Model name: model_name=Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391734480858
cohesive_energy=4.450349978305024
mass=58.6934
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: 0.020517088833156213
Energy: 0.46578882873343785
Energy: 0.46578882873343785
Energy: 0.020517088833156213
Energy: 0.46578882873343785
Energy: 0.46578882873343785
Energy: 0.020517088833156213
Energy: 0.46578882873343785
Energy: 0.46578882873343785
Energy: 0.020517088833156213
Energy: 0.46356693586855
Energy: 0.022639618506589323
Energy: 0.46425056072918197
Energy: 0.46356693586855
Energy: 0.022639618506589323
Energy: 0.4642505607276585
Energy: 0.46356693586855
Energy: 0.022639618506589323
Energy: 0.46425056072918197
Energy: 0.46356693586855
Energy: 2.217205201032565
Energy: 0.817018205592997
Energy: 0.7043338909284892
Energy: 1.4963852063305856
Energy: 0.817018205592997
Energy: 0.817018205592997
Energy: 1.1446550792917007
Energy: 0.817018205592997
Energy: 0.817018205592997
Energy: 1.1446383722558138
Energy: 0.46356693586855
Energy: 0.4642505607276585
Energy: 0.022639618506589323
Energy: 0.46356693586855
Energy: 0.4642505607276585
Energy: 0.022639618506589323
Energy: 0.46356693586855
Energy: 0.4642505607276585
Energy: 0.022639618506589323
Energy: 0.46356693586855
Energy: 0.020517088833156213
Energy: 0.46578882873343785
Energy: 0.46578882873343785
Energy: 0.020517088833156213
Energy: 0.46578882873343785
Energy: 0.46578882873343785
Energy: 0.020517088833156213
Energy: 0.46578882873343785
Energy: 0.46578882873343785
Energy: 0.020517088833156213
Energy: 0.46356693586855
Energy: 0.022639618506589323
Energy: 0.46425056072918197
Energy: 0.46356693586855
Energy: 0.022639618506589323
Energy: 0.46425056072918197
Energy: 0.46356693586855
Energy: 0.022639618506589323
Energy: 0.46425056072918197
Energy: 0.46356693586855
Energy: 1.144650265764788
Energy: 0.2754154785288418
Energy: 0.021222474341786073
Energy: 1.1446244356576523
Energy: 0.2754154785288418
Energy: 0.021222474341786073
Energy: 1.144627622217679
Energy: 0.2754154785288418
Energy: 0.021222474340262688
Energy: 1.1446291180383528

minimum gb energy = 0.020517088833156213 eV
minimum distance =  2.26366869183064 Angstroms
sigma value = 3


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

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Energy: 1.6030115452535763
Energy: 1.6060604687063118
Energy: 1.374908373478453
Energy: 1.6030115452498448
Energy: 1.6060604687063118
Energy: 1.4078654237116932
Energy: 1.6030115452498448
Energy: 1.6060604687063118
Energy: 1.374908373478453
Energy: 1.5788240753880067
Energy: 1.3396075103463398
Energy: 1.620250383208604
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Energy: 1.620250383208604
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Energy: 1.593847961923565
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Energy: 1.7428524709524151
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Energy: 1.742852470956079
Energy: 1.59463374341861
Energy: 1.6315374748165767
Energy: 1.6651415099925693
Energy: 1.185887095959811
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Energy: 1.6651415099925693
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Energy: 1.6286367840395755
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Energy: 1.402301888277543
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Energy: 1.3974840951701295
Energy: 1.3819949674850704
Energy: 1.68003825835575
Energy: 1.1279114466465514
Energy: 1.6244371381007787
Energy: 1.5992936822781554
Energy: 1.1279114466465514
Energy: 1.6227518242354781
Energy: 1.6069204444246006
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Energy: 1.6244371381007787
Energy: 1.5992936822781554
Energy: 1.1279114466465514
Energy: 1.5973411811737674
Energy: 1.1857102314021617
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Energy: 1.5944512453760948
Energy: 1.5973411811700358
Energy: 1.1857102314021617
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Energy: 1.5973411811700358
Energy: 1.575795873697268
Energy: 1.7009013189766673
Energy: 1.4746026556694871
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Energy: 1.575795873697268
Energy: 1.272940028313103
Energy: 1.6039867923721978
Energy: 1.3392872412198542
Energy: 1.2729400283615444
Energy: 1.6039867923684663
Energy: 1.3392896139524713
Energy: 1.2729400283913965
Energy: 1.6039867923721978
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Energy: 1.2729400283913965
Energy: 1.379275174910068
Energy: 1.6030115452535763
Energy: 1.6060604687063118
Energy: 1.379285595253425
Energy: 1.6030115452498448
Energy: 1.6060604687063118
Energy: 1.379275174910068
Energy: 1.6030115452498448
Energy: 1.6060604687063118
Energy: 1.379285595253425
Energy: 1.5788240748807245
Energy: 1.3396075103463398
Energy: 1.620250383208604
Energy: 1.5788240732470684
Energy: 1.3396075103463398
Energy: 1.6202503832123354
Energy: 1.5788240737655452
Energy: 1.3396075103463398
Energy: 1.620250383208604
Energy: 1.5788240791812584
Energy: 1.602074512786704
Energy: 1.7130514272896011
Energy: 1.742852470956079
Energy: 1.6038016622736613
Energy: 1.7130514272896011
Energy: 1.742852470956079
Energy: 1.602074512786704
Energy: 1.7130514272896011
Energy: 1.742852470956079
Energy: 1.603801662277393
Energy: 1.6315374748165767
Energy: 1.6651415099925693
Energy: 1.185887095959811
Energy: 1.6315374748165767
Energy: 1.6651415099925693
Energy: 1.1858870959635424
Energy: 1.6315374748203084
Energy: 1.6651415099925693
Energy: 1.185887095959811
Energy: 1.6315374748165767

minimum gb energy = 1.1275289471383212 eV
minimum distance =  2.19606602164137 Angstroms
sigma value = 75


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

Energy: 1.431470909778344
Energy: 1.2081529643376268
Energy: 1.209413302799387
Energy: 1.3549900926433707
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minimum gb energy = 1.2047786747622589 eV
minimum distance =  2.201263801742 Angstroms
sigma value = 105


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

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Energy: 1.376753007381135
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Energy: 1.5663789690633996
Energy: 1.5876209238064762
Energy: 1.5084576474191096
Energy: 1.490544270832636
Energy: 1.5876208526665823
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Energy: 1.4905442708305816
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Energy: 1.5876209584606926
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Energy: 1.4472373994161976
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Energy: 1.447237399391548
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Energy: 1.3523378958628867
Energy: 1.4462539479905707
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Energy: 1.4462539479905707
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Energy: 1.6544409329808611
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Energy: 1.6544409329808611
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Energy: 1.4032867383600407
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Energy: 1.406576454172688
Energy: 1.6407345570424394
Energy: 1.5767120956186846
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Energy: 1.5767120956186846
Energy: 1.406576454172688
Energy: 1.6329116509884702
Energy: 1.4219498113702005
Energy: 1.487466628002151
Energy: 1.632911650130255
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Energy: 1.6329116501343632
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Energy: 1.6329116518693185
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Energy: 1.4636185436183224
Energy: 1.4947155107264187
Energy: 1.4658093552947837
Energy: 1.4636185436203766
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Energy: 1.4658093552762965
Energy: 1.5572365307034668
Energy: 1.5573630607793394
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Energy: 1.5573630607793394
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Energy: 1.5080807304007662
Energy: 1.520245219506589
Energy: 1.5222168115070203
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Energy: 1.520245219506589
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Energy: 1.45990783323629
Energy: 1.47370771097198
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Energy: 1.5750463157065981
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Energy: 1.47370771097198
Energy: 1.5750463157065981
Energy: 1.45990783323629
Energy: 1.4877848303996908
Energy: 1.5575356143442496
Energy: 1.4025777826531207
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Energy: 1.5575356143442496
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Energy: 1.4025777841889002
Energy: 1.5083702140358068
Energy: 1.4930327789756475
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Energy: 1.4930327789756475
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Energy: 1.4930327789756475
Energy: 1.471475385484916
Energy: 1.5244598599877903
Energy: 1.456997591726855
Energy: 1.471475385484916
Energy: 1.5244598599877903
Energy: 1.456997591726855
Energy: 1.471475385484916
Energy: 1.5244598599877903
Energy: 1.456997591726855
Energy: 1.471475385484916
Energy: 1.3869637212368586
Energy: 1.5027471302033248
Energy: 1.5580603134925304
Energy: 1.3869637212368586
Energy: 1.5027471302012707
Energy: 1.5580603134925304
Energy: 1.3869637212368586
Energy: 1.5027471302012707
Energy: 1.5580603134925304
Energy: 1.3869637212368586
Energy: 1.4456634250319589
Energy: 1.472255834969061
Energy: 1.4684959899481604
Energy: 1.4456634250299047
Energy: 1.472255834969061
Energy: 1.4684959899481604
Energy: 1.4456634250299047
Energy: 1.472255834967007
Energy: 1.4684959899461065
Energy: 1.4456634250299047
Energy: 1.5533192610297601
Energy: 1.4704602613668447
Energy: 1.5994784882989812
Energy: 1.5533192610297601
Energy: 1.4704602613647908
Energy: 1.5994784882989812
Energy: 1.5533192610297601
Energy: 1.4704602613668447
Energy: 1.5994784882989812
Energy: 1.5533192610297601
Energy: 1.5000572045470442
Energy: 1.491271839569024
Energy: 1.4048357629543662
Energy: 1.5000572045470442
Energy: 1.491271839569024
Energy: 1.4048357629543662
Energy: 1.5000572045449903
Energy: 1.49127183956697
Energy: 1.4048357629564203
Energy: 1.5000572045470442
Energy: 1.447119169763777
Energy: 1.515186388278924
Energy: 1.4503037817072166
Energy: 1.447119169763777
Energy: 1.515186388278924
Energy: 1.4503037817092708
Energy: 1.447119169763777
Energy: 1.5151863882809784
Energy: 1.4503037817072166
Energy: 1.447119169763777
Energy: 1.4960894678634125
Energy: 1.4597002959339245
Energy: 1.5770319119120504
Energy: 1.4960894678634125
Energy: 1.4597002959339245
Energy: 1.5770319119120504
Energy: 1.4960894678634125
Energy: 1.4597002959339245
Energy: 1.5770319119120504
Energy: 1.4960894678634125
Energy: 1.528941336114162
Energy: 1.375358267175519
Energy: 1.5663944892283401
Energy: 1.528941336116216
Energy: 1.375358267175519
Energy: 1.5663944892283401
Energy: 1.528941336116216
Energy: 1.375358267175519
Energy: 1.5663944892283401
Energy: 1.528941336116216

