500692
Energy: 0.6732471829684448
Energy: 0.6249767624472263
Energy: 0.5839075512576153
Energy: 0.6719904499724132
Energy: 0.6249767624462107
Energy: 0.5839075512580288
Energy: 0.6719904499732406
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Energy: 0.5839075512578034
Energy: 0.6719904499713601
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Energy: 0.6232271602342586
Energy: 0.6252215409451746
Energy: 0.6038168323737667
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Energy: 0.6252215409476567
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Energy: 0.6232271602338448
Energy: 0.655856371712478
Energy: 0.6605531259067011
Energy: 0.5599782942147136
Energy: 0.6558563717201501
Energy: 0.6605531259064754
Energy: 0.559955629294131
Energy: 0.6558563717443322
Energy: 0.6605531259067011
Energy: 0.5599782942159546
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Energy: 0.5712578498103783
Energy: 0.6594526277845394
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Energy: 0.5975595174415115
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Energy: 0.6594526277822828
Energy: 0.5975595174417372
Energy: 0.5712578498099645
Energy: 0.5607038295088149
Energy: 0.575931356876629
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Energy: 0.5607038295084011
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Energy: 0.5751898926889223
Energy: 0.5607038295088149
Energy: 0.5759313573782118
Energy: 0.5751898926876813
Energy: 0.5607038295092286
Energy: 0.6404573067289437
Energy: 0.5810614789793956
Energy: 0.5965927722327685
Energy: 0.6404573067285299
Energy: 0.581061478980035
Energy: 0.5965927722342352
Energy: 0.6404573067307865
Energy: 0.5810614789793956
Energy: 0.5965927722321668
Energy: 0.6404573067301847
Energy: 0.6644009211843311
Energy: 0.587908603783124
Energy: 0.6501957078881256
Energy: 0.6644009211843311
Energy: 0.5879086037822967
Energy: 0.6501957078889531
Energy: 0.6644009211841432
Energy: 0.5879086037825223
Energy: 0.650195707889141
Energy: 0.6644009211841432
Energy: 0.6236108105164945
Energy: 0.6220627117439214
Energy: 0.6698866319882463
Energy: 0.6236108105152534
Energy: 0.6220627117439214
Energy: 0.6698866319901268
Energy: 0.6236108105148397
Energy: 0.6220627117426802
Energy: 0.6698866319882463
Energy: 0.6236108105160807
Energy: 0.575862657122294
Energy: 0.676808342083055
Energy: 0.6253593988930294
Energy: 0.5758626571231215
Energy: 0.6848059999110073
Energy: 0.6253593988950978
Energy: 0.5758626571245504
Energy: 0.6768083420838824
Energy: 0.6253593988952859
Energy: 0.5758626571241368
Energy: 0.5688973654365189
Energy: 0.5612506440240042
Energy: 0.5611094798611667
Energy: 0.5688973654369328
Energy: 0.5612586184731289
Energy: 0.5610673636631853
Energy: 0.5688973654355036
Energy: 0.5612506440223493
Energy: 0.5611094798638369
Energy: 0.56889736543509
Energy: 0.5946381770678854
Energy: 0.5797916979079321
Energy: 0.5688673361025903
Energy: 0.5946381770678854
Energy: 0.5880613172842261
Energy: 0.5688673361191381
Energy: 0.5946381770668699
Energy: 0.5797916979081201
Energy: 0.5688673361137601
Energy: 0.594638177067058
Energy: 0.6512721820631564
Energy: 0.5602927823532344
Energy: 0.6130396550431275
Energy: 0.6512721820635702
Energy: 0.5603025655739023
Energy: 0.6130396550383512
Energy: 0.6512721820643975
Energy: 0.5602927823517677
Energy: 0.6130396550427137
Energy: 0.6512721820635702
Energy: 0.6453163116188783
Energy: 0.6290825586075405
Energy: 0.5555838757990045
Energy: 0.6453163116186902
Energy: 0.6290825586081422
Energy: 0.5555838757979892
Energy: 0.6453163116180509
Energy: 0.6290825586081422
Energy: 0.5555838757977635
Energy: 0.6453163116186902

minimum gb energy = 0.5530833313320137 eV
minimum distance =  2.37444773281394 Angstroms
sigma value = 185


