Model name: model_name=EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082033157349
cohesive_energy=3.360264254236775
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.01044423804624203
Energy: 0.41180282733256746
Energy: 0.010444238046017957
Energy: 0.41180282733256746
Energy: 0.010444238046017957
Energy: 0.41180282733281953
Energy: 0.41180282733256746
Energy: 0.41180282733256746
Energy: 0.41180282733281953
Energy: 0.41180282733281953
Energy: 0.41180282733256746
Energy: 0.41180282733256746
Energy: 0.010444238046017957
Energy: 0.41180282733256746
Energy: 0.010444238046017957
Energy: 0.41180282733256746
Energy: 0.010444238046017957
Energy: 0.41180282733256746
Energy: 0.41180282733256746
Energy: 0.41180282733256746
Energy: 0.41180282733281953
Energy: 0.41180282733281953
Energy: 0.41180282733256746
Energy: 0.41180282733256746
Energy: 0.010444238046017957
Energy: 0.41180282733256746
Energy: 0.010444238046017957
Energy: 0.41180282733256746
Energy: 0.010444238046017957
Energy: 0.41180282733256746
Energy: 0.41180282733256746
Energy: 0.41180282733256746
Energy: 0.41180282733281953
Energy: 0.41180282733281953
Energy: 0.41180282733256746
Energy: 0.41180282733256746

minimum gb energy = 0.010444238046017957 eV
minimum distance =  2.78715239267013 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.5446435362965533
Energy: 0.5525865520540261
Energy: 0.5446435362965533
Energy: 0.5525865520540261
Energy: 0.5446435362971602
Energy: 0.5525865520546329
Energy: 0.6114895451273149
Energy: 0.4878387414555232
Energy: 0.6114895451285284
Energy: 0.4878387414555232
Energy: 0.6114895451285284
Energy: 0.4878387414555232
Energy: 0.5232355507554779
Energy: 0.5596616521586519
Energy: 0.5232355507560846
Energy: 0.5596616521598656
Energy: 0.5232355507560846
Energy: 0.5596616521580451
Energy: 0.5931113041257657
Energy: 0.5022156281439549
Energy: 0.5931113041257657
Energy: 0.5022156281439549
Energy: 0.5931113041257657
Energy: 0.5022156281439549
Energy: 0.5292003650781841
Energy: 0.567265841880341
Energy: 0.5292003650781841
Energy: 0.5672658418797342
Energy: 0.5292003650781841
Energy: 0.567265841880341
Energy: 0.5460104534405987
Energy: 0.4970376350231974
Energy: 0.5460104534405987
Energy: 0.49703763502259063
Energy: 0.5460104534399921
Energy: 0.49703763502259063
Energy: 0.5284842849847501
Energy: 0.540761882580132
Energy: 0.5284842849847501
Energy: 0.5407618825807389
Energy: 0.5284842849853569
Energy: 0.5407618825807389
Energy: 0.5002251270080473
Energy: 0.5844181212446926
Energy: 0.5002251270080473
Energy: 0.5844181212446926
Energy: 0.5002251270086542
Energy: 0.5844181212446926
Energy: 0.5606188766900563
Energy: 0.5358950522266331
Energy: 0.5606188766900563
Energy: 0.5358950522266331
Energy: 0.5606188766900563
Energy: 0.5358950522266331
Energy: 0.4844134711943844
Energy: 0.5552955349081568
Energy: 0.4844134711943844
Energy: 0.5552955349087636
Energy: 0.48441347119377753
Energy: 0.555295534901482
Energy: 0.620066693231451
Energy: 0.4862886046013587
Energy: 0.6200666932320578
Energy: 0.4862886046013587
Energy: 0.620066693231451
Energy: 0.4862886046013587
Energy: 0.4855138663175222
Energy: 0.6372542914600645
Energy: 0.4855138663175222
Energy: 0.6372542914606714
Energy: 0.4855138663169155
Energy: 0.6372542914606714
Energy: 0.5837527972846159
Energy: 0.4785870912596427
Energy: 0.5837527972858295
Energy: 0.4785870912596427
Energy: 0.5837527972858295
Energy: 0.4785870912596427
Energy: 0.5056342981049713
Energy: 0.5103193502250458
Energy: 0.5056342981049713
Energy: 0.5103193502244391
Energy: 0.5056342981043646
Energy: 0.5103193502244391
Energy: 0.6208995628993861
Energy: 0.49290462843621263
Energy: 0.620899562899993
Energy: 0.4929046284374263
Energy: 0.6208995628993861
Energy: 0.49290462843621263
Energy: 0.5921589484714159
Energy: 0.5583025174594526
Energy: 0.5921589484720229
Energy: 0.5583025174594526
Energy: 0.5921589484720229
Energy: 0.5583025174588458
Energy: 0.5286835257098722
Energy: 0.5193343296829981
Energy: 0.5286835257092654
Energy: 0.5193343296829981
Energy: 0.5286835257092654
Energy: 0.5193343296829981
Energy: 0.5247030437132384
Energy: 0.5296930029545163
Energy: 0.5247030437138454
Energy: 0.529693002955123
Energy: 0.5247030437138454
Energy: 0.5296930029545163
Energy: 0.4871401807123007
Energy: 0.5043776460862085
Energy: 0.4871401807123007
Energy: 0.5043776460849949
Energy: 0.4871401807123007
Energy: 0.5043776460862085
Energy: 0.5841859003894417
Energy: 0.4971246194580791
Energy: 0.584185900388835
Energy: 0.4971246194580791
Energy: 0.584185900388835
Energy: 0.4971246194580791
Energy: 0.5026924191508055
Energy: 0.65283407378945
Energy: 0.502692419152019
Energy: 0.65283407378945
Energy: 0.5026924191514124
Energy: 0.65283407378945
Energy: 0.5442397785783821
Energy: 0.5352782632435269
Energy: 0.5442397785777754
Energy: 0.5352782632435269
Energy: 0.5442397785783821
Energy: 0.5352782632441337
Energy: 0.47574056026514927
Energy: 0.5740915810238736
Energy: 0.47574056026393574
Energy: 0.5740915810232667
Energy: 0.47574056026514927
Energy: 0.5740915810232667

minimum gb energy = 0.47574056026393574 eV
minimum distance =  2.58721152101254 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 0.51309163866241
Energy: 0.5333945146674993
Energy: 0.5130916386620649
Energy: 0.533394514666809
Energy: 0.51309163866241
Energy: 0.5333945146657735
Energy: 0.5570139681968631
Energy: 0.5160053542980578
Energy: 0.5570139681934116
Energy: 0.516005354298403
Energy: 0.5570139681941019
Energy: 0.516005354298403
Energy: 0.4980927347108541
Energy: 0.5184248919615164
Energy: 0.4980927347101638
Energy: 0.5184248919580651
Energy: 0.49809273471050886
Energy: 0.5184248919570295
Energy: 0.5215459380727707
Energy: 0.5502094296314191
Energy: 0.5215459380713903
Energy: 0.5502094296314191
Energy: 0.5215459380717354
Energy: 0.5502094296310739
Energy: 0.4998411875870658
Energy: 0.5923105904155871
Energy: 0.4998411875870658
Energy: 0.5923105904155871
Energy: 0.49984118758534
Energy: 0.5923105904152419
Energy: 0.5307126489355068
Energy: 0.49710434247765556
Energy: 0.5307126489344713
Energy: 0.4971043424780008
Energy: 0.5307126489351617
Energy: 0.49710434247834584
Energy: 0.5369875540705559
Energy: 0.513942802758048
Energy: 0.5369875540677947
Energy: 0.5139428027573577
Energy: 0.5369875540691753
Energy: 0.513942802757703
Energy: 0.4868314819793446
Energy: 0.5140699097864662
Energy: 0.48683148198003484
Energy: 0.5140699097837049
Energy: 0.4868314819793446
Energy: 0.5140699097843954
Energy: 0.5172982907332473
Energy: 0.4959755294133498
Energy: 0.5172982907318666
Energy: 0.4959755294130047
Energy: 0.5172982907332473
Energy: 0.4959755294133498
Energy: 0.46181026607434256
Energy: 0.5725143901411377
Energy: 0.4618102660736522
Energy: 0.5725143901414828
Energy: 0.46181026607399744
Energy: 0.5725143901414828
Energy: 0.5693277955099744
Energy: 0.4533618308130229
Energy: 0.5693277955096292
Energy: 0.4533618308130229
Energy: 0.5693277955096292
Energy: 0.4533618308126777
Energy: 0.48215288999872036
Energy: 0.5151243312914786
Energy: 0.48215288999768496
Energy: 0.515124331292169
Energy: 0.4821528899990655
Energy: 0.5151243312918238
Energy: 0.5146929483797418
Energy: 0.48649783036332067
Energy: 0.5146929483811222
Energy: 0.4864978303629755
Energy: 0.5146929483756
Energy: 0.48649783036332067
Energy: 0.5170159886739827
Energy: 0.5368158808713892
Energy: 0.5170159886736375
Energy: 0.5368158808693184
Energy: 0.5170159886743279
Energy: 0.5368158808686282
Energy: 0.5315607400810208
Energy: 0.5305087113332827
Energy: 0.531560740076534
Energy: 0.5305087113332827
Energy: 0.5315607400817112
Energy: 0.5305087113336279
Energy: 0.4959611536006579
Energy: 0.4998570880938145
Energy: 0.4959611536006579
Energy: 0.4998570880903631
Energy: 0.4959611536020385
Energy: 0.49985708809484997
Energy: 0.5574311723260532
Energy: 0.5207738534148427
Energy: 0.5574311723243275
Energy: 0.5207738534148427
Energy: 0.5574311723257082
Energy: 0.5207738534151878
Energy: 0.5185157327533213
Energy: 0.49671200054171843
Energy: 0.5185157327540114
Energy: 0.4967120005424087
Energy: 0.5185157327526309
Energy: 0.49671200054137327
Energy: 0.503088453097494
Energy: 0.530183325003828
Energy: 0.5030884530961133
Energy: 0.5301833250048635
Energy: 0.5030884530992197
Energy: 0.5301833250024475
Energy: 0.5349942121138022
Energy: 0.5139882541606705
Energy: 0.5349942121155279
Energy: 0.5139882541603253
Energy: 0.534994212118289
Energy: 0.5139882541606705
Energy: 0.4885340948404598