minimum gb energy = 1.3523378958628867 eV
minimum distance =  2.19280097779567 Angstroms
sigma value = 165


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

Energy: 1.3460422922007376
Energy: 1.451362345750148
Energy: 1.4514116630305658
Energy: 1.3460422922007376
Energy: 1.4513623459524732
Energy: 1.4514116630460798
Energy: 1.3460422922007376
Energy: 1.4513623457875233
Energy: 1.4514116630305658
Energy: 1.3460422922007376
Energy: 1.5437792616391632
Energy: 1.3452284360467563
Energy: 1.5959875196496833
Energy: 1.5437792616391632
Energy: 1.345228432408171
Energy: 1.59598751959891
Energy: 1.543779261638458
Energy: 1.3452284335359612
Energy: 1.5959875196405162
Energy: 1.5437792616391632
Energy: 1.389021713223054
Energy: 1.4185717476933164
Energy: 1.3044394813774163
Energy: 1.389021713223054
Energy: 1.4185717476940216
Energy: 1.3044394814640905
Energy: 1.389021713223054
Energy: 1.4185717476940216
Energy: 1.3044394822705068
Energy: 1.3890217132223488
Energy: 1.5932223900113958
Energy: 1.6216662108078261
Energy: 1.3636403911327626
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Energy: 1.5932223900113958
Energy: 1.621666210807121
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Energy: 1.5932223900113958
Energy: 1.3753031286582658
Energy: 1.3887230085561402
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Energy: 1.3887230085561402
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Energy: 1.3753031286568556
Energy: 1.3887230085568454
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Energy: 1.3753031286582658
Energy: 1.3897116423564335
Energy: 1.6489534413454132
Energy: 1.5957595422354833
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Energy: 1.5957595422354833
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Energy: 1.4422307634883322
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Energy: 1.4109139578759669
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Energy: 1.4368705994576574
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Energy: 1.4422307634883322
Energy: 1.436870599459068
Energy: 1.410913957821667
Energy: 1.4422307634883322
Energy: 1.4520428918857398
Energy: 1.4497386861946508
Energy: 1.3901686518119054
Energy: 1.4520428918857398
Energy: 1.449738686196061
Energy: 1.3901686518119054
Energy: 1.4520428918850345
Energy: 1.449738686196061
Energy: 1.3901686518119054
Energy: 1.4520428918850345
Energy: 1.3896915911807937
Energy: 1.595174817874651
Energy: 1.6485192083695004
Energy: 1.3896915911807937
Energy: 1.5951748178767666
Energy: 1.64851920836809
Energy: 1.3896915911807937
Energy: 1.5951748178767666
Energy: 1.648519208368795
Energy: 1.3896915911800884
Energy: 1.3754539476013419
Energy: 1.3775436633572757
Energy: 1.3887186947039243
Energy: 1.3754539476013419
Energy: 1.3775436633572757
Energy: 1.3887186947046293
Energy: 1.3754539476013419
Energy: 1.3775436633572757
Energy: 1.3887186947046293
Energy: 1.3754539476006367
Energy: 1.5928759741038179
Energy: 1.3636288082727621
Energy: 1.6219954275889326
Energy: 1.5928759741038179
Energy: 1.3636288082727621
Energy: 1.6219954275818804
Energy: 1.5928759741038179
Energy: 1.363628808273467
Energy: 1.6219954274945012
Energy: 1.5928759741031129
Energy: 1.3889449459195269
Energy: 1.3042210616652952
Energy: 1.4185363609625152
Energy: 1.3889449459188214
Energy: 1.304221061672347
Energy: 1.4185363609639257
Energy: 1.3889449459195269
Energy: 1.3042210616631795
Energy: 1.4185363609632202
Energy: 1.3889449459195269
Energy: 1.5440053474428213
Energy: 1.5963668227539638
Energy: 1.3456134818786298
Energy: 1.5440053474428213
Energy: 1.596366822754669
Energy: 1.3456134814712226
Energy: 1.544005347442116
Energy: 1.596366822754669
Energy: 1.3456134815430878
Energy: 1.5440053474428213
Energy: 1.3460422922007376
Energy: 1.4513623458044476
Energy: 1.4514116630376175
Energy: 1.3460422922014428
Energy: 1.4513623460744072
Energy: 1.4514116630305658
Energy: 1.3460422922007376
Energy: 1.4513623457184146
Energy: 1.4514116630284501
Energy: 1.3460422922014428

minimum gb energy = 1.3042210616631795 eV
minimum distance =  2.26217110180803 Angstroms
sigma value = 41