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

Energy: 0.49243253547919913
Energy: 0.3686212008232163
Energy: 0.51563246900833
Energy: 0.35597952690848633
Energy: 0.3686212008241984
Energy: 0.5156324690085756
Energy: 0.49243253547846255
Energy: 0.36862120082346184
Energy: 0.5156324690090667
Energy: 0.3559795269087318
Energy: 0.41390437359502147
Energy: 0.3649565085211887
Energy: 0.5411103084312855
Energy: 0.3769016041746948
Energy: 0.3649565085214343
Energy: 0.549317810647764
Energy: 0.41390437359723137
Energy: 0.3649565085211887
Energy: 0.5411103084312855
Energy: 0.37690160417518587
Energy: 0.3742936894077089
Energy: 0.37981982320499197
Energy: 0.35217948290962225
Energy: 0.37600776157689414
Energy: 0.3798198232027822
Energy: 0.354331012368754
Energy: 0.37429368940819996
Energy: 0.37981982320229113
Energy: 0.35217948290937673
Energy: 0.3760077615761575
Energy: 0.43609370201920583
Energy: 0.3701231028150894
Energy: 0.3824798773775541
Energy: 0.43609370201896036
Energy: 0.37012310281459837
Energy: 0.37133855117498143
Energy: 0.4360937020211702
Energy: 0.3701231028148439
Energy: 0.3824798773773086
Energy: 0.4360937020211702
Energy: 0.37046390889203407
Energy: 0.525270987961596
Energy: 0.35566461997282756
Energy: 0.3704639088903153
Energy: 0.5252709879608594
Energy: 0.3812765487087134
Energy: 0.3704639088903153
Energy: 0.5252709879633146
Energy: 0.3556646199720909
Energy: 0.3704639088925251
Energy: 0.4373955557128864
Energy: 0.5348563000977217
Energy: 0.3796333349403809
Energy: 0.4373955557138685
Energy: 0.43665110042581246
Energy: 0.4012470243644996
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Energy: 0.534856300096494
Energy: 0.3796333349411175
Energy: 0.4373955557133775
Energy: 0.37090599403754865
Energy: 0.3768892522643188
Energy: 0.4403652938917688
Energy: 0.3709059940382853
Energy: 0.37803262850889885
Energy: 0.4403652938922598
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Energy: 0.37688925226554654
Energy: 0.4403652938927509
Energy: 0.3709059940373031
Energy: 0.581834847199941
Energy: 0.37841549880293907
Energy: 0.3812635975336322
Energy: 0.5818348472080437
Energy: 0.38070308607690345
Energy: 0.38126359753314115
Energy: 0.5818348472139366
Energy: 0.3784154988022025
Energy: 0.38126359753412326
Energy: 0.581834847200432
Energy: 0.4002692771937351
Energy: 0.3980020542925113
Energy: 0.3700130771676124
Energy: 0.43872342615273424
Energy: 0.3849311300336552
Energy: 0.37001307716638476
Energy: 0.4002692771942262
Energy: 0.39800205429177465
Energy: 0.3700130771661392
Energy: 0.43872342615126103
Energy: 0.3967724790124754
Energy: 0.3711966480501039
Energy: 0.37984425979288466
Energy: 0.3535929314041144
Energy: 0.36061353238088956
Energy: 0.37984425979313025
Energy: 0.3967724790141942
Energy: 0.37119664804961283
Energy: 0.37984425979313025
Energy: 0.3535929314041144
Energy: 0.3743547680348358
Energy: 0.44217875047926264
Energy: 0.3811659431330726
Energy: 0.38539818950192595
Energy: 0.442178750478526
Energy: 0.3811659431338092
Energy: 0.3743547680360635
Energy: 0.44217875047975375
Energy: 0.3811659431345458
Energy: 0.38539818950020716
Energy: 0.3937566783555534
Energy: 0.36862120082346184
Energy: 0.5156324690080845
Energy: 0.385640447615508
Energy: 0.3686212008232163
Energy: 0.51563246900833
Energy: 0.39375667835457123
Energy: 0.3686212008229708
Energy: 0.5156324690085756
Energy: 0.38564044761526245
Energy: 0.40471711953945694
Energy: 0.36495650852094325
Energy: 0.5112236125575346
Energy: 0.39053802208360183
Energy: 0.3649565085211887
Energy: 0.48753814611569457
Energy: 0.4047171195389658
Energy: 0.3649565085211887
Energy: 0.5112236125585168
Energy: 0.3905380220833563
Energy: 0.39685031939175713
Energy: 0.37981982320523755
Energy: 0.37309366117462284
Energy: 0.3535393425898272
Energy: 0.3798198232030277
Energy: 0.3615841779466601
Energy: 0.3968503193922482
Energy: 0.37981982320229113
Energy: 0.3730936611753594
Energy: 0.35353934258909064
Energy: 0.43609370201945136
Energy: 0.3701231028150894
Energy: 0.37133855117424486
Energy: 0.43609370201896036
Energy: 0.3701231028148439
Energy: 0.3985597326985548
Energy: 0.4360937020211702
Energy: 0.37012310281435284
Energy: 0.3713385511759636
Energy: 0.4360937020211702
Energy: 0.37046390889203407
Energy: 0.5252709879660156
Energy: 0.37626099287997244
Energy: 0.37046390889006975
Energy: 0.525270987962087
Energy: 0.37895481793967734
Energy: 0.3704639088903153
Energy: 0.525270987962087
Energy: 0.3762609928804635
Energy: 0.3704639088925251
Energy: 0.4373955557126408
Energy: 0.4415855135409367
Energy: 0.39278523231708123
Energy: 0.4373955557138685
Energy: 0.54121492131128
Energy: 0.37504887772473866
Energy: 0.4373955557141141
Energy: 0.4415855135404456
Energy: 0.3927852323165902
Energy: 0.43739555571313193
Energy: 0.3709059940377942
Energy: 0.39058555719755955
Energy: 0.44036529389201423
Energy: 0.3709059940382853
Energy: 0.3780326285091444
Energy: 0.4403652938922598
Energy: 0.3709059940377942
Energy: 0.3905855571968229
Energy: 0.4403652938927509
Energy: 0.37090599403754865
Energy: 0.5818348472149188
Energy: 0.3821771198784655
Energy: 0.38126359753289557
Energy: 0.5818348472208116
Energy: 0.3554887437173818
Energy: 0.3812635975338778
Energy: 0.581834847231593
Energy: 0.38217711987674674
Energy: 0.3812635975338778
Energy: 0.5818348472122179
Energy: 0.4387234261524887
Energy: 0.38493113003414625
Energy: 0.37001307716736687
Energy: 0.3993264251328587
Energy: 0.39810540606896283
Energy: 0.37001307716638476
Energy: 0.4387234261519976
Energy: 0.3849311300334097
Energy: 0.37001307716638476
Energy: 0.3993264251321221
Energy: 0.37434237680318183
Energy: 0.360147960909524
Energy: 0.37984425979288466
Energy: 0.37601605901990204
Energy: 0.36742227906120756
Energy: 0.3798442597933757
Energy: 0.37434237680391846
Energy: 0.36014796090878737
Energy: 0.3798442597933757
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Energy: 0.40149621661577306
Energy: 0.44217875047950816
Energy: 0.3811659431330726
Energy: 0.3743547680360635
Energy: 0.442178750478526
Energy: 0.3811659431340548
Energy: 0.40149621661626417
Energy: 0.44217875047975375
Energy: 0.3811659431343003
Energy: 0.3743547680355724
Energy: 0.49243253547895355
Energy: 0.3686212008232163
Energy: 0.5156324690080845
Energy: 0.3559795269089774
Energy: 0.36862120082395294
Energy: 0.51563246900833
Energy: 0.49243253547821697
Energy: 0.3686212008229708
Energy: 0.5156324690085756
Energy: 0.3559795269087318
Energy: 0.41390437359502147
Energy: 0.3649565085211887
Energy: 0.541110308431531
Energy: 0.3769016041746948
Energy: 0.3649565085214343
Energy: 0.549317810647764
Energy: 0.4139043735969858
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Energy: 0.5411103084310399
Energy: 0.37690160417543145
Energy: 0.3742936894077089
Energy: 0.37981982320523755
Energy: 0.3521794829101133
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Energy: 0.3798198232025366
Energy: 0.354331012368754
Energy: 0.37429368940819996
Energy: 0.37981982320204555
Energy: 0.35217948290937673
Energy: 0.3760077615761575
Energy: 0.43609370201920583
Energy: 0.3701231028150894
Energy: 0.38247987737706307
Energy: 0.43609370201920583
Energy: 0.37012310281459837
Energy: 0.37133855117498143
Energy: 0.4360937020211702
Energy: 0.37012310281435284
Energy: 0.3824798773773086
Energy: 0.4360937020211702
Energy: 0.3704639088917885
Energy: 0.5252709879613504
Energy: 0.355664619973073
Energy: 0.37046390889006975
Energy: 0.5252709879625781
Energy: 0.3812765487084679
Energy: 0.3704639088903153
Energy: 0.5252709879625781
Energy: 0.3556646199720909
Energy: 0.37046390889203407
Energy: 0.4373955557128864
Energy: 0.5348563000977217
Energy: 0.3796333349401353
Energy: 0.4373955557141141
Energy: 0.43665110042679456
Energy: 0.4012470243644996
Energy: 0.4373955557141141
Energy: 0.5348563000967396
Energy: 0.3796333349411175
Energy: 0.4373955557133775
Energy: 0.3709059940377942
Energy: 0.3768892522643188
Energy: 0.44036529389201423
Energy: 0.3709059940380397
Energy: 0.3780326285091444
Energy: 0.4403652938922598
Energy: 0.3709059940377942
Energy: 0.37688925226554654
Energy: 0.4403652938927509
Energy: 0.3709059940373031
Energy: 0.5818348472136912
Energy: 0.37841549880293907
Energy: 0.3812635975336322
Energy: 0.5818348472090259
Energy: 0.38070308607690345
Energy: 0.3812635975348599
Energy: 0.5818348472053428
Energy: 0.3784154988019569
Energy: 0.3812635975336322
Energy: 0.5818348471987134
Energy: 0.40026927719398064
Energy: 0.39800205429202024
Energy: 0.37001307716736687
Energy: 0.4387234261532253
Energy: 0.3849311300336552
Energy: 0.37001307716638476
Energy: 0.4002692771942262
Energy: 0.39800205429177465
Energy: 0.3700130771661392
Energy: 0.43872342615150656
Energy: 0.3967724790124754
Energy: 0.37119664805034946
Energy: 0.37984425979313025
Energy: 0.3535929314041144
Energy: 0.36061353238088956
Energy: 0.3798442597936213
Energy: 0.3967724790141942
Energy: 0.3711966480498584
Energy: 0.37984425979313025
Energy: 0.3535929314041144
Energy: 0.3743547680348358
Energy: 0.44217875047926264
Energy: 0.3811659431330726
Energy: 0.38539818950192595
Energy: 0.442178750478526
Energy: 0.3811659431340548
Energy: 0.3743547680365546
Energy: 0.44217875047975375
Energy: 0.3811659431345458
Energy: 0.3853981895004527