Energy: 0.514808718058769
Energy: 0.48853409484115007
Energy: 0.5148087180508306
Energy: 0.4885340948401147
Energy: 0.5148087180470341
Energy: 0.4997737942506307
Energy: 0.4957937966472338
Energy: 0.49977379424131174
Energy: 0.4957937966472338
Energy: 0.4997737942454535
Energy: 0.4957937966472338
Energy: 0.45186544996236344
Energy: 0.5782231584201134
Energy: 0.4518654499616732
Energy: 0.5782231584201134
Energy: 0.4518654499616732
Energy: 0.5782231584197682
Energy: 0.5699377228560538
Energy: 0.500844952022952
Energy: 0.5699377228577795
Energy: 0.5008449520232972
Energy: 0.5699377228563989
Energy: 0.5008449520236422
Energy: 0.4980431261421969
Energy: 0.5026503990531983
Energy: 0.4980431261425421
Energy: 0.5026503990535435
Energy: 0.4980431261415067
Energy: 0.5026503990518177
Energy: 0.514122314287471
Energy: 0.575611185695371
Energy: 0.5141223142878162
Energy: 0.5756111856950259
Energy: 0.5141223142850551
Energy: 0.5756111856950259
Energy: 0.5140958444636509
Energy: 0.5753357021469861
Energy: 0.5140958444639959
Energy: 0.5753357021469861
Energy: 0.5140958444643411
Energy: 0.5753357021469861
Energy: 0.4981002693149908
Energy: 0.5028284596265157
Energy: 0.49810026931361023
Energy: 0.5028284596285866
Energy: 0.49810026931430046
Energy: 0.5028284596272061
Energy: 0.569729525635931
Energy: 0.5009879651331676
Energy: 0.5697295256328249
Energy: 0.5009879651338579
Energy: 0.5697295256348957
Energy: 0.5009879651335128
Energy: 0.4518258135358611
Energy: 0.5789230230836929
Energy: 0.4518258135358611
Energy: 0.5789230230764448
Energy: 0.4518258135358611
Energy: 0.5789230230854185
Energy: 0.4996605110737617
Energy: 0.4958884598173401
Energy: 0.4996605110741068
Energy: 0.495888459816995
Energy: 0.4996605110775583
Energy: 0.495888459816995
Energy: 0.48855660017458674
Energy: 0.5144661129059387
Energy: 0.4885566001742416
Energy: 0.5144661129007615
Energy: 0.4885566001742416
Energy: 0.5144661129073193
Energy: 0.5348679980506178
Energy: 0.5139673290617113
Energy: 0.5348679980499276
Energy: 0.5139673290617113
Energy: 0.5348679980526887
Energy: 0.5139673290617113
Energy: 0.5034174925167467
Energy: 0.5302621766492702
Energy: 0.5034174925164017
Energy: 0.5302621766465091
Energy: 0.5034174925157112
Energy: 0.5302621766458189
Energy: 0.5183357943243772
Energy: 0.49681707783375323
Energy: 0.5183357943240321
Energy: 0.4968170778340983
Energy: 0.5183357943226514
Energy: 0.4968170778340983
Energy: 0.5235081337471309
Energy: 0.5207524133415673
Energy: 0.5235081337485115
Energy: 0.5207524133415673
Energy: 0.5235081337492017
Energy: 0.5207524133412222
Energy: 0.4961183666041236
Energy: 0.5005316018642908
Energy: 0.49611836660239783
Energy: 0.5005316018656714
Energy: 0.49611836660377845
Energy: 0.5005316018656714
Energy: 0.5311389380676805
Energy: 0.5305893154633239
Energy: 0.5311389380673355
Energy: 0.5305893154636689
Energy: 0.5311389380663
Energy: 0.5305893154636689
Energy: 0.5169739944199742
Energy: 0.5369930311720058
Energy: 0.5169739944210097
Energy: 0.5369930311740767
Energy: 0.5169739944210097
Energy: 0.536993031174767
Energy: 0.5143386022934827
Energy: 0.48640996160993427
Energy: 0.5143386022921022
Energy: 0.48640996160958916
Energy: 0.514338602296244
Energy: 0.4864099616102795
Energy: 0.4820247191456578
Energy: 0.5152406364459382
Energy: 0.48202471914531275
Energy: 0.5152406364459382
Energy: 0.482024719146003
Energy: 0.5152406364459382

minimum gb energy = 0.4518258135358611 eV
minimum distance =  2.67463314961505 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.5424626040512309
Energy: 0.5536542292960601
Energy: 0.5424626040512309
Energy: 0.5536542292960601
Energy: 0.5424626040512309
Energy: 0.5536542292960601
Energy: 0.5874808313681673
Energy: 0.49334492493484444
Energy: 0.5874808313681673
Energy: 0.49334492493404475
Energy: 0.5874808313681673
Energy: 0.49334492493404475
Energy: 0.48511469060015294
Energy: 0.5356039330275147
Energy: 0.48511469060015294
Energy: 0.5356039330187181
Energy: 0.48511469060015294
Energy: 0.5356039330123206
Energy: 0.5136350901330632
Energy: 0.4730367504098293
Energy: 0.5136350901330632
Energy: 0.4730367504098293
Energy: 0.5136350901330632
Energy: 0.4730367504098293
Energy: 0.551836055101611
Energy: 0.5244446652509629
Energy: 0.551836055101611
Energy: 0.5244446652501633
Energy: 0.5518360551024107
Energy: 0.5244446652509629
Energy: 0.5662311961327714
Energy: 0.5243831059476963
Energy: 0.5662311961327714
Energy: 0.5243831059476963
Energy: 0.5662311961319717
Energy: 0.5243831059484959
Energy: 0.5427468214656549
Energy: 0.5267208680446257
Energy: 0.5427468214664546
Energy: 0.5267208680446257
Energy: 0.5427468214664546
Energy: 0.5267208680446257
Energy: 0.48462836584080987
Energy: 0.5249318179260806
Energy: 0.48462836584080987
Energy: 0.5249318179260806
Energy: 0.48462836584080987
Energy: 0.5249318179260806
Energy: 0.6014068989254936
Energy: 0.46730353805238417
Energy: 0.6014068989254936
Energy: 0.46730353805238417
Energy: 0.6014068989254936
Energy: 0.46730353805238417
Energy: 0.49303450910435564
Energy: 0.6146722255780315
Energy: 0.49303450910435564
Energy: 0.6146722255780315
Energy: 0.49303450910435564
Energy: 0.6146722255780315
Energy: 0.6078960456561479
Energy: 0.476047048685782
Energy: 0.6078960456569475
Energy: 0.476047048685782
Energy: 0.6078960456569475
Energy: 0.476047048685782
Energy: 0.5531320892950391
Energy: 0.5549307602185457
Energy: 0.5531320892950391
Energy: 0.5549307602185457
Energy: 0.5531320892950391
Energy: 0.5549307602193454
Energy: 0.618156200590485
Energy: 0.4948015949666419
Energy: 0.618156200590485
Energy: 0.4948015949666419
Energy: 0.6181562005912847
Energy: 0.4948015949666419
Energy: 0.4860923573123401
Energy: 0.5197275129512344
Energy: 0.4860923573123401
Energy: 0.5197275129512344
Energy: 0.4860923573123401
Energy: 0.5197275129504347
Energy: 0.5210296374649679
Energy: 0.5403551759705145
Energy: 0.5210296374649679
Energy: 0.5403551759705145
Energy: 0.5210296374657676
Energy: 0.5403551759705145
Energy: 0.5711393038210553
Energy: 0.5242238246898776
Energy: 0.5711393038210553
Energy: 0.5242238246898776
Energy: 0.5711393038210553
Energy: 0.5242238246898776
Energy: 0.5331944354144464
Energy: 0.6087951772007437
Energy: 0.5331944354144464
Energy: 0.6087951772007437
Energy: 0.5331944354144464
Energy: 0.6087951772007437
Energy: 0.5036716860850918
Energy: 0.5240622695111375
Energy: 0.5036716860850918
Energy: 0.5240622695111375
Energy: 0.5036716860842921
Energy: 0.5240622695119372

minimum gb energy = 0.46730353805238417 eV
minimum distance =  2.58233994569645 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.46328583985469146
Energy: 0.4253385424283303
Energy: 0.4632858398537428
Energy: 0.4253385424283303
Energy: 0.46328583985469146
Energy: 0.4253385424288047
Energy: 0.5582025521724852
Energy: 0.5582690347734185
Energy: 0.5582025521734338
Energy: 0.5582690347743673
Energy: 0.5582025521724852
Energy: 0.5582690347743673
Energy: 0.39863027763431386
Energy: 0.5687165217756778
Energy: 0.39863027763431386
Energy: 0.5687165217752034
Energy: 0.39863027763431386
Energy: 0.568716521774729
Energy: 0.510971040735547
Energy: 0.39861625114759197
Energy: 0.51097104073697
Energy: 0.39861625114759197
Energy: 0.5109710407364956
Energy: 0.39861625114759197
Energy: 0.43021694393656856
Energy: 0.49802460047384156
Energy: 0.4302169439375173
Energy: 0.49802460047241853
Energy: 0.43021694393846605
Energy: 0.49802460047384156
Energy: 0.4301899171782228
Energy: 0.49978796594170133
Energy: 0.4301899171782228
Energy: 0.49978796594122704
Energy: 0.4301899171782228
Energy: 0.49978796594265
Energy: 0.5110346202632475
Energy: 0.3986055505265649
Energy: 0.5110346202622988
Energy: 0.3986055505265649
Energy: 0.5110346202627734
Energy: 0.3986055505265649
Energy: 0.3986328936089962
Energy: 0.5686116485457337
Energy: 0.3986328936089962
Energy: 0.5686116485447851
Energy: 0.3986328936094489
Energy: 0.5686116485457337
Energy: 0.5581606849507574
Energy: 0.5582933273889095
Energy: 0.5581606849521804
Energy: 0.5582933273903324
Energy: 0.5581606849531291
Energy: 0.5582933273903324
Energy: 0.4632858398532684
Energy: 0.4253385424288047
Energy: 0.4632858398532684
Energy: 0.4253385424288047
Energy: 0.4632858398537428
Energy: 0.4253385424288047
Energy: 0.5582025521724852
Energy: 0.5582690347724699
Energy: 0.5582025521724852
Energy: 0.5582690347738929
Energy: 0.5582025521724852
Energy: 0.5582690347738929
Energy: 0.3986302776338394
Energy: 0.5687165217756778
Energy: 0.39863027763431386