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

Energy: 1.5628626650652675
Energy: 1.3106164284149073
Energy: 1.3134259397982044
Energy: 1.438536996337988
Energy: 1.3106164284149073
Energy: 1.3134259397954684
Energy: 1.5628626650625317
Energy: 1.3106164284149073
Energy: 1.3134259397927321
Energy: 1.438536996337988
Energy: 1.6223875886516248
Energy: 1.2053738189394136
Energy: 1.3670747998252308
Energy: 1.6223875886516248
Energy: 1.2053738189366776
Energy: 1.367074799827967
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Energy: 1.2053738189394136
Energy: 1.3670747998252308
Energy: 1.6223875886516248
Energy: 1.3948147048139459
Energy: 1.259956402611952
Energy: 1.3642091366874092
Energy: 1.3941689561191128
Energy: 1.259956402614688
Energy: 1.3556114079692982
Energy: 1.4211342645491458
Energy: 1.259956402614688
Energy: 1.3557107573325085
Energy: 1.4148123504726413
Energy: 1.2181437507882795
Energy: 1.2196104086684514
Energy: 1.3008908137254258
Energy: 1.2181437502413128
Energy: 1.2196104086766597
Energy: 1.3009244695558295
Energy: 1.218143750834743
Energy: 1.2196104086629795
Energy: 1.3008908137254258
Energy: 1.2181437506132204
Energy: 1.2468435778960434
Energy: 1.3623512440525878
Energy: 1.3042404151995868
Energy: 1.2468435778933076
Energy: 1.3623512440525878
Energy: 1.3045624628362984
Energy: 1.2468435778933076
Energy: 1.3623512440553238
Energy: 1.304240415202323
Energy: 1.2468435778960434
Energy: 1.2730419118124447
Energy: 1.5047377873412897
Energy: 1.3483342805399734
Energy: 1.2730419118124447
Energy: 1.5047377873440257
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Energy: 1.3483342805399734
Energy: 1.2730419118124447
Energy: 1.4001883841414335
Energy: 1.2084146740579036
Energy: 1.32175175003161
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Energy: 1.2084146740606396
Energy: 1.32175175003161
Energy: 1.4001883841414335
Energy: 1.2084146740579036
Energy: 1.321751750028874
Energy: 1.4001883841386973
Energy: 1.383609267163198
Energy: 1.1903828350395314
Energy: 1.4015152858728477
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Energy: 1.1903686497578805
Energy: 1.4015152858701116
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Energy: 1.190382835036795
Energy: 1.4015152858673756
Energy: 1.3836092671659341
Energy: 1.3468164050206153
Energy: 1.4928862623212547
Energy: 1.4924843739898137
Energy: 1.3468164050233515
Energy: 1.4928862623157826
Energy: 1.5202471862395608
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Energy: 1.4928862623157826
Energy: 1.4924843739870777
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Energy: 1.2578602652484145
Energy: 1.3469608406308193
Energy: 1.2638425293062823
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Energy: 1.3205482397831556
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Energy: 1.2578602652484145
Energy: 1.3469608406308193
Energy: 1.2638425293117543
Energy: 1.2578602652456783
Energy: 1.229268618243863
Energy: 1.2889821113041229
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Energy: 1.2891611542632255
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Energy: 1.3702730184472496
Energy: 1.2924162707795845
Energy: 1.2619219172930605
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Energy: 1.3702730184445138
Energy: 1.2924162707795845
Energy: 1.2619219172930605
Energy: 1.4175292478184525
Energy: 1.2656886123700422
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Energy: 1.2656886123700422
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Energy: 1.3122076332365853
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Energy: 1.3122076332365853
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Energy: 1.2069897369514462
Energy: 1.3150295003787653
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Energy: 1.3150295003787653
Energy: 1.2551256651702114
Energy: 1.2069897369569187
Energy: 1.3150295003787653
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Energy: 1.2069897369541824
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Energy: 1.3856466936547378
Energy: 1.4622097424475515
Energy: 1.2581631497841244
Energy: 1.385646693652002
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Energy: 1.2581631497813883
Energy: 1.385646693652002
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Energy: 1.258163149778652
Energy: 1.2462811105731935
Energy: 1.3294398516740393
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Energy: 1.2656972791923404
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Energy: 1.2864739136684458
Energy: 1.2835234181821897
Energy: 1.3182918113269855
Energy: 1.3340819278104117
Energy: 1.509690806932338
Energy: 1.3275288982338391
Energy: 1.2508281676344712
Energy: 1.5096908069350743
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Energy: 1.2508281676317352
Energy: 1.5096908069350743
Energy: 1.3275288982338391
Energy: 1.250828167628999
Energy: 1.509690806932338
Energy: 1.4308316598331587
Energy: 1.369418994147671
Energy: 1.3587134642815757
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Energy: 1.4308316598304227
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Energy: 1.3730756173729086
Energy: 1.2648161966947353
Energy: 1.3106317008044563
Energy: 1.3136036761684386
Energy: 1.2650735863434677
Energy: 1.310631700798984
Energy: 1.3136036761711747
Energy: 1.2648161966947353
Energy: 1.310631700798984
Energy: 1.3136036761711747
Energy: 1.2650735863462035
Energy: 1.5299439595727224
Energy: 1.265468434535082
Energy: 1.3981535719124105
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Energy: 1.2654684345378175
Energy: 1.3981535719124105
Energy: 1.5299439595727224
Energy: 1.2654684345378175
Energy: 1.3981535719124105
Energy: 1.5299439595727224
Energy: 1.276434984733813
Energy: 1.4609390950707808
Energy: 1.3322296277867218
Energy: 1.2764349847283905
Energy: 1.4609390950680448
Energy: 1.3322296277894576
Energy: 1.2764349847311267
Energy: 1.4609390950680448
Energy: 1.3322296277894576
Energy: 1.276434984733813
Energy: 1.2887733472573661
Energy: 1.2893202406993567
Energy: 1.229877476742025
Energy: 1.2887733472573661
Energy: 1.2893202406993567
Energy: 1.229877476739289
Energy: 1.2887733472601022
Energy: 1.2893202406993567
Energy: 1.229877476736553
Energy: 1.2887733472573661
Energy: 1.3015544796692824
Energy: 1.3072158568798082
Energy: 1.2594548748100622
Energy: 1.3015544796720182
Energy: 1.3072158568798082
Energy: 1.2594548748127985
Energy: 1.3015544796692824
Energy: 1.3072158568798082
Energy: 1.2594548748100622
Energy: 1.3015544796692824
Energy: 1.5572614064078996
Energy: 1.3839410031979165
Energy: 1.3488067456012576
Energy: 1.4496589925228913
Energy: 1.3839410031924442
Energy: 1.3488067456012576
Energy: 1.5572614064078996
Energy: 1.3839410031924442
Energy: 1.3488067456012576
Energy: 1.4496589925228913
Energy: 1.4924040310688635
Energy: 1.207741480777827
Energy: 1.3606560985632168
Energy: 1.4924040310715998
Energy: 1.207741480780563
Energy: 1.360656098560481
Energy: 1.4924040310715998
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Energy: 1.3606560985632168
Energy: 1.4924040310661275
Energy: 1.3019031391888463
Energy: 1.3526874306458392
Energy: 1.2488012727061393
Energy: 1.3019031391888463
Energy: 1.3526874306485752
Energy: 1.2485439096976982
Energy: 1.30190313918611
Energy: 1.3526874306485752
Energy: 1.2488012727034035
Energy: 1.30190313918611
Energy: 1.3841355337306034
Energy: 1.4963274110082918
Energy: 1.2652954708503727
Energy: 1.3841355337306034
Energy: 1.4963274110110276
Energy: 1.2656016873759914
Energy: 1.3841355337333394
Energy: 1.4963274110137639
Energy: 1.2652954708503727
Energy: 1.3841355337306034
Energy: 1.3022530515935997
Energy: 1.4719607832540584
Energy: 1.2470778996751508
Energy: 1.3022530515908637
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Energy: 1.2470778996778868
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Energy: 1.4719607832540584
Energy: 1.2470778996806229
Energy: 1.3022530515908637
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Energy: 1.2152436926599726
Energy: 1.2226012530129686
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Energy: 1.2152436926627086
Energy: 1.2226012530102324
Energy: 1.2724789237033671
Energy: 1.2152436926599726
Energy: 1.2226012530102324
Energy: 1.2724789237006309
Energy: 1.2992321387685384
Energy: 1.350356777526346
Energy: 1.2998015344983187
Energy: 1.2992321387685384
Energy: 1.350356777526346
Energy: 1.2998015345010547
Energy: 1.2992321387658023
Energy: 1.3503567775290823
Energy: 1.2998015344955827
Energy: 1.2992321387658023
Energy: 1.408084662674913
Energy: 1.2050775554105901
Energy: 1.393918802077074
Energy: 1.408084662674913
Energy: 1.2050775554105901
Energy: 1.393918802074338
Energy: 1.4080846626721772
Energy: 1.2050775554105901
Energy: 1.393918802071602
Energy: 1.4080846626721772
Energy: 1.31232853071987
Energy: 1.3108209270822606
Energy: 1.4812838234707808
Energy: 1.31232853071987
Energy: 1.3108209270822606
Energy: 1.5231695468127084
Energy: 1.31232853071987
Energy: 1.3108209270822606
Energy: 1.481283823473517
Energy: 1.31232853071987
Energy: 1.205745648855444
Energy: 1.364972859461627
Energy: 1.251666407064109
Energy: 1.205745648855444
Energy: 1.3696889813501125
Energy: 1.2776530900495227
Energy: 1.205745648855444
Energy: 1.364972859461627
Energy: 1.251666407058637
Energy: 1.205745648855444
Energy: 1.2594926010569891
Energy: 1.2893079219259729
Energy: 1.2888645636420624
Energy: 1.2594926010569891
Energy: 1.2891760494659907
Energy: 1.2885831687769478
Energy: 1.2594926010569891
Energy: 1.2893079219259729
Energy: 1.288864563639326
Energy: 1.2594926010569891
Energy: 1.2253481982739212
Energy: 1.300197939019495
Energy: 1.2179098154014638
Energy: 1.2253481982739212
Energy: 1.249672751860486
Energy: 1.2179098147943528
Energy: 1.2253481982766572
Energy: 1.300197939019495
Energy: 1.217909813910998
Energy: 1.2253481982766572
Energy: 1.3630366987231413
Energy: 1.271399028275568
Energy: 1.2644940775304423
Energy: 1.3630366987204052
Energy: 1.2717350816693418
Energy: 1.2644940775331786
Energy: 1.3630366987204052
Energy: 1.2713990282728322
Energy: 1.2644940775331786
Energy: 1.3630366987204052
Energy: 1.5117192086164883
Energy: 1.34789380304287
Energy: 1.268847602555332
Energy: 1.5117192086192244
Energy: 1.34789380304287
Energy: 1.268847602555332
Energy: 1.5117192086164883
Energy: 1.347893803040134
Energy: 1.268847602555332
Energy: 1.5117192086137523

minimum gb energy = 1.1903686497578805 eV
minimum distance =  2.19258032140574 Angstroms
sigma value = 185