minimum gb energy = 0.35217948290937673 eV
minimum distance =  2.56699065693981 Angstroms
sigma value = 33


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

Energy: 0.585960471518803
Energy: 0.6002654429109964
Energy: 0.5974578256012334
Energy: 0.5748341680689428
Energy: 0.6002654429096485
Energy: 0.5974578256012334
Energy: 0.5859604715201511
Energy: 0.6002654429096485
Energy: 0.5974578256012334
Energy: 0.5748341680689428
Energy: 0.5912007787225771
Energy: 0.5512573055805393
Energy: 0.5970673223279459
Energy: 0.5912007787212292
Energy: 0.5512573055805393
Energy: 0.5970673223306417
Energy: 0.5912007787212292
Energy: 0.5512573055805393
Energy: 0.5970673223292937
Energy: 0.5912007787225771
Energy: 0.5834227643863492
Energy: 0.5697216826481926
Energy: 0.5981881517103207
Energy: 0.5813561366391666
Energy: 0.5697216826495405
Energy: 0.5861987240487586
Energy: 0.5713270800743206
Energy: 0.5697216826495405
Energy: 0.5981881517116685
Energy: 0.5713270800743206
Energy: 0.6681824149011285
Energy: 0.5510233941328977
Energy: 0.5976832053357521
Energy: 0.6681824149024763
Energy: 0.5510233941234624
Energy: 0.5976832053371001
Energy: 0.6681824149024763
Energy: 0.5510233941315499
Energy: 0.5976832053371001
Energy: 0.6681824149011285
Energy: 0.6071433579021319
Energy: 0.5825188752346085
Energy: 0.5606569164715891
Energy: 0.6071433579021319
Energy: 0.5825188752332607
Energy: 0.5606569164715891
Energy: 0.6071433579007841
Energy: 0.5825188752346085
Energy: 0.5606569164715891
Energy: 0.6071433579021319
Energy: 0.5443491431194141
Energy: 0.6220411485405045
Energy: 0.5841917349695652
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Energy: 0.5867903333351602
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Energy: 0.5335020983870508
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Energy: 0.5338309485727187
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Energy: 0.55350424746255
Energy: 0.5338309485713708
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Energy: 0.55350424746255
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Energy: 0.5909118691397197
Energy: 0.55350424746255
Energy: 0.5875643653999444
Energy: 0.534983370785944
Energy: 0.5950186903749609
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Energy: 0.534983370785944
Energy: 0.5950186903763088
Energy: 0.5875643654012923
Energy: 0.534983370785944
Energy: 0.5950186903763088
Energy: 0.5875643654012923
Energy: 0.6006935826237513
Energy: 0.5515919989488481
Energy: 0.6006910628152494
Energy: 0.6006935826224035
Energy: 0.5515919988949556
Energy: 0.6006910628165728
Energy: 0.6006935826210555
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Energy: 0.6006910628165728
Energy: 0.6006935826224035
Energy: 0.5905104252385301
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Energy: 0.5544099182294213
Energy: 0.590510425239878
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Energy: 0.5957616531956241
Energy: 0.5544099182280735
Energy: 0.5905104252385301
Energy: 0.5320657336588974
Energy: 0.5859917242185877
Energy: 0.5778653930662732
Energy: 0.5320657336588974
Energy: 0.5859846182542376
Energy: 0.5778830835459378
Energy: 0.5320657336588974
Energy: 0.5859917242185877
Energy: 0.5778653930662732
Energy: 0.5320657336588974
Energy: 0.5533051838438119
Energy: 0.5692150610761643
Energy: 0.5713101756791408
Energy: 0.5533051838438119
Energy: 0.5692310705779157
Energy: 0.5712542749428984
Energy: 0.5533051838438119
Energy: 0.5692150610761643
Energy: 0.5713101756791408
Energy: 0.5533051838451597
Energy: 0.5669847853505039
Energy: 0.5963844609409277
Energy: 0.5743647580224981
Energy: 0.5669847853491559
Energy: 0.5963663471667798
Energy: 0.5743647580224981
Energy: 0.5669847853491559
Energy: 0.5963844609395799
Energy: 0.5743647580211503
Energy: 0.5669847853505039
Energy: 0.5996875421708261
Energy: 0.5883553757707332
Energy: 0.5965733016182521
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Energy: 0.5883573120756218
Energy: 0.5965733016169041
Energy: 0.5996875421708261
Energy: 0.5883553757707332
Energy: 0.5965733016182521
Energy: 0.5996875421708261
Energy: 0.5954117040616939
Energy: 0.6063782929128776
Energy: 0.5535457016857152
Energy: 0.5954117040616939
Energy: 0.6063782929142255
Energy: 0.5535457016843673
Energy: 0.5954117040603459
Energy: 0.6063782929155734
Energy: 0.5535457016830193
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Energy: 0.5621640469272522
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Energy: 0.5621640469286001

minimum gb energy = 0.5304506848605146 eV
minimum distance =  2.38326245995059 Angstroms
sigma value = 219