Energy: 0.5687165217742546
Energy: 0.39863027763431386
Energy: 0.568716521774729
Energy: 0.5109710407364956
Energy: 0.3986162511471176
Energy: 0.5109710407360212
Energy: 0.3986162511480663
Energy: 0.5109710407374444
Energy: 0.3986162511471176
Energy: 0.43021694393846605
Energy: 0.49802460047241853
Energy: 0.43021694393656856
Energy: 0.4980246004733672
Energy: 0.43021694393704296
Energy: 0.4980246004733672
Energy: 0.4301899171782228
Energy: 0.49978796594265
Energy: 0.43018991717774835
Energy: 0.49978796594170133
Energy: 0.4301899171782228
Energy: 0.49978796594265
Energy: 0.5110346202627734
Energy: 0.3986055505265649
Energy: 0.5110346202627734
Energy: 0.3986055505260905
Energy: 0.5110346202622988
Energy: 0.3986055505265649
Energy: 0.3986328936089962
Energy: 0.5686116485443107
Energy: 0.3986328936089962
Energy: 0.5686116485443107
Energy: 0.3986328936089962
Energy: 0.5686116485457337
Energy: 0.5581606849512317
Energy: 0.5582933273903324
Energy: 0.5581606849502829
Energy: 0.5582933273903324
Energy: 0.5581606849531291
Energy: 0.5582933273898583
Energy: 0.4632858398537428
Energy: 0.4253385424283303
Energy: 0.46328583985279403
Energy: 0.4253385424288047
Energy: 0.46328583985469146
Energy: 0.4253385424288047
Energy: 0.5582025521724852
Energy: 0.5582690347734185
Energy: 0.5582025521729596
Energy: 0.5582690347729442
Energy: 0.5582025521729596
Energy: 0.5582690347734185
Energy: 0.39863027763431386
Energy: 0.5687165217756778
Energy: 0.39863027763431386
Energy: 0.568716521774729
Energy: 0.39863027763431386
Energy: 0.5687165217756778
Energy: 0.5109710407374444
Energy: 0.39861625114759197
Energy: 0.5109710407364956
Energy: 0.3986162511471176
Energy: 0.5109710407360212
Energy: 0.3986162511471176
Energy: 0.4302169439375173
Energy: 0.4980246004728928
Energy: 0.43021694393656856
Energy: 0.4980246004728928
Energy: 0.43021694393704296
Energy: 0.4980246004733672
Energy: 0.4301899171782228
Energy: 0.49978796594265
Energy: 0.4301899171782228
Energy: 0.4997879659421757
Energy: 0.4301899171782228
Energy: 0.49978796594265
Energy: 0.5110346202632475
Energy: 0.3986055505260905
Energy: 0.5110346202627734
Energy: 0.3986055505260905
Energy: 0.5110346202632475
Energy: 0.3986055505260905
Energy: 0.3986328936089962
Energy: 0.5686116485438363
Energy: 0.3986328936089962
Energy: 0.5686116485428875
Energy: 0.39863289360852183
Energy: 0.5686116485457337
Energy: 0.5581606849526548
Energy: 0.5582933273912813
Energy: 0.5581606849521804
Energy: 0.5582933273903324
Energy: 0.5581606849521804
Energy: 0.5582933273912813
Energy: 0.4632858398537428
Energy: 0.4253385424288047
Energy: 0.4632858398542171
Energy: 0.4253385424288047
Energy: 0.4632858398551658
Energy: 0.4253385424288047
Energy: 0.5582025521720108
Energy: 0.5582690347743673
Energy: 0.5582025521724852
Energy: 0.5582690347743673
Energy: 0.5582025521729596
Energy: 0.5582690347734185
Energy: 0.39863027763431386
Energy: 0.5687165217766265
Energy: 0.39863027763431386
Energy: 0.5687165217756778
Energy: 0.39863027763431386
Energy: 0.5687165217752034

minimum gb energy = 0.3986055505260905 eV
minimum distance =  2.58686528485118 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.4731934029618614
Energy: 0.45583746780200457
Energy: 0.47319340296302337
Energy: 0.45583746780200457
Energy: 0.4731934029618614
Energy: 0.45583746780200457
Energy: 0.531917839912093
Energy: 0.4828343330414348
Energy: 0.531917839912093
Energy: 0.4828343330414348
Energy: 0.531917839912093
Energy: 0.4828343330414348
Energy: 0.4097252509302236
Energy: 0.5173105639370924
Energy: 0.40972524778396036
Energy: 0.5173105639359306
Energy: 0.4097252481648879
Energy: 0.5173105639359306
Energy: 0.45891176403766365
Energy: 0.39630805004823244
Energy: 0.45891176403998746
Energy: 0.39630805004823244
Energy: 0.45891176403882555
Energy: 0.39630805004823244
Energy: 0.4955032599640291
Energy: 0.4208811564712997
Energy: 0.495503259965191
Energy: 0.4208811564724616
Energy: 0.4955032599640291
Energy: 0.4208811564712997
Energy: 0.46699005618915346
Energy: 0.5171858782938583
Energy: 0.46699005618915346
Energy: 0.5171858782926964
Energy: 0.4669900561903154
Energy: 0.5171858782915345
Energy: 0.43134058451741675
Energy: 0.45474951544605496
Energy: 0.43134058451857865
Energy: 0.4547495154472168
Energy: 0.43134058451741675
Energy: 0.45474951544605496
Energy: 0.45770929356707474
Energy: 0.4306396037446215
Energy: 0.45770929356707474
Energy: 0.4306396037446215
Energy: 0.45770929356707474
Energy: 0.4306396037446215
Energy: 0.47849966884810585
Energy: 0.4386645549526806
Energy: 0.478499668846944
Energy: 0.4386645549515187
Energy: 0.478499668846944
Energy: 0.43866455494803286
Energy: 0.458893449462264
Energy: 0.5084368601144628
Energy: 0.458893449462264
Energy: 0.5084368601133008
Energy: 0.458893449462264
Energy: 0.5084368601133008
Energy: 0.4400233463598079
Energy: 0.3959292745149
Energy: 0.4400233463598079
Energy: 0.3959292745149
Energy: 0.440023346358646
Energy: 0.3959292745149
Energy: 0.49273704472966784
Energy: 0.47824807953670084
Energy: 0.49273704472966784
Energy: 0.4782480795425105
Energy: 0.49273704472966784
Energy: 0.4782480795204339

minimum gb energy = 0.3959292745149 eV
minimum distance =  2.58158056533594 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.4201467894411584
Energy: 0.40313988317128546
Energy: 0.420146789440179
Energy: 0.40313988317291777
Energy: 0.420146789440832
Energy: 0.4031398831725913
Energy: 0.5710941294812621
Energy: 0.36829251835705096
Energy: 0.5710941294819151
Energy: 0.3682925183573774
Energy: 0.5710941294812621
Energy: 0.3682925183573774
Energy: 0.3678452742323619
Energy: 0.5780442376174038
Energy: 0.36784527423334135
Energy: 0.5780442376170773
Energy: 0.36784527423138247
Energy: 0.5780442376174038
Energy: 0.4058796290776123
Energy: 0.38411159875363116
Energy: 0.40587962907859176
Energy: 0.3841115987533047
Energy: 0.4058796290772859
Energy: 0.3841115987533047
Energy: 0.39850203862747596
Energy: 0.38298157238845054
Energy: 0.39850203862878186
Energy: 0.38298157239008285
Energy: 0.3985020386291084
Energy: 0.38298157239008285
Energy: 0.409375397366086
Energy: 0.40052370449567165
Energy: 0.40937539736412715
Energy: 0.4005237044953452
Energy: 0.4093753973664125
Energy: 0.4005237044950187
Energy: 0.39836180038616836
Energy: 0.4414553710255079
Energy: 0.39836180040738917
Energy: 0.4414553710251815
Energy: 0.3983618003894331
Energy: 0.44145537102452853
Energy: 0.364713335634099
Energy: 0.44578097472345185
Energy: 0.36471333563442554
Energy: 0.44578097472345185
Energy: 0.36471333563442554
Energy: 0.4457809747237783
Energy: 0.5157631871782311
Energy: 0.3822859641659039
Energy: 0.5157631871769253
Energy: 0.38228596416655675
Energy: 0.5157631871769253
Energy: 0.38228596416655675
Energy: 0.4047725003368968
Energy: 0.5152002450694674
Energy: 0.4047725003372233
Energy: 0.5152002450688143
Energy: 0.4047725003372233
Energy: 0.5152002450717527
Energy: 0.40641806426990046
Energy: 0.3917404953894528
Energy: 0.4064180642692475
Energy: 0.3917404953894528
Energy: 0.406418064268921
Energy: 0.39174049538977923
Energy: 0.3614037523623376
Energy: 0.42360961299775013
Energy: 0.36140375236201117
Energy: 0.4236096129957913
Energy: 0.36140375236266414
Energy: 0.4236096129967707
Energy: 0.4165471551880238
Energy: 0.38270199178985076
Energy: 0.4165471551876974
Energy: 0.3827019917905036
Energy: 0.41654715518900326
Energy: 0.38270199179148306
Energy: 0.4208627065718613
Energy: 0.49983983192407033
Energy: 0.42086270657284075
Energy: 0.49983983192341735
Energy: 0.4208627065731672
Energy: 0.4998398319224379
Energy: 0.3856772334942983
Energy: 0.41653355103401685
Energy: 0.3856772334939718
Energy: 0.41653355103434336
Energy: 0.3856772334939718
Energy: 0.41653355103434336
Energy: 0.3743151958320319
Energy: 0.40043287428180147
Energy: 0.3743151958303995
Energy: 0.4004328742811485
Energy: 0.37431519583235834
Energy: 0.4004328742821279
Energy: 0.4711793700649409
Energy: 0.4881979056182964
Energy: 0.4711793700646143
Energy: 0.48819790561894943
Energy: 0.4711793700652673
Energy: 0.48819790561992876
Energy: 0.39327079786049224
Energy: 0.38728872413428544
Energy: 0.3932707978624511
Energy: 0.3872887241346119
Energy: 0.39327079786081875
Energy: 0.38728872413428544
Energy: 0.3674735295487602
Energy: 0.5311949649223241
Energy: 0.3674735295487602
Energy: 0.5311949649233035
Energy: 0.36747352954941315
Energy: 0.531194964922977
Energy: 0.4709987451961359
Energy: 0.376439698626402
Energy: 0.47099874519809476
Energy: 0.376439698625749