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

Energy: 1.0934455397372997
Energy: 0.7102516868205048
Energy: 0.7099216327963549
Energy: 0.6614329779356564
Energy: 0.7102516868221583
Energy: 0.7099216327950557
Energy: 1.093445539739603
Energy: 0.7102516868234574
Energy: 0.7099216327947605
Energy: 0.6614329779353021
Energy: 0.9470533655743607
Energy: 0.6991768709230951
Energy: 0.974223223961956
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Energy: 0.6991768709234493
Energy: 1.2350945077652755
Energy: 0.9470533655727664
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Energy: 0.9742232239616015
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Energy: 0.7150721522009847
Energy: 0.7820359354322797
Energy: 0.8215416998673969
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Energy: 0.7804421895811819
Energy: 0.7150721522048821
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Energy: 0.8215416998699951
Energy: 0.8130528269773467
Energy: 1.0136230286868644
Energy: 0.7105257904924327
Energy: 0.9015391173596841
Energy: 1.0136230286898171
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Energy: 0.8290513468814048
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Energy: 0.7105257904911335
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Energy: 1.013623028687514
Energy: 0.7101410988851542
Energy: 0.7370575385905757
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Energy: 0.7101410988851542
Energy: 1.0150752630075977
Energy: 0.9875766373146517
Energy: 0.866064638677828
Energy: 1.0150752630056488
Energy: 0.9260340595668558
Energy: 0.8976039241658492
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Energy: 1.0150752630095463
Energy: 0.7102763199165826
Energy: 0.8635436059877117
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Energy: 0.7102763199162282
Energy: 0.8635436059883613
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Energy: 1.0019443921137592
Energy: 0.8111180512617266
Energy: 0.6988055302104482
Energy: 1.0019443921102158
Energy: 0.7690723332549608
Energy: 0.698805530210094
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Energy: 1.0019443921118103
Energy: 0.79096386070847
Energy: 0.943980419381778
Energy: 0.7098127187427251
Energy: 0.8715094332853521
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Energy: 0.8715094332837579
Energy: 0.7689352827209772
Energy: 0.7503527862607993
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Energy: 0.7157004675989697
Energy: 0.7138163799172168
Energy: 0.6987302193294643
Energy: 0.7689352827167254
Energy: 0.750352786262748
Energy: 0.6987302193288147
Energy: 0.7157004675993239
Energy: 0.9022897047413955
Energy: 1.0256185346968005
Energy: 0.7375759252158617
Energy: 0.8877715467628375
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Energy: 0.7375759252158617
Energy: 0.9022897047407459
Energy: 1.0256185346996938
Energy: 0.7375759252145626
Energy: 0.8877715467605937
Energy: 0.7699796843593303
Energy: 0.7102516868205048
Energy: 0.7099216327963549
Energy: 0.7644395785252835
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Energy: 0.710251686823103
Energy: 0.7099216327944061
Energy: 0.7644395785249293
Energy: 0.9081446042471277
Energy: 0.6991768709224455
Energy: 1.0566015721735826
Energy: 0.8782165945415262
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Energy: 1.0902078026001263
Energy: 0.9081446042477773
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Energy: 0.8782165945418805
Energy: 0.7689841591248149
Energy: 0.7820359354329293
Energy: 0.7818748446881806
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Energy: 0.7820359354309805
Energy: 0.709565446531226
Energy: 0.7689841591287122
Energy: 0.7820359354319253
Energy: 0.7818748446881806
Energy: 0.7160226585467205
Energy: 1.0136230286872188
Energy: 0.710525790492728
Energy: 0.8290513468820544
Energy: 1.0136230286901124
Energy: 0.7105257904924327
Energy: 0.9018856832015372
Energy: 1.0136230286901124
Energy: 0.7105257904911335
Energy: 0.8290513468830584
Energy: 1.0136230286878682
Energy: 0.7101410988851542
Energy: 0.737057538590871
Energy: 0.768962353872503
Energy: 0.710141098886099
Energy: 0.7370575385915205
Energy: 0.8110126685940432
Energy: 0.7101410988854494
Energy: 0.73705753859217
Energy: 0.7689623538727982
Energy: 0.7101410988845046
Energy: 1.0150752630027553
Energy: 0.8929383750386994
Energy: 0.9016440263480694
Energy: 1.0150752630166917
Energy: 1.1091195744636355
Energy: 0.8279343054373811
Energy: 1.015075263001102
Energy: 0.8929383750497423
Energy: 0.901644026348719
Energy: 1.015075263011495
Energy: 0.7102763199165826
Energy: 0.8976258971046938
Energy: 1.0273120561487576
Energy: 0.7102763199155786
Energy: 0.8634345710759084
Energy: 1.027312056148108
Energy: 0.7102763199165826
Energy: 0.8976258971049892
Energy: 1.0273120561478128
Energy: 0.7102763199178818
Energy: 1.0019443921141133
Energy: 0.7233996199540708
Energy: 0.6988055302110978
Energy: 1.001944392111515
Energy: 0.7650741919348103
Energy: 0.6988055302097987
Energy: 1.0019443921085625
Energy: 0.7233996199540708
Energy: 0.6988055302094445
Energy: 1.001944392111515
Energy: 0.8715094332850569
Energy: 0.9058331145763688
Energy: 0.7098127187433747
Energy: 0.7030714320265362
Energy: 0.9737101216567079
Energy: 0.7098127187423708
Energy: 0.8715094332844074
Energy: 0.905833114575365
Energy: 0.7098127187420755
Energy: 0.7030714320291346
Energy: 0.715011798580515
Energy: 0.7138005142304933
Energy: 0.6987302193281651
Energy: 0.8086724531601488
Energy: 0.7917856664696308
Energy: 0.6987302193291691
Energy: 0.7150117985788617
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Energy: 0.8086724531578457
Energy: 0.9466159831950618
Energy: 1.0256185346974498
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Energy: 0.9022897047407459
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Energy: 0.7375759252152121
Energy: 0.9466159831957114
Energy: 1.025618534700048
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Energy: 0.9022897047407459
Energy: 1.0934455397366503
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Energy: 0.7099216327967092
Energy: 0.6614329779356564
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Energy: 1.093445539739603
Energy: 0.710251686823103
Energy: 0.7099216327950557
Energy: 0.6614329779356564
Energy: 0.9470533655740654
Energy: 0.6991768709227997
Energy: 0.9742232239622513
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Energy: 0.6991768709230951
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Energy: 0.6991768709227997
Energy: 0.9742232239609522
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Energy: 0.7820359354325749
Energy: 0.8215416998671017
Energy: 0.8130528269770515
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Energy: 0.7804421895805325
Energy: 0.7150721522052365
Energy: 0.7820359354319253
Energy: 0.8215416998696999
Energy: 0.8130528269766971
Energy: 1.0136230286868644
Energy: 0.7105257904924327
Energy: 0.9015391173603337
Energy: 1.0136230286898171
Energy: 0.7105257904924327
Energy: 0.8290513468814048
Energy: 1.0136230286901124
Energy: 0.7105257904911335
Energy: 0.9015391173616328
Energy: 1.0136230286878682
Energy: 0.7101410988854494
Energy: 0.737057538590871
Energy: 0.7652235193325058
Energy: 0.710141098886099
Energy: 0.7370575385915205
Energy: 0.7235939535866889
Energy: 0.710141098886099
Energy: 0.7370575385915205
Energy: 0.7652235193331554
Energy: 0.7101410988851542
Energy: 1.0150752630144477
Energy: 0.9875766373146517
Energy: 0.8660646386784776
Energy: 1.0150752630101958
Energy: 0.926034059569159
Energy: 0.8976039241655541
Energy: 1.0150752630101958
Energy: 0.9875766373146517
Energy: 0.8660646386784776
Energy: 1.0150752630111997
Energy: 0.7102763199165826
Energy: 0.8635436059873574
Energy: 1.0273120561487576
Energy: 0.7102763199152834
Energy: 0.9001723444546853
Energy: 1.0273120561484623
Energy: 0.7102763199162282
Energy: 0.8635436059883613
Energy: 1.0273120561478128
Energy: 0.7102763199175274
Energy: 1.0019443921118103
Energy: 0.8111180512623762
Energy: 0.6988055302107435
Energy: 1.0019443921108653
Energy: 0.7690723332549608
Energy: 0.6988055302097987
Energy: 1.0019443921105111
Energy: 0.8111180512669233
Energy: 0.6988055302094445
Energy: 1.0019443921118103
Energy: 0.7909638607087653
Energy: 0.9439804193814239
Energy: 0.7098127187430203
Energy: 0.8715094332853521
Energy: 0.905833114575365
Energy: 0.7098127187423708
Energy: 0.7909638607071711
Energy: 0.9439804193837267
Energy: 0.7098127187417212
Energy: 0.8715094332834034
Energy: 0.768935282720623
Energy: 0.7503527862601498
Energy: 0.6987302193288147
Energy: 0.7157004675989697
Energy: 0.7138163799178663
Energy: 0.6987302193294643
Energy: 0.7689352827167254
Energy: 0.7503527862633976
Energy: 0.6987302193291691
Energy: 0.7157004675989697
Energy: 0.9022897047400963
Energy: 1.0256185346970954
Energy: 0.7375759252155666
Energy: 0.8877715467628375
Energy: 1.0256185346970954
Energy: 0.7375759252158617
Energy: 0.9022897047403916
Energy: 1.0256185346993985
Energy: 0.7375759252142673
Energy: 0.8877715467605937

minimum gb energy = 0.6614329779353021 eV
minimum distance =  2.31884612386052 Angstroms
sigma value = 33