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

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Energy: 0.6425290094345157
Energy: 0.6821666784671051
Energy: 0.6771440762700589
Energy: 0.6425311695498084

minimum gb energy = 0.621514432139347 eV
minimum distance =  2.51636340208922 Angstroms
sigma value = 15


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

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minimum gb energy = 0.6460052524985996 eV
minimum distance =  2.43412172490415 Angstroms
sigma value = 293


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

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Energy: 0.6724137261854656
Energy: 0.6662254487269558
Energy: 0.7163090459523962
Energy: 0.6724137261860702
Energy: 0.6662254487273588
Energy: 0.7272969359659184
Energy: 0.7030028141992142
Energy: 0.6466928681546659
Energy: 0.7272969359667243
Energy: 0.7030028141996172
Energy: 0.6467924217401052
Energy: 0.7272969359679333
Energy: 0.7030028141994158
Energy: 0.6466928681544643
Energy: 0.7272969359669259
Energy: 0.6691225192640988
Energy: 0.7385025650953592
Energy: 0.6378987695784986
Energy: 0.6691225192643002
Energy: 0.7385025650951578
Energy: 0.6378987695787
Energy: 0.6691225192636957
Energy: 0.7385025650937473
Energy: 0.6378987695789015
Energy: 0.6691225192634942
Energy: 0.6497177875134441
Energy: 0.6758118619088987
Energy: 0.6463342688218964
Energy: 0.6497177875124367
Energy: 0.6758118619097047
Energy: 0.6463342688229038
Energy: 0.6497177875104216
Energy: 0.6758118619088987
Energy: 0.6463342688225008
Energy: 0.6497177875114291
Energy: 0.6942140234302717
Energy: 0.6956087207663609
Energy: 0.6465639684380939
Energy: 0.6753921145824263
Energy: 0.6956087207663609
Energy: 0.6465639684376909
Energy: 0.6942140234296672
Energy: 0.6956087207663609
Energy: 0.6465639684378924
Energy: 0.6753921145824263
Energy: 0.6570172894680251
Energy: 0.681027615145392
Energy: 0.7343259645651433
Energy: 0.6409897220650798
Energy: 0.6810276151455935
Energy: 0.7343259645649418
Energy: 0.6570172894694355
Energy: 0.6810276151461979
Energy: 0.7343259645653449
Energy: 0.6409897220648781
Energy: 0.6758719184107277
Energy: 0.6461932087243965
Energy: 0.6954017343723625
Energy: 0.6758719184117352
Energy: 0.6461932087235905
Energy: 0.6954017343721609
Energy: 0.6758719184121381
Energy: 0.6461932087235905
Energy: 0.695401734371758
Energy: 0.6758719184111307
Energy: 0.6618951305404984
Energy: 0.6567492896422416
Energy: 0.6795503345678409
Energy: 0.6618951305398939
Energy: 0.6565093398460027
Energy: 0.6795503345678409
Energy: 0.6618951305409014
Energy: 0.6567492896420402
Energy: 0.6795503345672365
Energy: 0.6618951305413044
Energy: 0.661807101331557
Energy: 0.6370011716601419
Energy: 0.7762751445310986
Energy: 0.66180710133196
Energy: 0.6376174406637451
Energy: 0.7762751445302926
Energy: 0.6618071013321615
Energy: 0.6370011716597389
Energy: 0.7762751445339194
Energy: 0.6618071013321615
Energy: 0.721391508686473
Energy: 0.6658395225399577
Energy: 0.6835223527732817
Energy: 0.7213915086862716
Energy: 0.6658395225391517
Energy: 0.6835223527740876
Energy: 0.721391508686876
Energy: 0.6658395225397563
Energy: 0.6835223527748936
Energy: 0.721391508686876
Energy: 0.6926438443737041
Energy: 0.708669147970483
Energy: 0.716262074705634
Energy: 0.6926438443728982
Energy: 0.7086691479706846
Energy: 0.7162732859161433
Energy: 0.6926438443747116
Energy: 0.708669147970483
Energy: 0.7162620747076489
Energy: 0.6926438443741071
Energy: 0.6379407897968903
Energy: 0.6908539993267514
Energy: 0.6545125799375563
Energy: 0.6379407897964872
Energy: 0.6908539993271544
Energy: 0.6545125799379593
Energy: 0.6379407897970917
Energy: 0.6908539993207063
Energy: 0.6545125799377579
Energy: 0.6379407897962857
Energy: 0.7176130582845678
Energy: 0.7038544147048237
Energy: 0.6789998194734804
Energy: 0.7176130582843663
Energy: 0.6878794703442699
Energy: 0.6787246274277003
Energy: 0.7176130582851722
Energy: 0.7038544147056298
Energy: 0.6789998194740848
Energy: 0.7176130582847693
Energy: 0.6481689944613211
Energy: 0.7136257544385842
Energy: 0.666038746464234
Energy: 0.6481689944621272
Energy: 0.7136257544377782
Energy: 0.6660387464634279
Energy: 0.6481689944617242
Energy: 0.7136257544375766
Energy: 0.666038746463025
Energy: 0.6481689944609182
Energy: 0.6662254487269558
Energy: 0.7163090459536052
Energy: 0.6724137261846597
Energy: 0.6662254487271573
Energy: 0.7163090459534037
Energy: 0.6724137261854656
Energy: 0.6662254487271573
Energy: 0.7163090459521947
Energy: 0.6724137261862717
Energy: 0.6662254487263511
Energy: 0.7272969359659184
Energy: 0.7030028141994158
Energy: 0.6467811633694465
Energy: 0.7272969359667243
Energy: 0.7030028141980054
Energy: 0.6470030381909719
Energy: 0.7272969359679333
Energy: 0.7030028141996172
Energy: 0.6467811633708569
Energy: 0.7272969359671273
Energy: 0.6691225192638972
Energy: 0.7385025650953592
Energy: 0.6378987695784986
Energy: 0.6691225192645018
Energy: 0.7385025650947548
Energy: 0.6378987695789015
Energy: 0.6691225192634942
Energy: 0.7385025650935457
Energy: 0.637898769579103
Energy: 0.6691225192632927

minimum gb energy = 0.6370011716597389 eV
minimum distance =  2.44396830430929 Angstroms
sigma value = 293