Energy: 0.4709987451971153
Energy: 0.3764396986254226
Energy: 0.36738742798827345
Energy: 0.531165730416294
Energy: 0.36738742798859997
Energy: 0.5311657304166204
Energy: 0.367387427987947
Energy: 0.5311657304166204
Energy: 0.3932409465114425
Energy: 0.38734483417943
Energy: 0.3932409465140543
Energy: 0.38734483417943
Energy: 0.3932409465114425
Energy: 0.387344834180083
Energy: 0.47117488830452287
Energy: 0.4881215262216016
Energy: 0.47117488830517573
Energy: 0.4881215262173575
Energy: 0.4711748883035434
Energy: 0.4881215262199693
Energy: 0.3742902818859399
Energy: 0.4035364892353808
Energy: 0.37429028188757224
Energy: 0.4035364892324425
Energy: 0.37429028188205193
Energy: 0.4035364892353808
Energy: 0.38576634919889075
Energy: 0.41636869865424064
Energy: 0.3857663491979113
Energy: 0.41636869865424064
Energy: 0.3857663491985643
Energy: 0.4163686986545671
Energy: 0.4206890418181535
Energy: 0.40177430387686064
Energy: 0.4206890418168476
Energy: 0.4017743038762078
Energy: 0.42068904182272415
Energy: 0.4017743038762078
Energy: 0.4168180465305345
Energy: 0.3824525486975894
Energy: 0.41681804652955506
Energy: 0.38245254869824236
Energy: 0.41681804653314625
Energy: 0.38245254870020123
Energy: 0.3613804172251223
Energy: 0.4070208343640303
Energy: 0.3613804172277342
Energy: 0.4070208343646833
Energy: 0.3613804172251223
Energy: 0.40702083436566266
Energy: 0.4064181822445674
Energy: 0.3915420916876477
Energy: 0.4064181822458733
Energy: 0.3915420916876477
Energy: 0.4064181822455468
Energy: 0.3915420916879742
Energy: 0.4047924797804222
Energy: 0.48950729732885745
Energy: 0.40479247978074867
Energy: 0.4895072973246133
Energy: 0.40479247978074867
Energy: 0.4895072973239603
Energy: 0.5156262038055437
Energy: 0.3822041951507935
Energy: 0.5156262038058702
Energy: 0.38220419515014065
Energy: 0.5156262038055437
Energy: 0.38220419515112003
Energy: 0.3646281826476423
Energy: 0.4458351273130923
Energy: 0.36462818264862173
Energy: 0.44583512731341873
Energy: 0.36462818264862173
Energy: 0.44583512731276576
Energy: 0.3989156453466539
Energy: 0.44164783434386107
Energy: 0.39891564534632745
Energy: 0.44164783434386107
Energy: 0.398915645346001
Energy: 0.4416478343435346
Energy: 0.40934470955029023
Energy: 0.38840581272003954
Energy: 0.4093447095515961
Energy: 0.3884058127180807
Energy: 0.40934470954833135
Energy: 0.3884058127190601
Energy: 0.3984456666556736
Energy: 0.38327312849263645
Energy: 0.3984456666543677
Energy: 0.383273128491657
Energy: 0.39844566665338826
Energy: 0.3832731284919835
Energy: 0.4055843388566544
Energy: 0.38398955616009484
Energy: 0.4055843388573073
Energy: 0.38398955616009484
Energy: 0.4055843388566544
Energy: 0.38398955616009484
Energy: 0.3677797655971967
Energy: 0.5781990816993384
Energy: 0.36777976560046144
Energy: 0.5781990816986854
Energy: 0.36777976559817616
Energy: 0.578199081699012
Energy: 0.5710249319937575
Energy: 0.3682139379703796
Energy: 0.5710249319940839
Energy: 0.3682139379703796
Energy: 0.5710249319957164
Energy: 0.3682139379703796
Energy: 0.42014678944050554
Energy: 0.4031398831755297
Energy: 0.42014678943985256
Energy: 0.40313988317455024
Energy: 0.420146789440179
Energy: 0.4031398831748767
Energy: 0.5710941294828945
Energy: 0.3753570274060879
Energy: 0.5710941294825681
Energy: 0.3753570274060879
Energy: 0.5710941294822416
Energy: 0.37535702740576143
Energy: 0.36784527423203545
Energy: 0.5780442376170773
Energy: 0.3678452742326884
Energy: 0.5780442376170773
Energy: 0.367845274231709
Energy: 0.5780442376177303
Energy: 0.40587962907695946
Energy: 0.3841115987552636
Energy: 0.40587962907598
Energy: 0.3841115987552636
Energy: 0.40587962907663294
Energy: 0.3841115987549371
Energy: 0.3985020386264965
Energy: 0.3829815723874711
Energy: 0.39850203862878186
Energy: 0.3829815723871446
Energy: 0.39850203862747596
Energy: 0.3829815723861652

minimum gb energy = 0.3613804172251223 eV
minimum distance =  2.64619919240985 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.2728939988890129
Energy: 0.23675828805263097
Energy: 0.27289399888826976
Energy: 0.23675828805263097
Energy: 0.27289399888826976
Energy: 0.23675828805263097
Energy: 0.26922994967803127
Energy: 0.3233145063264214
Energy: 0.2692299496772881
Energy: 0.3233145063264214
Energy: 0.2692299496772881
Energy: 0.3233145063264214
Energy: 0.2755678662829477
Energy: 0.2878877727060364
Energy: 0.2755678662829477
Energy: 0.28788777270455007
Energy: 0.27556786628220453
Energy: 0.2878877727015774
Energy: 0.18066875251093592
Energy: 0.14336262431474112
Energy: 0.18066875251019274
Energy: 0.14336262431474112
Energy: 0.18066875251093592
Energy: 0.14336262431474112
Energy: 0.2420117252862096
Energy: 0.26867397799315296
Energy: 0.2420117252862096
Energy: 0.26867397799315296
Energy: 0.2420117252854664
Energy: 0.26867397799315296
Energy: 0.14362695363420963
Energy: 0.27525276849001606
Energy: 0.14362695363420963
Energy: 0.2752527684907592
Energy: 0.14362695363420963
Energy: 0.27525276849001606
Energy: 0.14336432262013754
Energy: 0.287573678314635
Energy: 0.1433643226208807
Energy: 0.28757367831314856
Energy: 0.1433643226208807
Energy: 0.2875736783138918
Energy: 0.27043107701846586
Energy: 0.24161473651689322
Energy: 0.2704310770177227
Energy: 0.24161473651615
Energy: 0.270431077019209
Energy: 0.24161473651615
Energy: 0.1800254105686389
Energy: 0.14336339877323673
Energy: 0.1800254105693821
Energy: 0.14336339877323673
Energy: 0.1800254105693821
Energy: 0.14336339877323673
Energy: 0.28587354860609565
Energy: 0.34196734886612706
Energy: 0.28587354860460934
Energy: 0.3419673488668703
Energy: 0.2858735486053525
Energy: 0.34196734886612706
Energy: 0.2423454724281411
Energy: 0.3142160758011715
Energy: 0.24234547242739793
Energy: 0.31421607580340094
Energy: 0.2423454724281411
Energy: 0.3142160758011715
Energy: 0.27289399888975613
Energy: 0.2367582880518878
Energy: 0.27289399888975613
Energy: 0.2367582880518878
Energy: 0.2728939988890129
Energy: 0.2367582880518878
Energy: 0.26922994967803127
Energy: 0.323314506324935
Energy: 0.26922994967803127
Energy: 0.323314506324935
Energy: 0.26922994967877445
Energy: 0.32331450632419184
Energy: 0.27556786628220453
Energy: 0.28788777270306376
Energy: 0.27556786628146135
Energy: 0.2878877727038069
Energy: 0.27556786628146135
Energy: 0.28788777270306376
Energy: 0.18066875251093592
Energy: 0.143362624318457
Energy: 0.18066875251019274
Energy: 0.143362624318457
Energy: 0.18066875251019274
Energy: 0.143362624318457
Energy: 0.24201172528398007
Energy: 0.26867397799166665
Energy: 0.24201172528398007
Energy: 0.26867397799166665
Energy: 0.24201172528398007
Energy: 0.26867397799166665
Energy: 0.1436269536327233
Energy: 0.27525276849001606
Energy: 0.14362695363346648
Energy: 0.27525276849001606
Energy: 0.14362695363346648
Energy: 0.27525276849001606
Energy: 0.1433643226238534
Energy: 0.2875736783161213
Energy: 0.1433643226238534
Energy: 0.2875736783161213
Energy: 0.1433643226238534
Energy: 0.2875736783153781
Energy: 0.2704310770177227
Energy: 0.24161473651615
Energy: 0.2704310770177227
Energy: 0.24161473651615
Energy: 0.27043107701846586
Energy: 0.24161473651615

minimum gb energy = 0.14336262431474112 eV
minimum distance =  2.76436312355606 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.3708990053921432
Energy: 0.3825290170243989
Energy: 0.37089900538996573
Energy: 0.3825290170243989
Energy: 0.3708990053915989
Energy: 0.3825290170243989
Energy: 0.4293986097059839
Energy: 0.35517203563668304
Energy: 0.4293986097048952
Energy: 0.35517203563668304
Energy: 0.4293986097059839
Energy: 0.35517203563668304
Energy: 0.40570504066760216
Energy: 0.541699238327085
Energy: 0.4057050406670578
Energy: 0.541699238327085
Energy: 0.4057050406665134
Energy: 0.541699238327085
Energy: 0.41966571633250327
Energy: 0.3374450846006035
Energy: 0.4196657163330477
Energy: 0.3374450846006035
Energy: 0.4196657163319589
Energy: 0.3374450846006035
Energy: 0.36905306104791746
Energy: 0.3152622574194742
Energy: 0.36905306104955066
Energy: 0.3152622574189298
Energy: 0.36905306104791746
Energy: 0.3152622574189298
Energy: 0.38965425495997974
Energy: 0.3974617541423507
Energy: 0.3896542549616128
Energy: 0.39746175414289514
Energy: 0.3896542549616128
Energy: 0.3974617541423507
Energy: 0.32434049347850863
Energy: 0.4638092290595957
Energy: 0.32434049347850863
Energy: 0.4638092290595957
Energy: 0.3243404934774199
Energy: 0.46380922906014016
Energy: 0.38941407106558956
Energy: 0.297460791876639
Energy: 0.3894140710650451
Energy: 0.297460791876639