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

Energy: 1.2332188427596569
Energy: 1.2680385546905457
Energy: 1.2556813723742302
Energy: 1.207963162857345
Energy: 1.2680385546941118
Energy: 1.2556813723742302
Energy: 1.233218842757874
Energy: 1.2680385546923287
Energy: 1.2556813723742302
Energy: 1.207963162857345
Energy: 1.26471542894325
Energy: 1.2028503090768488
Energy: 1.2394501306328785
Energy: 1.26471542894325
Energy: 1.2028503090768488
Energy: 1.2394501306310954
Energy: 1.264715428945033
Energy: 1.2028503090768488
Energy: 1.2394501306293124
Energy: 1.264715428945033
Energy: 1.2461104964221021
Energy: 1.1812929515882167
Energy: 1.2343271678939602
Energy: 1.268934233173355
Energy: 1.1812929515882167
Energy: 1.2343271678939602
Energy: 1.2461104964203191
Energy: 1.1812929515864337
Energy: 1.2343271678939602
Energy: 1.2471550600331751
Energy: 1.3077521541232302
Energy: 1.1437008066401084
Energy: 1.3398712608274308
Energy: 1.307752154121447
Energy: 1.1437008066401084
Energy: 1.3398712608292138
Energy: 1.3077521541232302
Energy: 1.1437008066418914
Energy: 1.3398712608274308
Energy: 1.3077521541232302
Energy: 1.3073236101595413
Energy: 1.2113745173964274
Energy: 1.178873229496347
Energy: 1.3073236101577583
Energy: 1.2113745173964274
Energy: 1.178873229496347
Energy: 1.3073236101577583
Energy: 1.2113745173946444
Energy: 1.178873229496347
Energy: 1.3073236101613244
Energy: 1.2087934601002708
Energy: 1.2783250938594095
Energy: 1.2662832592593647
Energy: 1.2087934600967047
Energy: 1.278325093857659
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Energy: 1.227333010779956
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Energy: 1.2321899033675785
Energy: 1.1260946105400047
Energy: 1.309543745967847
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Energy: 1.1260946105382217
Energy: 1.30954374596963
Energy: 1.2321899033675785
Energy: 1.2438917279509623
Energy: 1.1927810822178764
Energy: 1.2773946542585666
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Energy: 1.2773946542567836
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Energy: 1.2527239314657774
Energy: 1.2994654935426433
Energy: 1.2155298043788283
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Energy: 1.2527239314639944
Energy: 1.2994654935408603
Energy: 1.2155298043770453
Energy: 1.2527239314657774
Energy: 1.1604513210163616
Energy: 1.243335506430339
Energy: 1.327488260292586
Energy: 1.1604513210163616
Energy: 1.2434032483573538
Energy: 1.3277443662093533
Energy: 1.1604513210163616
Energy: 1.2433355064338727
Energy: 1.327488260292586
Energy: 1.1604513210163616
Energy: 1.1808730934137985
Energy: 1.2005688163195614
Energy: 1.2331566435124517
Energy: 1.1808730934102327
Energy: 1.2006690046722146
Energy: 1.2332076220365586
Energy: 1.1808730934120157
Energy: 1.2005688163213444
Energy: 1.2331566435106687
Energy: 1.1808730934137985
Energy: 1.1501873041593471
Energy: 1.2634270654894213
Energy: 1.2075839763689609
Energy: 1.1501873041611301
Energy: 1.2634270654876383
Energy: 1.2075839763707439
Energy: 1.1501873041611301
Energy: 1.2634270654876383
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Energy: 1.1501873041593471
Energy: 1.2616316159776229
Energy: 1.202759260122898
Energy: 1.2553682843726786
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Energy: 1.2553682843708955
Energy: 1.26163161597584
Energy: 1.202759260122898
Energy: 1.2553682843708955
Energy: 1.26163161597584
Energy: 1.2256103176870925
Energy: 1.2605279519480372
Energy: 1.19446507529838
Energy: 1.2256103176870925
Energy: 1.2605279519480372
Energy: 1.194465075300163
Energy: 1.2256103176888755
Energy: 1.2605279519498203
Energy: 1.1944650753019461
Energy: 1.2256103176888755
Energy: 1.2305600050395105
Energy: 1.317745355071647
Energy: 1.1900190832471897
Energy: 1.2305600050395105
Energy: 1.317745355069864
Energy: 1.1900190832471897
Energy: 1.2305600050395105
Energy: 1.317745355069864
Energy: 1.1900190832454067
Energy: 1.2305600050395105
Energy: 1.3135210491288707
Energy: 1.2676874268228244
Energy: 1.1670489887277358
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Energy: 1.1914907917012214
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Energy: 1.2751003288777472
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Energy: 1.1914907917047872
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Energy: 1.2107883830675665
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Energy: 1.2289367996123637
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Energy: 1.1954299488771891
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Energy: 1.1954299488771891
Energy: 1.2451272120468704
Energy: 1.2873398056230068
Energy: 1.3335863636451477
Energy: 1.2451272120468704
Energy: 1.287339805621224
Energy: 1.3335863636451477
Energy: 1.2451272120468704
Energy: 1.287339805621224
Energy: 1.3335863636433647
Energy: 1.2451272120486534
Energy: 1.2680905240199734
Energy: 1.1947412212081623
Energy: 1.198921219063141
Energy: 1.2680905240217561
Energy: 1.1947412212045965
Energy: 1.1989212190613585
Energy: 1.2680905240217561
Energy: 1.1947412212028137
Energy: 1.1989212190595755
Energy: 1.2680905240217561
Energy: 1.2273882132346166
Energy: 1.2779744200263785
Energy: 1.2376921250818311
Energy: 1.2273882132346166
Energy: 1.2779744200263785
Energy: 1.2376921250818311
Energy: 1.2273882132328335
Energy: 1.2779744200263785
Energy: 1.2376921250818311
Energy: 1.2273882132328335
Energy: 1.1747657198213874
Energy: 1.340361554937252
Energy: 1.2501885511754445
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Energy: 1.340361554937252
Energy: 1.2501885511754445
Energy: 1.1747657198213874
Energy: 1.340361554939035
Energy: 1.2501885511772273
Energy: 1.1747657198213874

minimum gb energy = 1.1260946105382217 eV
minimum distance =  2.20242137737348 Angstroms
sigma value = 219


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

Energy: 1.3845761066834255
Energy: 1.537459957829256
Energy: 1.5373375826918045
Energy: 1.3845761066834255
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Energy: 1.4034010946255515
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Energy: 1.4155537178034898
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Energy: 1.4034010946243716
Energy: 1.5539006082999727
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Energy: 1.5621225444755593
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Energy: 1.5522928583724709
Energy: 1.461093512973817
Energy: 1.4235021695813619
Energy: 1.3840449446382428
Energy: 1.4026014602489036
Energy: 1.403129958292975
Energy: 1.38404349676519
Energy: 1.457094998238896
Energy: 1.403129958292975
Energy: 1.3840434029632092
Energy: 1.4026014602489036
Energy: 1.403129958292975
Energy: 1.3840431752662314
Energy: 1.3836217463002247
Energy: 1.7567155354556663
Energy: 1.5374052542383332
Energy: 1.3836217463002247
Energy: 1.7567155354556663
Energy: 1.5374052542383332
Energy: 1.3836217463002247
Energy: 1.7567155354556663
Energy: 1.5374052542383332
Energy: 1.3836217463002247
Energy: 1.4632847346746833
Energy: 1.472251871827412
Energy: 1.5387829931304837
Energy: 1.4632847346746833
Energy: 1.472251871827412
Energy: 1.5387829931304837
Energy: 1.4632847346746833
Energy: 1.4722518718285922
Energy: 1.5387829931304837
Energy: 1.4632847346746833

minimum gb energy = 1.3836217463002247 eV
minimum distance =  2.24451976048935 Angstroms
sigma value = 15


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

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Energy: 1.642151376842258
Energy: 1.6912354609307128
Energy: 1.5801958321379166
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Energy: 1.7224013760468302
Energy: 1.6105675634830001
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Energy: 1.6105675634830001
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Energy: 1.6453766598145243
Energy: 1.7585577069802905
Energy: 1.5325145323516165
Energy: 1.6155775231153064
Energy: 1.7585577069780747
Energy: 1.5325145323516165
Energy: 1.5814878424030023
Energy: 1.7585577069780747
Energy: 1.5325145323516165
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minimum gb energy = 1.5248896023813732 eV
minimum distance =  2.17439226410669 Angstroms
sigma value = 293


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

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Energy: 1.517594941362888
Energy: 1.535563197128031
Energy: 1.6058435755008733
Energy: 1.6383748927244497
Energy: 1.5398156184882246
Energy: 1.605843575498208
Energy: 1.6383748927244497
Energy: 1.5398156184882246
Energy: 1.605843575498208
Energy: 1.6383748927244497
Energy: 1.5398156184882246
Energy: 1.6058435755008733
Energy: 1.543208308132158
Energy: 1.5747432804996497
Energy: 1.5748597253562282
Energy: 1.543208308132158
Energy: 1.5747432804996497
Energy: 1.5748597253535628
Energy: 1.543208308132158
Energy: 1.5747432804969848
Energy: 1.5748597253535628
Energy: 1.543208308132158
Energy: 1.6059037381226804
Energy: 1.5398511257957028
Energy: 1.6386324213991403
Energy: 1.6059037381226804
Energy: 1.5398511257957028
Energy: 1.6386324213991403
Energy: 1.605903738125346
Energy: 1.5398511257930372
Energy: 1.6386324213991403
Energy: 1.6059037381226804
Energy: 1.53532998047708
Energy: 1.5175589393300257
Energy: 1.5297698578744685
Energy: 1.5353299804744147
Energy: 1.5175589393300257
Energy: 1.5297698578771337
Energy: 1.5353299804744147
Energy: 1.5175589393300257
Energy: 1.5297698578744685
Energy: 1.5353299804744147
Energy: 1.5902546803384923
Energy: 1.5119002741646366
Energy: 1.5740719103775498
Energy: 1.5902546803384923
Energy: 1.5119002741646366
Energy: 1.574071910380215
Energy: 1.5902546803384923
Energy: 1.5119002741646366
Energy: 1.5740719103775498
Energy: 1.5902546803384923
Energy: 1.7342093689382818
Energy: 1.5113099593218142
Energy: 1.5205643443377677
Energy: 1.7342093689356164
Energy: 1.5113099593218142
Energy: 1.5205643443377677
Energy: 1.7342093689382818
Energy: 1.5113099593218142
Energy: 1.5205643443377677
Energy: 1.7342093689382818
Energy: 1.6411389974038173
Energy: 1.642138415408235
Energy: 1.6647764994110905
Energy: 1.6411389974038173
Energy: 1.642138415408235
Energy: 1.6647764994110905
Energy: 1.6411389974038173
Energy: 1.642138415408235
Energy: 1.6647764994110905
Energy: 1.6411389974038173
Energy: 1.5113580628440408
Energy: 1.7057327615782467
Energy: 1.527468522428101
Energy: 1.5113580628467063
Energy: 1.7057327615782467
Energy: 1.5274685224254356
Energy: 1.5113580628467063
Energy: 1.7057327615782467
Energy: 1.527468522428101
Energy: 1.5113580628467063
Energy: 1.7074679283506227
Energy: 1.578002457859587
Energy: 1.5782037883625282
Energy: 1.7074679283506227
Energy: 1.578002457859587
Energy: 1.5782037883625282
Energy: 1.7074679283506227
Energy: 1.578002457859587
Energy: 1.5782037883625282
Energy: 1.7074679283506227
Energy: 1.513120227679093
Energy: 1.6936435319392966
Energy: 1.7053950864567917
Energy: 1.513120227679093
Energy: 1.6936435319392966
Energy: 1.7053950864567917
Energy: 1.513120227679093
Energy: 1.6936435319392966
Energy: 1.7053950864567917
Energy: 1.513120227679093
Energy: 1.628538378684035
Energy: 1.6648157739232197
Energy: 1.6420853395916872
Energy: 1.628538378684035
Energy: 1.664815773920554
Energy: 1.6420853395916872
Energy: 1.628538378684035
Energy: 1.664815773920554
Energy: 1.6420853395916872
Energy: 1.628538378684035
Energy: 1.7343645779428862
Energy: 1.5206901386524976
Energy: 1.5114453182594052
Energy: 1.7343645779428862
Energy: 1.5206901386498324
Energy: 1.5114453182594052
Energy: 1.7343645779428862
Energy: 1.5206901386524976
Energy: 1.5114453182620706
Energy: 1.7343645779428862
Energy: 1.5901813652605392
Energy: 1.5727488188626506
Energy: 1.5124114405954432
Energy: 1.5901813652605392
Energy: 1.5727488188626506
Energy: 1.5124114405981086
Energy: 1.5901813652605392
Energy: 1.5727488188626506
Energy: 1.5124114405981086
Energy: 1.5901813652605392