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

Energy: 0.6540716665550284
Energy: 0.6820055095380042
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095380042
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095380042
Energy: 0.6818477107528149
Energy: 0.6540716665550284
Energy: 0.655527628533928
Energy: 0.6542924236113646
Energy: 0.6664165873341908
Energy: 0.6555276285335638
Energy: 0.6542924236117288
Energy: 0.6664165873338266
Energy: 0.6555276285342921
Energy: 0.6542924236113646
Energy: 0.6664165873341908
Energy: 0.6555276285328354
Energy: 0.664463893538538
Energy: 0.6808766877799385
Energy: 0.6501061376059251
Energy: 0.6644638935381738
Energy: 0.6808766877792101
Energy: 0.6501062732905638
Energy: 0.6644638935381738
Energy: 0.6808766877795743
Energy: 0.6501091839930587
Energy: 0.664463893538538
Energy: 0.6511514071221309
Energy: 0.6812926536903069
Energy: 0.664395667269224
Energy: 0.6511661263377067
Energy: 0.6812926536899427
Energy: 0.6643956672695717
Energy: 0.6511460307763888
Energy: 0.6812926536895785
Energy: 0.664395667269224
Energy: 0.6511498332685646
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.655584334313385
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.6555843343137493
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.655584334313385
Energy: 0.6663644540669406
Energy: 0.6820055095376399
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095380042
Energy: 0.6818477107528149
Energy: 0.654071666554664
Energy: 0.6820055095376399
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095376399
Energy: 0.6542924236117288
Energy: 0.6664165873341908
Energy: 0.6555276285335638
Energy: 0.6542924236113646
Energy: 0.6664165873341908
Energy: 0.6555276285331996
Energy: 0.6542924236113646
Energy: 0.6664165873341908
Energy: 0.6555276285331996
Energy: 0.6542924236117288
Energy: 0.6808766877792101
Energy: 0.6501100467729679
Energy: 0.6644638935389021
Energy: 0.6808766877799385
Energy: 0.6501083283291579
Energy: 0.664463893538538
Energy: 0.6808766877795743
Energy: 0.6501056294096351
Energy: 0.6644638935381738
Energy: 0.6808766877795743
Energy: 0.6812926536892144
Energy: 0.6643956672699359
Energy: 0.6511607811047347
Energy: 0.6812926536892144
Energy: 0.6643956672699359
Energy: 0.6511723029939256
Energy: 0.6812926536895785
Energy: 0.6643956672699359
Energy: 0.651142849114148
Energy: 0.6812926536892144
Energy: 0.6542820700678437
Energy: 0.6555843343137493
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.6555843343130209
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.655584334313385
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095380042
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095380042
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095376399
Energy: 0.6818477107531792
Energy: 0.6664165873341908
Energy: 0.6555276285331996
Energy: 0.6542924236117288
Energy: 0.6664165873341908
Energy: 0.6555276285335638
Energy: 0.6542924236117288
Energy: 0.6664165873341908
Energy: 0.6555276285335638
Energy: 0.6542924236113646
Energy: 0.6664165873341908
Energy: 0.6501093288060709
Energy: 0.6644638935389021
Energy: 0.6808766877803027
Energy: 0.6501063869482284
Energy: 0.6644638935389021
Energy: 0.6808766877795743
Energy: 0.6511806474967479
Energy: 0.6644638935389021
Energy: 0.6808766877799385
Energy: 0.6501032878428669
Energy: 0.6643956672699359
Energy: 0.6511518273600903
Energy: 0.6812926536903069
Energy: 0.6643956672695717
Energy: 0.6500904142174706
Energy: 0.6812926536892144
Energy: 0.6643956672695717
Energy: 0.6511486834475857
Energy: 0.6812926536895785
Energy: 0.664395667269224
Energy: 0.6555843343130209
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.6555843343137493
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.6555843343137493
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.655584334313385
Energy: 0.6540716665550284
Energy: 0.6820055095380042
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095380042
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095380042
Energy: 0.6818477107531792
Energy: 0.6540716665550284
Energy: 0.6555276285335638
Energy: 0.6542924236117288
Energy: 0.666416587334555
Energy: 0.6555276285335638
Energy: 0.6542924236113646
Energy: 0.6664165873338266
Energy: 0.6555276285331996
Energy: 0.6542924236113646
Energy: 0.6664165873338266
Energy: 0.6555276285335638
Energy: 0.6644638935389021
Energy: 0.680876687778846
Energy: 0.6512004825193359
Energy: 0.6644638935389021
Energy: 0.6808766877799385
Energy: 0.6501101127822279
Energy: 0.6644638935389021
Energy: 0.6808766877792101
Energy: 0.6501100889343697
Energy: 0.664463893538538
Energy: 0.6511445812071877
Energy: 0.6812926536899427
Energy: 0.6643956672699359
Energy: 0.6511593527598496
Energy: 0.6812926536899427
Energy: 0.6643956672699359
Energy: 0.6511526936543338
Energy: 0.6812926536910353
Energy: 0.6643956672695717
Energy: 0.6500925272454131
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.6555843343144777
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.6555843343137493
Energy: 0.6663644540669406
Energy: 0.6542820700678437
Energy: 0.6555843343141134
Energy: 0.6663644540669406
Energy: 0.6820055095387325
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095376399
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095380042
Energy: 0.6818477107524508
Energy: 0.6540716665550284
Energy: 0.6820055095376399
Energy: 0.6542924236117288
Energy: 0.6664165873341908
Energy: 0.6555276285335638
Energy: 0.6542924236113646
Energy: 0.6664165873341908
Energy: 0.6555276285328354
Energy: 0.6542924236117288
Energy: 0.6664165873341908
Energy: 0.6555276285331996
Energy: 0.6542924236113646

minimum gb energy = 0.6500904142174706 eV
minimum distance =  2.53077505155821 Angstroms
sigma value = 15