Energy: 0.38941407106558956
Energy: 0.297460791876639
Energy: 0.3881786228144791
Energy: 0.29519701759346867
Energy: 0.3881786228144791
Energy: 0.2951970175929243
Energy: 0.3881786228139348
Energy: 0.29519701759346867
Energy: 0.31301005989972325
Energy: 0.4679330127320433
Energy: 0.31301005990135644
Energy: 0.46793301273149895
Energy: 0.31301005989972325
Energy: 0.46793301273149895
Energy: 0.5017225207180573
Energy: 0.46104945189510654
Energy: 0.5017225207169687
Energy: 0.46104945189565094
Energy: 0.5017225207180573
Energy: 0.46104945189565094
Energy: 0.3563497441935529
Energy: 0.3122691938359293
Energy: 0.35634974419573057
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Energy: 0.3563497441940974
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Energy: 0.3980459936297096
Energy: 0.3389803585002591
Energy: 0.398045993630254
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Energy: 0.39804599363079834
Energy: 0.3389803585002591
Energy: 0.4133761988871668
Energy: 0.5237334686126826
Energy: 0.41337619888825555
Energy: 0.5237334686115938
Energy: 0.4133761988893443
Energy: 0.5237334686115938
Energy: 0.4911847854110053
Energy: 0.3567736861937128
Energy: 0.49118478541154975
Energy: 0.35677368619262395
Energy: 0.4911847854110053
Energy: 0.35677368619316835
Energy: 0.37132682436069603
Energy: 0.38328309077038525
Energy: 0.37132682436069603
Energy: 0.38328309077092965
Energy: 0.3713268243601517
Energy: 0.38328309077092965
Energy: 0.3431935990051928
Energy: 0.3533262948763873
Energy: 0.34319359900464846
Energy: 0.3533262948769317
Energy: 0.3431935990051928
Energy: 0.3533262948769317
Energy: 0.4646907268823929
Energy: 0.5337740402754683
Energy: 0.4646907268829373
Energy: 0.5337740402771014
Energy: 0.4646907268829373
Energy: 0.5337740402765571
Energy: 0.419886064936195
Energy: 0.3368339646315431
Energy: 0.4198860649367394
Energy: 0.3368339646293656
Energy: 0.4198860649367394
Energy: 0.33683396462990994
Energy: 0.3615894845269888
Energy: 0.3573159023055695
Energy: 0.3615894845269888
Energy: 0.3573159023055695
Energy: 0.36158948452644435
Energy: 0.35731590230611393
Energy: 0.30963347688190634
Energy: 0.3991591353675699
Energy: 0.30963347688136195
Energy: 0.3991591353675699
Energy: 0.30963347688190634
Energy: 0.3991591353675699
Energy: 0.3972671424887277
Energy: 0.4267663366998554
Energy: 0.39726714228794746
Energy: 0.42676633669713343
Energy: 0.39726714344749386
Energy: 0.42676633670638797
Energy: 0.41988519113074046
Energy: 0.36443481067303507
Energy: 0.41988519113074046
Energy: 0.36443481067303507
Energy: 0.4198851911301961
Energy: 0.36443481067303507
Energy: 0.38835279705342063
Energy: 0.3393953257661237
Energy: 0.3883527970545094
Energy: 0.3393953257661237
Energy: 0.3883527970539651
Energy: 0.3393953257661237
Energy: 0.31063828017978745
Energy: 0.4663488802413729
Energy: 0.31063828017869866
Energy: 0.4663488802424616
Energy: 0.3106382801803318
Energy: 0.4663488802424616
Energy: 0.5571784972471493
Energy: 0.4625284551658209
Energy: 0.5571784972476937
Energy: 0.4625284551658209
Energy: 0.557178497246605
Energy: 0.4625284551658209

minimum gb energy = 0.2951970175929243 eV
minimum distance =  2.64464918224234 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.4203862777299105
Energy: 0.3478077066749207
Energy: 0.4203862777294814
Energy: 0.3478077066749207
Energy: 0.4203862777299105
Energy: 0.3478077066749207
Energy: 0.43815998199443984
Energy: 0.412330596571128
Energy: 0.43815998199529793
Energy: 0.412330596571128
Energy: 0.4381599819961561
Energy: 0.41233059657155713
Energy: 0.4983565800264033
Energy: 0.6022165721606315
Energy: 0.4983565800264033
Energy: 0.6022165721606315
Energy: 0.49835658002683236
Energy: 0.6022165721606315
Energy: 0.3869642740785165
Energy: 0.33658832218362955
Energy: 0.3869642740789456
Energy: 0.33658832218362955
Energy: 0.38696427407937467
Energy: 0.33658832218362955
Energy: 0.30755113580917226
Energy: 0.37649767595226946
Energy: 0.3075511358083141
Energy: 0.37649767595226946
Energy: 0.3075511358087432
Energy: 0.37649767595226946
Energy: 0.43422406722074247
Energy: 0.4939667916040218
Energy: 0.43422406722031337
Energy: 0.49396679160445084
Energy: 0.43422406722074247
Energy: 0.4939667916035927
Energy: 0.3517139006935647
Energy: 0.510923720354141
Energy: 0.3517139006935647
Energy: 0.5109237203537119
Energy: 0.3517139006944229
Energy: 0.510923720354141
Energy: 0.3441855581373081
Energy: 0.3367957854481084
Energy: 0.3441855581373081
Energy: 0.3367957854481084
Energy: 0.34418555813687907
Energy: 0.3367957854485375
Energy: 0.3177652690870679
Energy: 0.3715140625284269
Energy: 0.3177652690857807
Energy: 0.3715140625284269
Energy: 0.3177652690870679
Energy: 0.3715140625284269
Energy: 0.39175010502372404
Energy: 0.5183646718607852
Energy: 0.39175010502415314
Energy: 0.5183646718607852
Energy: 0.39175010502329505
Energy: 0.5183646718607852
Energy: 0.3967671318257084
Energy: 0.5185120482773681
Energy: 0.39676713182613743
Energy: 0.5185120482773681
Energy: 0.39676713182613743
Energy: 0.5185120482773681
Energy: 0.3160313638443581
Energy: 0.40823884613812716
Energy: 0.3160313638447872
Energy: 0.40823884613812716
Energy: 0.3160313638447872
Energy: 0.4082388461385562
Energy: 0.3382453831571497
Energy: 0.34196634157878575
Energy: 0.33824538315757874
Energy: 0.34196634157878575
Energy: 0.33824538315757874
Energy: 0.34196634157878575
Energy: 0.31657507281619734
Energy: 0.48315534535813875
Energy: 0.31657507281576824
Energy: 0.4831553453589969
Energy: 0.31657507281619734
Energy: 0.48315534535813875
Energy: 0.517896327206489
Energy: 0.4931853548364519
Energy: 0.517896327206489
Energy: 0.4931853548355937
Energy: 0.517896327206489
Energy: 0.4931853548347355
Energy: 0.3144619758145282
Energy: 0.39894193817601986
Energy: 0.3144619758149573
Energy: 0.39894193817559076
Energy: 0.3144619758153864
Energy: 0.3989419381751617
Energy: 0.3437559194285856
Energy: 0.34199129138521883
Energy: 0.3437559194285856
Energy: 0.3419912913847898
Energy: 0.3437559194290147
Energy: 0.3419912913847898
Energy: 0.41819978584412
Energy: 0.6036106459084404
Energy: 0.41819978584369094
Energy: 0.6036106459084404
Energy: 0.4181997858432619
Energy: 0.6036106459092986
Energy: 0.4683358645440163
Energy: 0.4128043680209168
Energy: 0.4683358645440163
Energy: 0.4128043680209168
Energy: 0.46833586454444537
Energy: 0.4128043680209168
Energy: 0.4196212176487589
Energy: 0.4517298954651357
Energy: 0.4196212176487589
Energy: 0.4517298954651357
Energy: 0.4196212176487589
Energy: 0.4517298954651357
Energy: 0.3176420153667209
Energy: 0.4127020264911634
Energy: 0.3176420153662918
Energy: 0.4127020264911634
Energy: 0.3176420153667209
Energy: 0.4127020264911634
Energy: 0.4976379681682379
Energy: 0.5537529065683227
Energy: 0.49763796816652167
Energy: 0.5537529065691807
Energy: 0.4976379681669507
Energy: 0.5537529065678934
Energy: 0.38775724073187584
Energy: 0.33828231689871463
Energy: 0.38775724073101764
Energy: 0.33828231689871463
Energy: 0.38775724073230494
Energy: 0.33828231689828553
Energy: 0.3143590051159158
Energy: 0.46213416774241706
Energy: 0.31435900511548676
Energy: 0.46213416774241706
Energy: 0.3143590051159158
Energy: 0.46213416774241706
Energy: 0.3166358997704515
Energy: 0.4647954078209129
Energy: 0.31663589977088064
Energy: 0.4647954078209129
Energy: 0.31663589977088064
Energy: 0.4647954078209129
Energy: 0.35179485413053757
Energy: 0.35071411091273486
Energy: 0.351794854132683
Energy: 0.35071411091316396
Energy: 0.3517948541318249
Energy: 0.35071411091745464
Energy: 0.3454153085739563
Energy: 0.33826924664852726
Energy: 0.3454153085735272
Energy: 0.3382692466476691
Energy: 0.3454153085735272
Energy: 0.33826924664852726
Energy: 0.3549356783498725
Energy: 0.44455296666407823
Energy: 0.3549356783490144
Energy: 0.44455296666450733
Energy: 0.3549356783494435
Energy: 0.44455296666450733
Energy: 0.39123559649620615
Energy: 0.42142633510930944
Energy: 0.39123559649620615
Energy: 0.42142633510930944
Energy: 0.39123559649620615
Energy: 0.42142633510930944
Energy: 0.5216744568860391
Energy: 0.31595432124121137
Energy: 0.5216744568860391
Energy: 0.3159543212377788
Energy: 0.5216744568856101
Energy: 0.31595432124035316
Energy: 0.3174957935559688
Energy: 0.38905133599105973
Energy: 0.31749579355553975
Energy: 0.3890513359919179
Energy: 0.3174957935559688
Energy: 0.3890513359919179
Energy: 0.339841221714267
Energy: 0.34062968818539835
Energy: 0.33984122171469605
Energy: 0.34062968818539835