minimum gb energy = 1.5113099593191488 eV
minimum distance =  2.18051029524514 Angstroms
sigma value = 293


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

Energy: 1.5216042028282881
Energy: 1.5227728905518716
Energy: 1.5225948239201277
Energy: 1.521604202827806
Energy: 1.5227728905509081
Energy: 1.5225948239201277
Energy: 1.5216042028282881
Energy: 1.5227728905509081
Energy: 1.5225948239186824
Energy: 1.521604202827806
Energy: 1.5200568710978353
Energy: 1.522115986489632
Energy: 1.5222925992901182
Energy: 1.5200568710992803
Energy: 1.522115986489632
Energy: 1.5222925992901182
Energy: 1.5200568710983169
Energy: 1.5221159864886686
Energy: 1.5222925992896363
Energy: 1.5200568710978353
Energy: 1.5202570582631334
Energy: 1.520254435337206
Energy: 1.6027023019831659
Energy: 1.5202570582631334
Energy: 1.5202544353376877
Energy: 1.6027115444665656
Energy: 1.5202570582636152
Energy: 1.5202544353381695
Energy: 1.6026602190964954
Energy: 1.5202570582631334
Energy: 1.6026832594935747
Energy: 1.5203455664746486
Energy: 1.520208162851869
Energy: 1.602655343903556
Energy: 1.5203455664751302
Energy: 1.520208162852351
Energy: 1.6026810157317462
Energy: 1.520345566475612
Energy: 1.520208162852351
Energy: 1.6026504662264784
Energy: 1.5222774808805062
Energy: 1.5219860165483858
Energy: 1.5201820249192999
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Energy: 1.520182024920745
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Energy: 1.5219860165479042
Energy: 1.5201820249202633
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Energy: 1.5227728905513898
Energy: 1.5225948239196458
Energy: 1.521604202827806
Energy: 1.5227728905513898
Energy: 1.5225948239196458
Energy: 1.521604202827806
Energy: 1.5227728905513898
Energy: 1.5225948239191642
Energy: 1.5216042028282881
Energy: 1.5227728905509081
Energy: 1.522115986489632
Energy: 1.5222925992891547
Energy: 1.5200568710978353
Energy: 1.522115986489632
Energy: 1.5222925992901182
Energy: 1.5200568710973534
Energy: 1.522115986489632
Energy: 1.5222925992901182
Energy: 1.5200568710968718
Energy: 1.5221159864891503
Energy: 1.5202544353386511
Energy: 1.602672151677666
Energy: 1.5202570582631334
Energy: 1.520254435337206
Energy: 1.6026797712432235
Energy: 1.520257058264097
Energy: 1.5202544353381695
Energy: 1.6026635500137918
Energy: 1.5202570582631334
Energy: 1.5202544353381695
Energy: 1.5203455664751302
Energy: 1.520208162853796
Energy: 1.6026942532551223
Energy: 1.520345566475612
Energy: 1.520208162851869
Energy: 1.6026537048730405
Energy: 1.5203455664741667
Energy: 1.520208162852351
Energy: 1.6026443110688717
Energy: 1.5203455664741667
Energy: 1.5219860165483858
Energy: 1.5201820249183362
Energy: 1.5222774808809878
Energy: 1.5219860165483858
Energy: 1.5201820249197815
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Energy: 1.5219860165483858
Energy: 1.5201820249192999
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Energy: 1.5219860165483858
Energy: 1.5225948239191642
Energy: 1.5216042028282881
Energy: 1.5227728905499447
Energy: 1.5225948239201277
Energy: 1.521604202827806
Energy: 1.5227728905504263
Energy: 1.5225948239196458
Energy: 1.5216042028282881
Energy: 1.5227728905513898
Energy: 1.5225948239206093
Energy: 1.5222925992896363
Energy: 1.5200568710978353
Energy: 1.522115986489632
Energy: 1.5222925992896363
Energy: 1.5200568710978353
Energy: 1.5221159864891503
Energy: 1.5222925992896363
Energy: 1.5200568710983169
Energy: 1.522115986489632
Energy: 1.5222925992891547
Energy: 1.6027088981703912
Energy: 1.5202570582631334
Energy: 1.5202544353376877
Energy: 1.6026467037708607
Energy: 1.5202570582636152
Energy: 1.5202544353376877
Energy: 1.6027076672285516
Energy: 1.5202570582636152
Energy: 1.5202544353381695
Energy: 1.602663190067199
Energy: 1.520208162852351
Energy: 1.6026777715211755
Energy: 1.5203455664746486
Energy: 1.5202081628528326
Energy: 1.6026567732547348
Energy: 1.5203455664741667
Energy: 1.520208162851869
Energy: 1.6026595017650511
Energy: 1.5203455664765755
Energy: 1.520208162852351
Energy: 1.5201820249197815
Energy: 1.5222774808809878
Energy: 1.5219860165488677
Energy: 1.520182024918818
Energy: 1.5222774808809878
Energy: 1.5219860165479042
Energy: 1.5201820249183362
Energy: 1.5222774808809878
Energy: 1.5219860165483858
Energy: 1.5201820249197815
Energy: 1.5216042028282881
Energy: 1.5227728905509081
Energy: 1.5225948239201277
Energy: 1.5216042028282881
Energy: 1.5227728905504263
Energy: 1.5225948239196458
Energy: 1.5216042028282881
Energy: 1.5227728905509081
Energy: 1.5225948239196458
Energy: 1.5216042028282881
Energy: 1.5200568710983169
Energy: 1.522115986489632
Energy: 1.5222925992901182
Energy: 1.5200568710983169
Energy: 1.522115986489632
Energy: 1.5222925992896363
Energy: 1.5200568710983169
Energy: 1.522115986489632
Energy: 1.5222925992906
Energy: 1.5200568710983169
Energy: 1.5202570582631334
Energy: 1.520254435337206
Energy: 1.6026465825471266
Energy: 1.5202570582636152
Energy: 1.520254435337206
Energy: 1.602672579230935
Energy: 1.5202570582631334
Energy: 1.5202544353367242
Energy: 1.602706045374864
Energy: 1.5202570582636152
Energy: 1.6026606150445444
Energy: 1.520345566475612
Energy: 1.520208162852351
Energy: 1.6026550316777897
Energy: 1.5203455664741667
Energy: 1.5202081628528326
Energy: 1.6026704797442652
Energy: 1.520345566475612
Energy: 1.5202081628528326
Energy: 1.6026879710464381
Energy: 1.5222774808809878
Energy: 1.5219860165483858
Energy: 1.520182024918818
Energy: 1.5222774808814696
Energy: 1.5219860165483858
Energy: 1.5201820249197815
Energy: 1.5222774808814696
Energy: 1.5219860165483858
Energy: 1.520182024920745
Energy: 1.5222774808809878
Energy: 1.5227728905513898
Energy: 1.5225948239210911
Energy: 1.5216042028282881
Energy: 1.5227728905504263
Energy: 1.5225948239206093
Energy: 1.521604202827806
Energy: 1.5227728905509081
Energy: 1.5225948239196458
Energy: 1.5216042028282881
Energy: 1.5227728905509081
Energy: 1.522115986489632
Energy: 1.5222925992896363
Energy: 1.5200568710983169
Energy: 1.522115986489632
Energy: 1.5222925992901182
Energy: 1.5200568710978353
Energy: 1.5221159864891503
Energy: 1.5222925992901182
Energy: 1.5200568710987987
Energy: 1.522115986489632

minimum gb energy = 1.5200568710968718 eV
minimum distance =  2.26324033519006 Angstroms
sigma value = 15