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

Energy: 0.6913232955626093
Energy: 0.703453618284251
Energy: 0.7017944902911722
Energy: 0.6799786260776695
Energy: 0.7034536182826001
Energy: 0.7017944902911722
Energy: 0.6913232955626093
Energy: 0.7034536182792984
Energy: 0.7017944902911722
Energy: 0.6799786260776695
Energy: 0.6588512383562724
Energy: 0.6535284548752146
Energy: 0.6906508129815006
Energy: 0.6588512585077227
Energy: 0.6535284548752146
Energy: 0.6906508129963583
Energy: 0.6588512400773467
Energy: 0.6535284548752146
Energy: 0.6906508130640139
Energy: 0.6588512573080524
Energy: 0.6526789923391559
Energy: 0.6826648455113599
Energy: 0.757072750793166
Energy: 0.652678992337505
Energy: 0.6826648455113599
Energy: 0.757072750793166
Energy: 0.6526789923358542
Energy: 0.682664845509709
Energy: 0.7570727507948168
Energy: 0.6526789923358542
Energy: 0.6497880861578594
Energy: 0.6826039688357621
Energy: 0.635166237654251
Energy: 0.6497880866561813
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Energy: 0.6351662376526
Energy: 0.6497880859053968
Energy: 0.682603968837413
Energy: 0.6351662376492982
Energy: 0.6497880864944863
Energy: 0.6765418294088217
Energy: 0.6499945973664538
Energy: 0.6755221506539579
Energy: 0.6765418294104725
Energy: 0.6499945973681047
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Energy: 0.6716702769816617
Energy: 0.6962308492636172
Energy: 0.6309147381007728
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Energy: 0.6962308492636172
Energy: 0.6309147381007728
Energy: 0.6716702769833126
Energy: 0.6962308492636172
Energy: 0.6309147381007728
Energy: 0.6716702769833126
Energy: 0.6986048632120714
Energy: 0.6548922695951429
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Energy: 0.6685347203361949
Energy: 0.6986048632120714
Energy: 0.654892269593492
Energy: 0.6685347203312423
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Energy: 0.6482293395598885
Energy: 0.7174782273602547
Energy: 0.7117479435902009
Energy: 0.6482293395598885
Energy: 0.7174782273586038
Energy: 0.7117479435935027
Energy: 0.6482293395615394
Energy: 0.7174782273586038
Energy: 0.7117479435868992
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Energy: 0.6876057566354605
Energy: 0.6850617877081848
Energy: 0.6803605761704101
Energy: 0.6876057566371113
Energy: 0.6850617877081848
Energy: 0.6803605761704101
Energy: 0.6876057566354605
Energy: 0.6850617877098357
Energy: 0.6803605761704101
Energy: 0.6876057566354605
Energy: 0.6432564852036076
Energy: 0.743978715115356
Energy: 0.658482317435992
Energy: 0.6432571906345241
Energy: 0.743978715117007
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Energy: 0.6432564852003058
Energy: 0.743978715115356
Energy: 0.658482317434341
Energy: 0.6432571906361749
Energy: 0.6715909592601648
Energy: 0.6392943392841051
Energy: 0.6667353235563063
Energy: 0.6715909592601648
Energy: 0.6392943392841051
Energy: 0.6667353235546554
Energy: 0.6715909592618157
Energy: 0.639294339285756
Energy: 0.6667353235563063
Energy: 0.6715909592618157
Energy: 0.6890989236274572
Energy: 0.6312897600474036
Energy: 0.7069023718206836
Energy: 0.6890989236258064
Energy: 0.6312896482144802
Energy: 0.7069023718206836
Energy: 0.6890989236274572
Energy: 0.6312897600490543
Energy: 0.7069023718206836
Energy: 0.6890989236291081
Energy: 0.6833936598055791
Energy: 0.6298640340376301
Energy: 0.6797079394883258
Energy: 0.6833936598055791
Energy: 0.6298640340376301
Energy: 0.6797079394883258
Energy: 0.6833936598055791
Energy: 0.6298640340360092
Energy: 0.6797079394883258
Energy: 0.6833936598055791
Energy: 0.6477277766372849
Energy: 0.655449911539666
Energy: 0.6860608891710237
Energy: 0.6477277766356341
Energy: 0.6554499115413169
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Energy: 0.6477277766356341
Energy: 0.655449911539666
Energy: 0.6860608891710237
Energy: 0.6477277766356341
Energy: 0.7025987685817583
Energy: 0.709864322789199
Energy: 0.6445218057247266
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Energy: 0.709864322823837
Energy: 0.6445211565964096
Energy: 0.7025987685817583
Energy: 0.7098643228205354
Energy: 0.6445218057263775
Energy: 0.7025987685817583
Energy: 0.6378036132637214
Energy: 0.6466301349484574
Energy: 0.7088279822364527
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Energy: 0.6466301349501083
Energy: 0.7088279822067372
Energy: 0.6378036132637214
Energy: 0.6466301349468065
Energy: 0.7088279822529313
Energy: 0.6378036132637214
Energy: 0.6623779362845137
Energy: 0.690081592892289
Energy: 0.7036347795993585
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Energy: 0.690081592892289
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Energy: 0.6900815928939398
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Energy: 0.6623774692139065
Energy: 0.7088852980142746
Energy: 0.6497147812115028
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Energy: 0.6497147812131236
Energy: 0.6975255824524481
Energy: 0.7088852980109728
Energy: 0.6497147812131236
Energy: 0.6975255824524481
Energy: 0.7088852980126238
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Energy: 0.7535761304183045
Energy: 0.6518914548424785
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Energy: 0.7535761304216064
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Energy: 0.6711363666325952
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Energy: 0.6711363666342461
Energy: 0.6410773529955364
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Energy: 0.6711363666342461
Energy: 0.655158926772675
Energy: 0.6554000876624031
Energy: 0.7177314396924712
Energy: 0.655158926772675
Energy: 0.6554000876607523
Energy: 0.717731439694122
Energy: 0.6551589267759766
Energy: 0.6554000876591014
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Energy: 0.7057334292559309
Energy: 0.7089640732968748
Energy: 0.6320233670301213
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Energy: 0.7089640732985258
Energy: 0.6320233670301213
Energy: 0.7057334292575518
Energy: 0.7089640733001766
Energy: 0.6320233670301213
Energy: 0.7057334292575518
Energy: 0.689340789660971
Energy: 0.6905865665659293
Energy: 0.6666400405422626
Energy: 0.6893436015696585
Energy: 0.6905802463934174
Energy: 0.66664004053731
Energy: 0.6893407896593501
Energy: 0.6905865665659293
Energy: 0.6666400405505168
Energy: 0.6893436015696585
Energy: 0.629837807390959
Energy: 0.6457683204337249
Energy: 0.6661152558813657
Energy: 0.629837807390959
Energy: 0.6457683204337249
Energy: 0.6661152558813657
Energy: 0.6298378073926099
Energy: 0.6457683204320741
Energy: 0.6661152558830166
Energy: 0.6298378073926099