Energy: 0.33984122171512515
Energy: 0.34062968818539835
Energy: 0.3166945477136362
Energy: 0.4053371229239639
Energy: 0.3166945477136362
Energy: 0.40533712292267676
Energy: 0.3166945477140653
Energy: 0.40533712292267676

minimum gb energy = 0.3075511358083141 eV
minimum distance =  2.66596956946746 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.3739809845078108
Energy: 0.3370527404183812
Energy: 0.3739809845087142
Energy: 0.3370527404183812
Energy: 0.373980984508112
Energy: 0.33705274041777894
Energy: 0.415132899922799
Energy: 0.3338713288507753
Energy: 0.4151328999237024
Energy: 0.33387132885107645
Energy: 0.41513289992611135
Energy: 0.33387132885107645
Energy: 0.5574775539165209
Energy: 0.5867847608073439
Energy: 0.5574775539159185
Energy: 0.5867847608076451
Energy: 0.5574775539156175
Energy: 0.5867847608064406
Energy: 0.38277434505729224
Energy: 0.34103306693976154
Energy: 0.38277434505759333
Energy: 0.3410330669400627
Energy: 0.38277434505759333
Energy: 0.34103306693976154
Energy: 0.3449233794836029
Energy: 0.5506413690798695
Energy: 0.34492337948300067
Energy: 0.5506413690804717
Energy: 0.3449233794842052
Energy: 0.5506413690804717
Energy: 0.4906836786014788
Energy: 0.3525584040650255
Energy: 0.4906836785999732
Energy: 0.3525584040650255
Energy: 0.49068367860057543
Energy: 0.35255840406472433
Energy: 0.3745613105355298
Energy: 0.43375261646679847
Energy: 0.3745613105388422
Energy: 0.43375261646679847
Energy: 0.3745613105364332
Energy: 0.4337526164664973
Energy: 0.39144902872227333
Energy: 0.41904582693398024
Energy: 0.39144902872347787
Energy: 0.4190458269336791
Energy: 0.39144902872227333
Energy: 0.41904582693398024
Energy: 0.5494090395865365
Energy: 0.39371876122433536
Energy: 0.5494090395856333
Energy: 0.39371876122433536
Energy: 0.5494090395856333
Energy: 0.39371876122433536
Energy: 0.5195569081445144
Energy: 0.35752451730685375
Energy: 0.5195569081445144
Energy: 0.3575245173071549
Energy: 0.5195569081442133
Energy: 0.3575245173071549
Energy: 0.3918625399316517
Energy: 0.3912602053190971
Energy: 0.39186253992623143
Energy: 0.39126020531879596
Energy: 0.3918625399277371
Energy: 0.3912602053203016
Energy: 0.5632451095662042
Energy: 0.3409351599867939
Energy: 0.5632451095671076
Energy: 0.3409351599867939
Energy: 0.5632451095662042
Energy: 0.3409351599861917
Energy: 0.3547757234463169
Energy: 0.5500462791076798
Energy: 0.3547757234457147
Energy: 0.5500462791073787
Energy: 0.3547757234460158
Energy: 0.5500462791073787
Energy: 0.41628740784774293
Energy: 0.3903774762415087
Energy: 0.41628740784774293
Energy: 0.3903774762409064
Energy: 0.41628740784774293
Energy: 0.3903774762430143
Energy: 0.4134886965280313
Energy: 0.37610530593485586
Energy: 0.4134886965289346
Energy: 0.37610530593515695
Energy: 0.4134886965292358
Energy: 0.37610530593575925
Energy: 0.35165751484986774
Energy: 0.490009142668245
Energy: 0.35165751484986774
Energy: 0.49000914266794393
Energy: 0.35165751484956664
Energy: 0.4900091426676428
Energy: 0.5544773672550048
Energy: 0.34077110061006943
Energy: 0.5544773672553062
Energy: 0.34077110061006943
Energy: 0.5544773672571128
Energy: 0.34077110061006943
Energy: 0.3426471805122661
Energy: 0.383710943906201
Energy: 0.3426471805122661
Energy: 0.3837109439068032
Energy: 0.3426471805122661
Energy: 0.38371094390710436
Energy: 0.5786490161462937
Energy: 0.5563367515699451
Energy: 0.5786490161496061
Energy: 0.5563367515699451
Energy: 0.5786490161574354
Energy: 0.5563367515702463
Energy: 0.46377408752840543
Energy: 0.39423222947956893
Energy: 0.4637740875287065
Energy: 0.39423222947956893
Energy: 0.4637740875287065
Energy: 0.3942322294798701
Energy: 0.34308505984437726
Energy: 0.37440339528987415
Energy: 0.3430850598458829
Energy: 0.37440339528987415
Energy: 0.3430850598449795
Energy: 0.37440339529017524
Energy: 0.34099519831834696
Energy: 0.4153986291030618
Energy: 0.34099519831834696
Energy: 0.4153986291030618
Energy: 0.3409951983186481
Energy: 0.4153986291030618
Energy: 0.5480808373524578
Energy: 0.4652701164176437
Energy: 0.5480808373533612
Energy: 0.4652701164176437
Energy: 0.5480808373533612
Energy: 0.4652701164176437
Energy: 0.34033153764486723
Energy: 0.4824219157363684
Energy: 0.34033153764366275
Energy: 0.48242191573757287
Energy: 0.34033153764396384
Energy: 0.48242191573757287
Energy: 0.34435975358951126
Energy: 0.34069974665490516
Energy: 0.3443597535901135
Energy: 0.340699746654604
Energy: 0.34435975359041465
Energy: 0.340699746654604
Energy: 0.35422416405977725
Energy: 0.5503639556331458
Energy: 0.35422416405947615
Energy: 0.5503639556337481
Energy: 0.35422416405857277
Energy: 0.5503639556337481
Energy: 0.4250151795175935
Energy: 0.3737768889330773
Energy: 0.42501517951940027
Energy: 0.37377688893277616
Energy: 0.42501517951909906
Energy: 0.37377688893277616
Energy: 0.37618873595218616
Energy: 0.34271696042438765
Energy: 0.37618873595158386
Energy: 0.34271696042438765
Energy: 0.37618873595188496
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Energy: 0.3931293626597833
Energy: 0.5501244227993529
Energy: 0.3931293626594822
Energy: 0.5501244227993529
Energy: 0.3931293626597833
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Energy: 0.3603148980789628
Energy: 0.5807099804451232
Energy: 0.3603148980798661
Energy: 0.5807099804451232
Energy: 0.36031489807956496
Energy: 0.5807099804451232
Energy: 0.38408858432430515
Energy: 0.3448090816147496
Energy: 0.3840885843246062
Energy: 0.34480908161444845
Energy: 0.3840885843246062
Energy: 0.34480908161444845
Energy: 0.34031777369262134
Energy: 0.558740491137717
Energy: 0.34031777369262134
Energy: 0.558740491137717
Energy: 0.34031777369171795
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Energy: 0.46416474710388084
Energy: 0.3518622570997223
Energy: 0.46416474710297745
Energy: 0.35186225710032454
Energy: 0.46416474710568756
Energy: 0.35186225709912
Energy: 0.39009356531931955
Energy: 0.4140642541182553
Energy: 0.3900935653232342
Energy: 0.4140642541185564
Energy: 0.3900935653199218
Energy: 0.4140642541215677
Energy: 0.3900909763661949
Energy: 0.41396454408402694
Energy: 0.39009097637703544
Energy: 0.41396454408432803
Energy: 0.3900909763670983
Energy: 0.41396454408493033
Energy: 0.4647720137081965
Energy: 0.35187420168045536
Energy: 0.4647720137075943
Energy: 0.35187420168045536
Energy: 0.464772013706992
Energy: 0.3518742016810576
Energy: 0.34035061567494035
Energy: 0.5590557228937464
Energy: 0.34035061567463926
Energy: 0.5590557228937464
Energy: 0.34035061567494035
Energy: 0.5590557228940476
Energy: 0.38412549694787357
Energy: 0.34472917383536983
Energy: 0.3841254969469702
Energy: 0.344729173835671
Energy: 0.3841254969475725
Energy: 0.34472917383506874
Energy: 0.3604286731885322
Energy: 0.5804533033291864
Energy: 0.3604286731894356
Energy: 0.5804533033303909
Energy: 0.36042867318973676
Energy: 0.580453303330692
Energy: 0.3930941284684791
Energy: 0.5501212370293096
Energy: 0.39309412846938246
Energy: 0.5501212370302129
Energy: 0.39309412846878017
Energy: 0.5501212370293096
Energy: 0.3763931875360338
Energy: 0.3427000281175209
Energy: 0.37639318753543144
Energy: 0.3427000281175209
Energy: 0.3763931875372382
Energy: 0.3427000281175209
Energy: 0.42499448054776584
Energy: 0.37382141896892546
Energy: 0.4249944805489704
Energy: 0.3738214189680222
Energy: 0.424994480548067
Energy: 0.3738214189692266
Energy: 0.35428877697661637
Energy: 0.5502173604468769
Energy: 0.35428877697661637
Energy: 0.5502173604468769
Energy: 0.3542887769763152
Energy: 0.5502173604468769
Energy: 0.34459630206252434
Energy: 0.34077324213382926
Energy: 0.34459630205529734
Energy: 0.34077324213382926
Energy: 0.3445963020637289
Energy: 0.3407732421341304
Energy: 0.3402750938402779
Energy: 0.482207506753707
Energy: 0.34027509384088017
Energy: 0.48220750675190016
Energy: 0.34027509384088017
Energy: 0.4822075067540081
Energy: 0.5479110199236046
Energy: 0.46528837981901766
Energy: 0.5479110199233035
Energy: 0.46528837981901766
Energy: 0.5479110199233035
Energy: 0.46528837981901766
Energy: 0.34109211137894163
Energy: 0.4152961377347735
Energy: 0.34109211137894163
Energy: 0.4152961377341712
Energy: 0.34109211137833934
Energy: 0.4152961377347735

minimum gb energy = 0.3338713288507753 eV
minimum distance =  2.66039417825964 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.36352819715934015
Energy: 0.34785742615499976
Energy: 0.36352819715934015
Energy: 0.34785742615518267
Energy: 0.36352819715934015
Energy: 0.34785742615499976