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

Energy: 1.623994482661195
Energy: 1.5914385512154983
Energy: 1.658482948868745
Energy: 1.6004836007522407
Energy: 1.5914385512133147
Energy: 1.658482948868745
Energy: 1.623994482661195
Energy: 1.5914385512154983
Energy: 1.658482948868745
Energy: 1.6004836007522407
Energy: 1.532304456775132
Energy: 1.5352571754772828
Energy: 1.4954843679013712
Energy: 1.5323044567729485
Energy: 1.5352571754794666
Energy: 1.4954843678991876
Energy: 1.532304456775132
Energy: 1.5352571754772828
Energy: 1.4954843678991876
Energy: 1.532304456777316
Energy: 1.5582211005490751
Energy: 1.6060190479858667
Energy: 1.7606994687707158
Energy: 1.5582211005468916
Energy: 1.606019047983683
Energy: 1.7606994687685322
Energy: 1.5582211005490751
Energy: 1.606019047983683
Energy: 1.7606994687685322
Energy: 1.558221100551259
Energy: 1.497233884032878
Energy: 1.6061064089635155
Energy: 1.4864445236502049
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Energy: 1.6061064089656993
Energy: 1.486444523648021
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Energy: 1.6061064089656993
Energy: 1.4864445236436536
Energy: 1.4972338840306942
Energy: 1.5480150833407411
Energy: 1.5346938623247572
Energy: 1.7092067659347954
Energy: 1.548015083342925
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Energy: 1.5346938623247572
Energy: 1.7092067659347954
Energy: 1.5480150833385575
Energy: 1.5637914413335894
Energy: 1.6129872980250932
Energy: 1.4867272293900573
Energy: 1.563791441335773
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Energy: 1.6129872980229096
Energy: 1.4867272293900573
Energy: 1.5637914413335894
Energy: 1.6231611845281606
Energy: 1.680216695700314
Energy: 1.5357025493099412
Energy: 1.6231785882229897
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Energy: 1.535702549312125
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Energy: 1.6802166957024978
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Energy: 1.6231785882208059
Energy: 1.524934655749849
Energy: 1.721146423869959
Energy: 1.602422643336929
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Energy: 1.602422643339113
Energy: 1.524934655747665
Energy: 1.9195546972893016
Energy: 1.585656067650788
Energy: 1.5836283702347425
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Energy: 1.5836283702347425
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Energy: 1.5856560676529716
Energy: 1.5836283702347425
Energy: 1.9195546972893016
Energy: 1.514351864334833
Energy: 1.7217544263683202
Energy: 1.615301737103267
Energy: 1.5143513731697582
Energy: 1.7217544262831954
Energy: 1.615301737103267
Energy: 1.514351864334833
Energy: 1.721754426339932
Energy: 1.6153017371054508
Energy: 1.5143513731653908
Energy: 1.6302323567161412
Energy: 1.483758818585386
Energy: 1.5873906027597127
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Energy: 1.483758818585386
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Energy: 1.6302323567205084
Energy: 1.483758818585386
Energy: 1.5873906027597127
Energy: 1.6302323567183248
Energy: 1.6716934638636731
Energy: 1.497976616347118
Energy: 1.7738870419464836
Energy: 1.6716934638636731
Energy: 1.4979773698308234
Energy: 1.7738870419486672
Energy: 1.6716934638658567
Energy: 1.497976616347118
Energy: 1.7738870419486672
Energy: 1.6716934638658567
Energy: 1.650560086499505
Energy: 1.4852503110580193
Energy: 1.5935668562248988
Energy: 1.650560086497321
Energy: 1.4852503110602029
Energy: 1.5935668562270826
Energy: 1.650560086497321
Energy: 1.4852503110602029
Energy: 1.5935668562270826
Energy: 1.650560086499505
Energy: 1.485149460589004
Energy: 1.4990575830511048
Energy: 1.6907433269337628
Energy: 1.485149460591188
Energy: 1.4990575830532886
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Energy: 1.4851494605933715
Energy: 1.4990575830532886
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Energy: 1.485149460591188
Energy: 1.6186639963123934
Energy: 1.7364533140408496
Energy: 1.5116107280211846
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Energy: 1.7364533140387057
Energy: 1.5116115088371007
Energy: 1.6186639963145772
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Energy: 1.5116107280211846
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Energy: 1.5112699416903665
Energy: 1.7506447749943717
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Energy: 1.7506447749987388
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Energy: 1.5618431490067834
Energy: 1.781972616036281
Energy: 1.6515204536146395
Energy: 1.5618434966877666
Energy: 1.7819726160340974
Energy: 1.6515204536146395
Energy: 1.5618431490067834
Energy: 1.781972616036281
Energy: 1.651520453612456
Energy: 1.5618434966899502
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Energy: 1.5287657275870186
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Energy: 1.8103181714323442
Energy: 1.544575640551568
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Energy: 1.5359825480456488
Energy: 1.6876386503578684
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Energy: 1.5359825480456488
Energy: 1.6876386503556848
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Energy: 1.6477686281957225
Energy: 1.7276961722917008
Energy: 1.4984941525570574
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Energy: 1.4984941525592412
Energy: 1.6477686282000898
Energy: 1.7276961722938846
Energy: 1.4984941525592412
Energy: 1.6477686281979063
Energy: 1.6305449404945664
Energy: 1.6117292641717567
Energy: 1.5947420265301628
Energy: 1.6305460945621835
Energy: 1.611743054332767
Energy: 1.594742026527979
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Energy: 1.5947420265301628
Energy: 1.6305460945643673
Energy: 1.494221049296896
Energy: 1.6176147386148292
Energy: 1.501396477254939
Energy: 1.494221049296896
Energy: 1.6176147386126454
Energy: 1.5013964772570831
Energy: 1.4942210492990797
Energy: 1.6176147386148292
Energy: 1.501396477259267
Energy: 1.4942210492990797
Energy: 1.555616628756887
Energy: 1.5671631706861464
Energy: 1.6335515980525628
Energy: 1.555616628756887
Energy: 1.5671631706861464
Energy: 1.633551598050379
Energy: 1.555616628756887
Energy: 1.5671631706905138
Energy: 1.6335515980525628
Energy: 1.555616628756887
Energy: 1.5219324921161104
Energy: 1.6783177143754169
Energy: 1.6221849568253652
Energy: 1.5219313733367656
Energy: 1.6783177143754169
Energy: 1.5976322474578295
Energy: 1.5219324921204778
Energy: 1.6783177143754169
Energy: 1.6221849568253652
Energy: 1.5219313733367656
Energy: 1.5525310338054055
Energy: 1.4742121354323414
Energy: 1.5861505703648597
Energy: 1.552531033801038
Energy: 1.474212135434525
Energy: 1.586150570362676
Energy: 1.552531033801038
Energy: 1.4742121354323414
Energy: 1.586150570362676
Energy: 1.5525310338032219
Energy: 1.788107577434154
Energy: 1.6821552408301899
Energy: 1.7791176138125395
Energy: 1.788107577434154
Energy: 1.6821552408323737
Energy: 1.7791176138125395
Energy: 1.7881075774297865
Energy: 1.6821552408323737
Energy: 1.779117613814723
Energy: 1.7881075774297865
Energy: 1.6066212662410015
Energy: 1.484891084124117
Energy: 1.5434897376258143
Energy: 1.6076551172276745
Energy: 1.4848758244404336
Energy: 1.5434897376258143
Energy: 1.6066212662410015
Energy: 1.484891084124117
Energy: 1.5434897376258143
Energy: 1.6076551172233071
Energy: 1.5163593676885123
Energy: 1.5160519055322306
Energy: 1.6281293537763026
Energy: 1.5163593676885123
Energy: 1.5160519055322306
Energy: 1.6281293537763026
Energy: 1.5163593676906961
Energy: 1.5160519055322306
Energy: 1.6281293537763026
Energy: 1.5163593676906961
Energy: 1.6907057161970387
Energy: 1.6403600307027322
Energy: 1.5110360607597175
Energy: 1.6907057161970387
Energy: 1.6403600307049158
Energy: 1.5102641546961246
Energy: 1.6907057161948549
Energy: 1.6403600307049158
Energy: 1.5110360607619011
Energy: 1.6907057161970387
Energy: 1.4832735456109967
Energy: 1.645777672675723
Energy: 1.7041629804862608
Energy: 1.4832735456109967
Energy: 1.6457776726735391
Energy: 1.7041629804862608
Energy: 1.4832735456131803
Energy: 1.6457776726713556
Energy: 1.7041629804840774
Energy: 1.4832735456109967
Energy: 1.6262539723757126
Energy: 1.6590409008002516
Energy: 1.5536435326808715
Energy: 1.6030887620365644
Energy: 1.6590409008024352
Energy: 1.553643532678688
Energy: 1.6262539723757126
Energy: 1.6590409008024352
Energy: 1.5536435326743205
Energy: 1.6030887620387482
Energy: 1.6243894614798007
Energy: 1.72576143805048
Energy: 1.6545543093026005
Energy: 1.6016025391078064
Energy: 1.7257614380482962
Energy: 1.650278716370592
Energy: 1.6243894614819845
Energy: 1.7257614380461126
Energy: 1.654554309304784
Energy: 1.6016025391099902
Energy: 1.4957513971272807
Energy: 1.8974048686701475
Energy: 1.626166163346856
Energy: 1.4957513971294645
Energy: 1.897404868667964
Energy: 1.626166163346856
Energy: 1.4957513971294645
Energy: 1.897404868667964
Energy: 1.626166163346856
Energy: 1.4957513971272807
Energy: 1.574948284905558
Energy: 1.5112898028353632
Energy: 1.7005121459097865
Energy: 1.574948284949232
Energy: 1.511289802837547
Energy: 1.7005121459097865
Energy: 1.5749482848488214
Energy: 1.511289802837547
Energy: 1.7005121459097865
Energy: 1.5749482849339462
Energy: 1.6141877596966412
Energy: 1.6734938222565994
Energy: 1.5042059515145272
Energy: 1.6141877596966412
Energy: 1.6734938222587834
Energy: 1.5041421153304306
Energy: 1.6141877596966412
Energy: 1.6734938222565994
Energy: 1.5042059515145272
Energy: 1.6141877596966412
Energy: 1.7164539194541
Energy: 1.5845043811638087
Energy: 1.4986523293670913
Energy: 1.716453919451916
Energy: 1.5845043811659922
Energy: 1.498652329369275
Energy: 1.716453919451916
Energy: 1.5845043811659922
Energy: 1.4986523293714191
Energy: 1.716453919451916
Energy: 1.6669319579653439
Energy: 1.6606079896966763
Energy: 1.508590036511547
Energy: 1.6669319579653439
Energy: 1.66060798969886
Energy: 1.5085900365093632
Energy: 1.6669319579653439
Energy: 1.6606079897010437
Energy: 1.508590036511547
Energy: 1.6669319579653439
Energy: 1.5791553865675347
Energy: 1.583250632695565
Energy: 1.4963689327416476
Energy: 1.5791553865675347
Energy: 1.5832506326933813
Energy: 1.4963689327416476
Energy: 1.5791553865675347
Energy: 1.5832506326933813
Energy: 1.4963689327416476
Energy: 1.5791553865675347
Energy: 1.5156440992054623
Energy: 1.6144212904386623
Energy: 1.647873667281008
Energy: 1.5156440992032787
Energy: 1.6144212904364783
Energy: 1.6478736672788243
Energy: 1.5156440992032787
Energy: 1.6144212904364783
Energy: 1.647873667283192
Energy: 1.5156440992054623
Energy: 1.6746092667065229
Energy: 1.6071712051169948
Energy: 1.5836753313862317
Energy: 1.6746092667065229
Energy: 1.6071712051148113
Energy: 1.5836753313862317
Energy: 1.6746092667087065
Energy: 1.6071712051126277
Energy: 1.5836753313840481
Energy: 1.6746092667087065
Energy: 1.9313701423076188
Energy: 1.4846458310963775
Energy: 1.6237173155857634
Energy: 1.9313701423076188
Energy: 1.4846458310963775
Energy: 1.6237173155857634
Energy: 1.9313701423076188
Energy: 1.4846458310963775
Energy: 1.6237173155857634
Energy: 1.9313701423098026
Energy: 1.6050671367714269
Energy: 1.988502068568282
Energy: 1.6130652962113485
Energy: 1.6050671367692433
Energy: 1.9885020685704655
Energy: 1.6130652962113485
Energy: 1.6050671367670597
Energy: 1.9885020685704655
Energy: 1.6130652962069811
Energy: 1.6050671367714269
Energy: 1.6374128719298162
Energy: 1.4855787160438931
Energy: 1.8836626307087116
Energy: 1.6374128719319998
Energy: 1.4855757813160044
Energy: 1.8836626307130788
Energy: 1.6374128719298162
Energy: 1.4855787160417093
Energy: 1.8836626307152626
Energy: 1.6374128719276324
Energy: 1.5102615133629356
Energy: 1.5287239106616521
Energy: 1.659510292611144
Energy: 1.510261513367303
Energy: 1.5287239106594686
Energy: 1.659510292611144
Energy: 1.510261513360752
Energy: 1.5287239106616521
Energy: 1.659510292611144
Energy: 1.510261513360752
Energy: 1.5362366812481076
Energy: 1.5660684358021377
Energy: 1.5100225107946588
Energy: 1.5362366812459636
Energy: 1.5660684357999541
Energy: 1.5100218656879805
Energy: 1.5362366812459636
Energy: 1.5660684357999541
Energy: 1.5100225107881078
Energy: 1.5362366812481076
Energy: 1.4969217825671952
Energy: 1.5677605566078818
Energy: 1.479614287308378
Energy: 1.4969217825671952
Energy: 1.5677605566078818
Energy: 1.4796142873127451
Energy: 1.4969217825693393
Energy: 1.567760556605698
Energy: 1.479614287308378
Energy: 1.4969217825671952
Energy: 1.55472133768843
Energy: 1.6656560936194686
Energy: 1.6924611667049982
Energy: 1.5547416026098317
Energy: 1.6656560936216525
Energy: 1.6924611667049982
Energy: 1.55472133768843
Energy: 1.6656560936238363
Energy: 1.692461166707182
Energy: 1.5547416026120153