Energy: 0.6411099566594038
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Energy: 0.6411099566577529
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Energy: 0.6411099566577529
Energy: 0.649748932424899
Energy: 0.6701145211250731
Energy: 0.6761074570179582
Energy: 0.6497497342995909
Energy: 0.6701145211250731
Energy: 0.6764211098756153
Energy: 0.649748932424899
Energy: 0.6701145211250731
Energy: 0.6761074570196091
Energy: 0.6497497343012418
Energy: 0.6869259564142749
Energy: 0.6355376675949671
Energy: 0.6693374932011503
Energy: 0.6869259564126241
Energy: 0.6355376675933162
Energy: 0.6693374932011503
Energy: 0.6869259564142749
Energy: 0.6355376675916653
Energy: 0.6693374932044521
Energy: 0.6869259564142749
Energy: 0.6965337162674513
Energy: 0.6690704672191345
Energy: 0.7131953359489489
Energy: 0.6965337162674513
Energy: 0.6690704672158327
Energy: 0.713195335922535
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Energy: 0.6690704672158327
Energy: 0.7131953353367472
Energy: 0.6965337162674513
Energy: 0.6719583703125099
Energy: 0.6292674469411154
Energy: 0.6579892635220645
Energy: 0.6599235401235735
Energy: 0.6292469057248997
Energy: 0.6579892635237153
Energy: 0.6719583703125099
Energy: 0.6292674469411154
Energy: 0.6579892635237153
Energy: 0.6599235401219227
Energy: 0.6744329339170309
Energy: 0.647529466476479
Energy: 0.644161616327654
Energy: 0.6744329339170309
Energy: 0.6475294665325784
Energy: 0.6441616163260031
Energy: 0.6744329339170309
Energy: 0.6475294665193715
Energy: 0.6441616163260031
Energy: 0.6744329339170309
Energy: 0.6855726741447947
Energy: 0.6984136190751367
Energy: 0.6416338910702953
Energy: 0.6855726741447947
Energy: 0.6984136190899944
Energy: 0.6415620345916951
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Energy: 0.6984136189662393
Energy: 0.641633891073597
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Energy: 0.647490360999399
Energy: 0.6475100617430375
Energy: 0.6356165132100804
Energy: 0.6474903609977481
Energy: 0.6925713602918245
Energy: 0.642702740351396
Energy: 0.652813127784002
Energy: 0.6813998208301884
Energy: 0.642702740326663
Energy: 0.6528131277807003
Energy: 0.6925713602918245
Energy: 0.6427027403480942
Energy: 0.652813127784002
Energy: 0.6813998208301884
Energy: 0.6925088643638151
Energy: 0.6601682665766395
Energy: 0.7019848642898293
Energy: 0.6812296446584599
Energy: 0.6601682665782904
Energy: 0.7053484501009384
Energy: 0.692508864365466
Energy: 0.6601682665799412
Energy: 0.7019848642881784
Energy: 0.6812296446584599
Energy: 0.646170221445793
Energy: 0.7636367556864107
Energy: 0.6849785904174056
Energy: 0.646170221444142
Energy: 0.7636367556880616
Energy: 0.6849785904174056
Energy: 0.646170221444142
Energy: 0.7636367556864107
Energy: 0.6849785904174056
Energy: 0.646170221445793
Energy: 0.6896944087459219
Energy: 0.6422048699223278
Energy: 0.7254837772379227
Energy: 0.6896944087459219
Energy: 0.6422048699206769
Energy: 0.7254837772412244
Energy: 0.6896944087459219
Energy: 0.6422048699190261
Energy: 0.7254837772395736
Energy: 0.6896944087459219
Energy: 0.6999616764561816
Energy: 0.6323622934899008
Energy: 0.6337855631751724
Energy: 0.6999616764693585
Energy: 0.6323610280230696
Energy: 0.6351202102259569
Energy: 0.6999616764693585
Energy: 0.632362964573256
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Energy: 0.6999616764858672
Energy: 0.6787989849748021
Energy: 0.7052379356634099
Energy: 0.6303650782905889
Energy: 0.678798984976453
Energy: 0.705237935674966
Energy: 0.6303650782872872
Energy: 0.678798984976453
Energy: 0.7052379356502029
Energy: 0.6303650782872872
Energy: 0.6787989849748021
Energy: 0.6568453976902002
Energy: 0.7246070317782007
Energy: 0.6443255500228234
Energy: 0.6568453976918511
Energy: 0.7246070317782007
Energy: 0.6443255500228234
Energy: 0.6568453976902002
Energy: 0.7246070317782007
Energy: 0.6443255500211726
Energy: 0.6568453976902002
Energy: 0.734706115989033
Energy: 0.643190556179708
Energy: 0.6606294053127506
Energy: 0.7347061165946313
Energy: 0.643190556179708
Energy: 0.6606294053127506
Energy: 0.7347061158784849
Energy: 0.643190556179708
Energy: 0.6606294053110998
Energy: 0.7347061164411907
Energy: 0.6444818524097389
Energy: 0.6848764741489118
Energy: 0.685865263795196
Energy: 0.6444818524097389
Energy: 0.6848764741472609
Energy: 0.6858652637935451
Energy: 0.6444818524097389
Energy: 0.6848764741456101
Energy: 0.685865263795196
Energy: 0.6444818524097389
Energy: 0.6491037733585361
Energy: 0.6849972579809803
Energy: 0.6788182660335267
Energy: 0.6491037733354239
Energy: 0.6849972579809803
Energy: 0.6788182660335267
Energy: 0.6491037734723859
Energy: 0.6849972579809803
Energy: 0.6788182660335267
Energy: 0.6491037736687791
Energy: 0.7561000993101803
Energy: 0.6378164946247601
Energy: 0.7027193773447198
Energy: 0.7561000993101803
Energy: 0.6378164946231093
Energy: 0.7027193773430689
Energy: 0.7561000993101803
Energy: 0.6378164946231093
Energy: 0.7027193773447198
Energy: 0.7561000993101803
Energy: 0.6944192244266812
Energy: 0.7060280589341908
Energy: 0.6939517300522893
Energy: 0.6944192244266812
Energy: 0.7060280589341908
Energy: 0.6939517300506385
Energy: 0.6944192244266812
Energy: 0.7060280589341908
Energy: 0.6939517300506385
Energy: 0.6944192244266812
Energy: 0.6793261211578422
Energy: 0.6323076139088717
Energy: 0.7697414268111779
Energy: 0.6793261211578422
Energy: 0.6323078174034575
Energy: 0.7697414268458159
Energy: 0.6793261211578422
Energy: 0.6323076139088717
Energy: 0.769741426870579
Energy: 0.6793261211578422
Energy: 0.6469094742837977
Energy: 0.6478746090380764
Energy: 0.6502589015414646
Energy: 0.6469094742837977
Energy: 0.6478746090380764
Energy: 0.6502589015414646
Energy: 0.6469094742837977
Energy: 0.6478746090380764
Energy: 0.6502589015431155
Energy: 0.6469094742837977
Energy: 0.687550763608071
Energy: 0.671338462716138
Energy: 0.6436522388204762
Energy: 0.6875507636064202
Energy: 0.6713384628184618
Energy: 0.6436523808492088
Energy: 0.687550763608071
Energy: 0.6713384628085566
Energy: 0.6436522388204762
Energy: 0.687550763608071
Energy: 0.6528372942371364
Energy: 0.6481264859385818
Energy: 0.7089468612345632
Energy: 0.6528372942387874
Energy: 0.6481264859369609
Energy: 0.7089468612345632
Energy: 0.6528372942387874
Energy: 0.6481264859353101
Energy: 0.7089468612345632
Energy: 0.6528372942387874
Energy: 0.6585517625883589
Energy: 0.7331064724063524
Energy: 0.6632210520828993
Energy: 0.6584675671007513
Energy: 0.7331064724047016
Energy: 0.6632210521158867
Energy: 0.6585517625883589
Energy: 0.7331064724047016
Energy: 0.6632210522033526
Energy: 0.6584675671007513