Energy: 0.3472204341492554
Energy: 0.34164384097489464
Energy: 0.3472204341492554
Energy: 0.34164384097489464
Energy: 0.3472204341490496
Energy: 0.34164384097468886
Energy: 0.4872440015986901
Energy: 0.48900147098123875
Energy: 0.4872440015986901
Energy: 0.48900147098123875
Energy: 0.48724400159907894
Energy: 0.4890014709814446
Energy: 0.347096246441425
Energy: 0.34163500092540344
Energy: 0.3470962464418367
Energy: 0.34163500092560933
Energy: 0.347096246441425
Energy: 0.34163500092540344
Energy: 0.36352819715954604
Energy: 0.34785742615399345
Energy: 0.36352819715954604
Energy: 0.3478574261537876
Energy: 0.36352819715954604
Energy: 0.3478574261537876
Energy: 0.3472204341472429
Energy: 0.34164384097489464
Energy: 0.3472204341472429
Energy: 0.34164384097507755
Energy: 0.3472204341474487
Energy: 0.34164384097489464
Energy: 0.48724400159887304
Energy: 0.48900147098123875
Energy: 0.48724400159907894
Energy: 0.48900147098165037
Energy: 0.5402877187549104
Energy: 0.4890014709814446

minimum gb energy = 0.34163500092540344 eV
minimum distance =  2.65863407884524 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.5923680807251254
Energy: 0.4169344241863745
Energy: 0.5923680807243286
Energy: 0.4169344241866234
Energy: 0.5923680807254241
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Energy: 0.4193694873437414
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Energy: 0.4298423007981507
Energy: 0.5210613818519787
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Energy: 0.4814602170839741
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Energy: 0.41075659780560136
Energy: 0.48146021708452175
Energy: 0.41075659780480467
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Energy: 0.46209597149875103
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Energy: 0.4620959714974066
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Energy: 0.4620959714960123
Energy: 0.4240719354321135
Energy: 0.45271690026064787
Energy: 0.4240719354304703
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Energy: 0.4073222410525041
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Energy: 0.4396760196010107
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Energy: 0.439676019600214
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Energy: 0.44386342470789775
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Energy: 0.42235351206292593
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Energy: 0.4566185926947251
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Energy: 0.43697441824978933
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Energy: 0.4504981737365552
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Energy: 0.4415457266584963
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Energy: 0.448903545627689
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Energy: 0.44890354562684254
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Energy: 0.5180927845194595
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Energy: 0.4121235068415616
Energy: 0.5180927845200074
Energy: 0.47230866578665315
Energy: 0.5237988383197071
Energy: 0.4723086657806281
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Energy: 0.4723086658003466
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Energy: 0.4177928803447775
Energy: 0.4594955407886767
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Energy: 0.47446993836247275
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Energy: 0.5385249890823455
Energy: 0.441178163778765
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Energy: 0.39884571546966474
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Energy: 0.3988457154699636
Energy: 0.50869371936496
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Energy: 0.5086937193660555
Energy: 0.492405105082933
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Energy: 0.4225996000312856
Energy: 0.4712016928936552
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Energy: 0.42259959997048674
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Energy: 0.47550915777130953
Energy: 0.46140703385235604
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Energy: 0.461407033852107
Energy: 0.47550915767027674
Energy: 0.461407033852107
Energy: 0.43999820807507795
Energy: 0.4567509903003702
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Energy: 0.45235872977892716
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Energy: 0.4674333174561511
Energy: 0.4233850289340373
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Energy: 0.494969045017238
Energy: 0.43934349261899236
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Energy: 0.48894758466786625
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Energy: 0.48894758466926047
Energy: 0.45226647309777496
Energy: 0.48894758466871274
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Energy: 0.46699579886750864
Energy: 0.4474891289173075
Energy: 0.4669957988691519
Energy: 0.4474891289178553
Energy: 0.4669957988672597
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Energy: 0.4421125169731143
Energy: 0.4628303923429473
Energy: 0.4436886222621652
Energy: 0.45382937615920205
Energy: 0.4436886222624142
Energy: 0.45382937615920205
Energy: 0.44368862226131867
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Energy: 0.5324211370606614
Energy: 0.4104732270419076
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Energy: 0.5324211370688775
Energy: 0.4104732270437998
Energy: 0.4128467771640095
Energy: 0.48580573776662933
Energy: 0.4128467771645573
Energy: 0.48580573776443825
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Energy: 0.48580573776443825
Energy: 0.45245168865069724
Energy: 0.4628448556355386
Energy: 0.45245168865234037
Energy: 0.46284485563006117
Energy: 0.4524516886496017
Energy: 0.46284485563359656
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Energy: 0.4514503726925662
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Energy: 0.4514503726928151
Energy: 0.47946972404390015
Energy: 0.4514503726950062
Energy: 0.5383436745612621
Energy: 0.3966261048852445
Energy: 0.5383436745612621
Energy: 0.3966261048849956
Energy: 0.5383436745637519
Energy: 0.3966261048844478
Energy: 0.41157506541402294
Energy: 0.5550367763537135
Energy: 0.41157506541402294
Energy: 0.5550367763540124
Energy: 0.4115750654126786
Energy: 0.555036776353166
Energy: 0.481085966481985
Energy: 0.4161575165987149
Energy: 0.48108596648253266
Energy: 0.4161575165987149
Energy: 0.48108596648143714
Energy: 0.4161575165992627
Energy: 0.5269281836838329
Energy: 0.4353416228408967
Energy: 0.5269281836838329
Energy: 0.4353416228408967
Energy: 0.5269281836835341
Energy: 0.43534162284114564
Energy: 0.5041577394905082
Energy: 0.413571814309023
Energy: 0.5041577394916038
Energy: 0.41357181430981976
Energy: 0.5041577394937947
Energy: 0.4135718143087242
Energy: 0.433942354291806
Energy: 0.45598146731516603
Energy: 0.43394235429290146
Energy: 0.45598146731352285
Energy: 0.4339423542923537
Energy: 0.4559814673146183
Energy: 0.42965499443150107
Energy: 0.4138187539908882
Energy: 0.42965499443175004
Energy: 0.4138187539911371
Energy: 0.42965499443120236
Energy: 0.4138187539916849
Energy: 0.4795399931502704
Energy: 0.4654710350821345
Energy: 0.47953999314947376
Energy: 0.4654710350826822
Energy: 0.4795399931489259
Energy: 0.4654710350821345
Energy: 0.4704420006363059
Energy: 0.45273149399437573
Energy: 0.4704420005490164
Energy: 0.4527314939826243
Energy: 0.47044200056928276
Energy: 0.45273149398451645
Energy: 0.4479594123015456
Energy: 0.47845821276402345
Energy: 0.44795941230099795
Energy: 0.4784582127626292
Energy: 0.44795941230264114
Energy: 0.4784582127634756

minimum gb energy = 0.3966261048844478 eV
minimum distance =  2.57925210670952 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.5413239118965912
Energy: 0.42509216650695775
Energy: 0.5413239118962153
Energy: 0.42509216650695775
Energy: 0.5413239118962153
Energy: 0.42509216650729936
Energy: 0.4080871882519746
Energy: 0.42189541320952745
Energy: 0.4080871882519746
Energy: 0.42189541320952745
Energy: 0.40808718825235046
Energy: 0.42189541320802393
Energy: 0.4865004603347451
Energy: 0.4818767940800591
Energy: 0.4865004603347451
Energy: 0.48187679407930745
Energy: 0.4865004603347451
Energy: 0.48187679408043504
Energy: 0.4031196215764889
Energy: 0.43001179104240905
Energy: 0.4031196215764889
Energy: 0.4300117910420332
Energy: 0.4031196215768648
Energy: 0.43001179104240905