minimum gb energy = 1.4742121354323414 eV
minimum distance =  2.18374600850924 Angstroms
sigma value = 437


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

Energy: 1.4278868366656103
Energy: 1.4517587533422527
Energy: 1.4599598193723138
Energy: 1.4278868366656103
Energy: 1.4517587533422527
Energy: 1.4599598193723138
Energy: 1.4278868366656103
Energy: 1.4517587533422527
Energy: 1.4599598193723138
Energy: 1.4278868366656103
Energy: 1.6252506484735327
Energy: 1.3946647724366543
Energy: 1.5835444160288996
Energy: 1.6252506484735327
Energy: 1.3946647724366543
Energy: 1.5835444160288996
Energy: 1.6252506484735327
Energy: 1.3946647724358587
Energy: 1.5835444160288996
Energy: 1.6252506484735327
Energy: 1.5813248461386131
Energy: 1.383391201489483
Energy: 1.7503637762718813
Energy: 1.5813248461386131
Energy: 1.383391201489483
Energy: 1.750363776346592
Energy: 1.5813248461386131
Energy: 1.383391201489483
Energy: 1.7503637763171562
Energy: 1.5813248461386131
Energy: 1.5475245611770416
Energy: 1.7158303780624515
Energy: 1.5450010344856406
Energy: 1.547524561176246
Energy: 1.7158303780640427
Energy: 1.5450010344864362
Energy: 1.547524561176246
Energy: 1.715830378061656
Energy: 1.5450010344864362
Energy: 1.5475245611754502
Energy: 1.5538995716170665
Energy: 1.4113594451459612
Energy: 1.7462222995633485
Energy: 1.5538995716170665
Energy: 1.4113594451459612
Energy: 1.746222299564144
Energy: 1.5538995716170665
Energy: 1.4113594451467568
Energy: 1.746222299564144
Energy: 1.5538995716170665
Energy: 1.553402936610973
Energy: 1.6691683163020867
Energy: 1.395056292730936
Energy: 1.5534029366117688
Energy: 1.6691683163036777
Energy: 1.3950562927301404
Energy: 1.553402936610973
Energy: 1.6691683163020867
Energy: 1.395056292730936
Energy: 1.5534029366117688
Energy: 1.6573583783958932
Energy: 1.4269981373213074
Energy: 1.3834939183386596
Energy: 1.6573583783958932
Energy: 1.4269981373213074
Energy: 1.3834939183386596
Energy: 1.6573583783958932
Energy: 1.4269981373213074
Energy: 1.3834939183386596
Energy: 1.6573583783958932
Energy: 1.5226384258019574
Energy: 1.6720386199054829
Energy: 1.5388353061763091
Energy: 1.5226384258019574
Energy: 1.6720386199054829
Energy: 1.5388353061763091
Energy: 1.5226384258019574
Energy: 1.6720386199054829
Energy: 1.5388353061755136
Energy: 1.5226384258019574
Energy: 1.630239773186692
Energy: 1.4116903568636319
Energy: 1.4112270860451783
Energy: 1.6302397731874878
Energy: 1.4116903568628363
Energy: 1.4112270860451783
Energy: 1.6302397731874878
Energy: 1.4116903568628363
Energy: 1.4112270860451783
Energy: 1.630239773188283
Energy: 1.5426407091938656
Energy: 1.5985327881034057
Energy: 1.5751297794911148
Energy: 1.5426407091938656
Energy: 1.5985327881026101
Energy: 1.5751297771627244
Energy: 1.5426407091938656
Energy: 1.5985327881034057
Energy: 1.5751297772120492
Energy: 1.5426407091938656
Energy: 1.5111348680855965
Energy: 1.5081846204624005
Energy: 1.5212198188933177
Energy: 1.5111348680840053
Energy: 1.508184620461605
Energy: 1.5212198188933177
Energy: 1.5111348680840053
Energy: 1.5081846204624005
Energy: 1.5212198188933177
Energy: 1.5111348680840053
Energy: 1.591759053436441
Energy: 1.3947004338493947
Energy: 1.4311550345542765
Energy: 1.5917590534372366
Energy: 1.3947004338493947
Energy: 1.4311550345240451
Energy: 1.591759053436441
Energy: 1.3947004338493947
Energy: 1.4311550345343873
Energy: 1.5917590534356454
Energy: 1.4121909798681387
Energy: 1.501521458933221
Energy: 1.4114481329930697
Energy: 1.4121909798681387
Energy: 1.5015214589340167
Energy: 1.4114481329922741
Energy: 1.4121909798673433
Energy: 1.5015214589340167
Energy: 1.4114481329922741
Energy: 1.4121909798681387
Energy: 1.423623853244796
Energy: 1.4470442837654531
Energy: 1.5638858760290109
Energy: 1.423623853244796
Energy: 1.4470442837654531
Energy: 1.5638858760290109
Energy: 1.423623853244796
Energy: 1.4470442837654531
Energy: 1.5638858760290109
Energy: 1.423623853244796

minimum gb energy = 1.383391201489483 eV
minimum distance =  2.20832819271071 Angstroms
sigma value = 33