minimum gb energy = 0.6292469057248997 eV
minimum distance =  2.42579091031952 Angstroms
sigma value = 437


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

Energy: 0.5880280584261279
Energy: 0.6182341734833284
Energy: 0.6183404973063318
Energy: 0.5880280584261279
Energy: 0.6182430473584046
Energy: 0.6178680232443138
Energy: 0.5880280584261279
Energy: 0.6189473329109361
Energy: 0.6178901478664478
Energy: 0.5880280584261279
Energy: 0.767912350457767
Energy: 0.5804792543731762
Energy: 0.6733909714848181
Energy: 0.767912350457767
Energy: 0.5804792543731762
Energy: 0.6733909714848181
Energy: 0.767912350457767
Energy: 0.5804792543731762
Energy: 0.6733909714848181
Energy: 0.767912350457767
Energy: 0.6736432051992298
Energy: 0.57114157632479
Energy: 0.7004564427583062
Energy: 0.6736432051992298
Energy: 0.57114157632479
Energy: 0.7004564427583062
Energy: 0.6736432051992298
Energy: 0.57114157632479
Energy: 0.7004564427583062
Energy: 0.6736432051986284
Energy: 0.6234642743766473
Energy: 0.7136782900895744
Energy: 0.6497023358987073
Energy: 0.6234642743772488
Energy: 0.713678290088973
Energy: 0.6497023358987073
Energy: 0.6234642743778501
Energy: 0.7136782900901759
Energy: 0.6497023358987073
Energy: 0.6234642743772488
Energy: 0.6542368659570807
Energy: 0.5861953768591343
Energy: 0.6284398128205401
Energy: 0.6542368659570807
Energy: 0.5861953768591343
Energy: 0.6284398128187357
Energy: 0.6542368659570807
Energy: 0.5861953768591343
Energy: 0.6284398128211416
Energy: 0.6542368659576823
Energy: 0.6515256003327261
Energy: 0.7367450157265447
Energy: 0.5809121996362915
Energy: 0.6515256003327261
Energy: 0.736745015727146
Energy: 0.5809121996362915
Energy: 0.6515256003321247
Energy: 0.7367450157259433
Energy: 0.5809121996362915
Energy: 0.6515256003327261
Energy: 0.6239779296896263
Energy: 0.5921952849749855
Energy: 0.5789586735741653
Energy: 0.6239999763414026
Energy: 0.5921952849749855
Energy: 0.5789586735741653
Energy: 0.623764310698285
Energy: 0.5921952849749855
Energy: 0.5789586735741653
Energy: 0.6239925102367512
Energy: 0.636699725925244
Energy: 0.6877347050662324
Energy: 0.6471938264571653
Energy: 0.6366997259258456
Energy: 0.6877347050824713
Energy: 0.6471938119779066
Energy: 0.6366997259258456
Energy: 0.6877347052411967
Energy: 0.6471938531769043
Energy: 0.636699725925244
Energy: 0.6898754661454081
Energy: 0.6727209624804097
Energy: 0.5863378446137216
Energy: 0.6898754660744655
Energy: 0.672720962481011
Energy: 0.5863378446143229
Energy: 0.6898754660708568
Energy: 0.6727209624804097
Energy: 0.5863378446143229
Energy: 0.6898754664886664
Energy: 0.6530282850637118
Energy: 0.6755419906362166
Energy: 0.6272764851477388
Energy: 0.6530282850631104
Energy: 0.6755419906362166
Energy: 0.6272764851459345
Energy: 0.6530282850631104
Energy: 0.6755419906362166
Energy: 0.6272764851477388
Energy: 0.6530282850631104
Energy: 0.5723795258499537
Energy: 0.6349681123601075
Energy: 0.61075447096292
Energy: 0.5723795258120904
Energy: 0.6349681123601075
Energy: 0.6107544709635214
Energy: 0.5723795258637868
Energy: 0.6349681123601075
Energy: 0.6107544709635214
Energy: 0.5723795258391551
Energy: 0.675551820422692
Energy: 0.5804114992186563
Energy: 0.6118126668882942
Energy: 0.675551820422692
Energy: 0.5804114992186563
Energy: 0.6120651939163159
Energy: 0.675551820422692
Energy: 0.5804114992186563
Energy: 0.6116990541804125
Energy: 0.6755518204232934
Energy: 0.5862413978515831
Energy: 0.616846491346365
Energy: 0.5861703052875186
Energy: 0.5862413978515831
Energy: 0.616846491346365
Energy: 0.5861703052875186
Energy: 0.5862413978515831
Energy: 0.6168464913469666
Energy: 0.58617030528812
Energy: 0.5862413978515831
Energy: 0.6738713139299837
Energy: 0.610570620931126
Energy: 0.7205954264963871
Energy: 0.6738713139299837
Energy: 0.610570620931126
Energy: 0.7205954264963871
Energy: 0.6738713139293823
Energy: 0.610570620931126
Energy: 0.7205954264969886
Energy: 0.6738713139299837

minimum gb energy = 0.57114157632479 eV
minimum distance =  2.46145751601968 Angstroms
sigma value = 33