Energy: 0.42072771875740234
Energy: 0.40523670448785803
Energy: 0.42072771875702636
Energy: 0.40523670448710625
Energy: 0.42072771875702636
Energy: 0.40523670448372334
Energy: 0.3914011356625636
Energy: 0.38052302797993703
Energy: 0.3914011356625636
Energy: 0.3805230279795612
Energy: 0.391401135664443
Energy: 0.3805230279795612
Energy: 0.41010228900887846
Energy: 0.3821784487940918
Energy: 0.4101022890077508
Energy: 0.3821784487937159
Energy: 0.4101022890085026
Energy: 0.3821784487940918
Energy: 0.42458960965155035
Energy: 0.4060618790751287
Energy: 0.4245896096511745
Energy: 0.40606187907475283
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Energy: 0.4060618790736251
Energy: 0.467602876670459
Energy: 0.4437185768605217
Energy: 0.46760287666933137
Energy: 0.4437185768605217
Energy: 0.467602876670835
Energy: 0.4437185768608976
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Energy: 0.5698857238199474
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Energy: 0.4537399265124701
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Energy: 0.421324729802144
Energy: 0.4126179941597439
Energy: 0.42132472980327174
Energy: 0.41261799415936795
Energy: 0.42132472980327174
Energy: 0.41261799415936795
Energy: 0.37997304935903564
Energy: 0.3977693312309095
Energy: 0.3799730493594115
Energy: 0.3977693312312854
Energy: 0.37997304935903564
Energy: 0.3977693312312854
Energy: 0.4057657015026675
Energy: 0.42192808888301775
Energy: 0.4057657015030433
Energy: 0.4219280888822659
Energy: 0.40576570150229163
Energy: 0.4219280888826418
Energy: 0.44421454330236765
Energy: 0.4797104096091215
Energy: 0.4442145433008641
Energy: 0.4797104096094974
Energy: 0.4442145433019918
Energy: 0.4797104096091215
Energy: 0.47363309776320595
Energy: 0.39246604487402453
Energy: 0.4736330977617024
Energy: 0.3924660448736486
Energy: 0.473633097759823
Energy: 0.3924660448736486
Energy: 0.42460376254578824
Energy: 0.409447391391031
Energy: 0.4246037625446606
Energy: 0.4094473913902792
Energy: 0.42460376254503657
Energy: 0.4094473913906551
Energy: 0.48256912781547767
Energy: 0.3829172613915965
Energy: 0.48256912781547767
Energy: 0.3829172613904689
Energy: 0.48256912781547767
Energy: 0.3829172613915965
Energy: 0.4231204223430287
Energy: 0.4374372998168863
Energy: 0.4231204223445323
Energy: 0.4374372998165104
Energy: 0.4231204223441564
Energy: 0.4374372998168863
Energy: 0.5166708927275397
Energy: 0.5058098549472754
Energy: 0.5166708927279157
Energy: 0.5058098549468995
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Energy: 0.4299171977799751
Energy: 0.4931773613144604
Energy: 0.4299171977795992
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Energy: 0.42991719778035087
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Energy: 0.4046415419249093
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Energy: 0.4218873775463996
Energy: 0.4250850740447992
Energy: 0.4145944738509289
Energy: 0.42508507404517515
Energy: 0.41459447385017717
Energy: 0.42508507404517515
Energy: 0.41459447385055304
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Energy: 0.43378738683053847
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Energy: 0.41380054692671464
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Energy: 0.4427259689047771
Energy: 0.48687647621772806
Energy: 0.4427259689040253
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Energy: 0.4427259689047771
Energy: 0.4868764762181039
Energy: 0.5414948960463295
Energy: 0.5284110732939168
Energy: 0.5414948960474573
Energy: 0.5284110732935409
Energy: 0.5414948960474573
Energy: 0.5284110732939168
Energy: 0.4158653502054981
Energy: 0.4041825706441305
Energy: 0.4158653502054981
Energy: 0.40418257064262697
Energy: 0.4158653502066257
Energy: 0.40418257064337865
Energy: 0.3970373787242081
Energy: 0.3800110277709639
Energy: 0.39703737872458383
Energy: 0.3800110277709639
Energy: 0.3970373787253356
Energy: 0.3800110277709639
Energy: 0.43190396856697405
Energy: 0.4066931821505821
Energy: 0.43190396856622226
Energy: 0.40669318215208566
Energy: 0.4319039685665982
Energy: 0.4066931821513338
Energy: 0.4818112677690821
Energy: 0.39380123441098797
Energy: 0.48181126776870625
Energy: 0.39380123441098797
Energy: 0.48181126776945804
Energy: 0.39380123441098797
Energy: 0.4311491791679713
Energy: 0.4705879802756493
Energy: 0.43114917916909895
Energy: 0.47058798027940807
Energy: 0.4311491791675955
Energy: 0.4705879802790323
Energy: 0.40533439618956046
Energy: 0.42203851251370983
Energy: 0.40533439619219164
Energy: 0.4220385125133339
Energy: 0.4053343961906881
Energy: 0.4220385125133339
Energy: 0.3800336309604685
Energy: 0.4220987895596634
Energy: 0.3800336309600926
Energy: 0.42209878956229463
Energy: 0.3800336309600926
Energy: 0.4220987895645157
Energy: 0.3802911291020715
Energy: 0.41031249276922416
Energy: 0.3802911291028232
Energy: 0.41031249276884835
Energy: 0.38029112910131974
Energy: 0.4103124927696
Energy: 0.4493935191160319
Energy: 0.5917735088823758
Energy: 0.449393519115656
Energy: 0.5917735088838794
Energy: 0.4493935191160319
Energy: 0.5917735088827517
Energy: 0.4785944229198244
Energy: 0.4303823381016259
Energy: 0.4785944229202003
Energy: 0.43038233810125
Energy: 0.47859442291907267
Energy: 0.43038233810200177
Energy: 0.4316234831594617
Energy: 0.38212808313136337
Energy: 0.43162348316021343
Energy: 0.38212808313173924
Energy: 0.4316234831594617
Energy: 0.38212808313399454
Energy: 0.41391250073977565
Energy: 0.38235171587322214
Energy: 0.41391250073977565
Energy: 0.382351715873598
Energy: 0.4139125007393998
Energy: 0.382351715873598

minimum gb energy = 0.37997304935903564 eV
minimum distance =  2.70377780900886 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.5122731717491218
Energy: 0.40685173593160995
Energy: 0.51227317174866
Energy: 0.40685173593160995
Energy: 0.5122731717491218
Energy: 0.40685173593160995
Energy: 0.4735690962232391
Energy: 0.38025237837722714
Energy: 0.4735690962227775
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Energy: 0.4735690962232391
Energy: 0.3802523783776889
Energy: 0.43776633326603503
Energy: 0.4820999679166261
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Energy: 0.43776633326603503
Energy: 0.4820999679170878
Energy: 0.45124536782207864
Energy: 0.3971647882559047
Energy: 0.4512453678206935
Energy: 0.39716478825544305
Energy: 0.45124536782161695
Energy: 0.3971647882559047
Energy: 0.42503119607342243
Energy: 0.41110617979583125
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Energy: 0.43963747890777194
Energy: 0.41713793163729335
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Energy: 0.41713793163590823
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Energy: 0.4171379316363699
Energy: 0.42297023941005313
Energy: 0.4711036402913804
Energy: 0.422970239399434
Energy: 0.47110364029412954
Energy: 0.4229702394077447
Energy: 0.4711036402922828
Energy: 0.46964867394939364
Energy: 0.4361905281302748
Energy: 0.46964867394895293
Energy: 0.4361905281302748
Energy: 0.46964867394939364
Energy: 0.43619052813073655
Energy: 0.45672693228068983
Energy: 0.42487242345387266
Energy: 0.45672693228068983
Energy: 0.42487242345387266
Energy: 0.45672693228068983
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Energy: 0.4034465517612589
Energy: 0.4785622705897407
Energy: 0.4034465517621823
Energy: 0.4785622705892791
Energy: 0.403446551762644
Energy: 0.4785622705897407
Energy: 0.4982213974673055
Energy: 0.41892977637190904
Energy: 0.49822139746592037
Energy: 0.4189297763732941
Energy: 0.4982213974673055
Energy: 0.4189297763732941
Energy: 0.4698418438897532
Energy: 0.4297094088644761
Energy: 0.4698418438902149
Energy: 0.4297094088640143
Energy: 0.4698418438897532
Energy: 0.4297094088672463
Energy: 0.4384266272336836
Energy: 0.4175075268777826
Energy: 0.4384266272355304
Energy: 0.41750752687547416
Energy: 0.438426627234607
Energy: 0.41750752687685927
Energy: 0.3770992617043639
Energy: 0.4835326091012523
Energy: 0.3770992617039022
Energy: 0.4835326091026374
Energy: 0.3770992617039022
Energy: 0.48353260910217566
Energy: 0.4356528486575326
Energy: 0.451669318727901
Energy: 0.435652848657071
Energy: 0.451669318727901
Energy: 0.4356528486575326
Energy: 0.451669318727901
Energy: 0.4676503558677185
Energy: 0.44594810634408305
Energy: 0.46765035586818016
Energy: 0.44594810634452375
Energy: 0.4676503558686419
Energy: 0.44594810634452375
Energy: 0.4380336194972272
Energy: 0.3802958611075577
Energy: 0.4380336194976889
Energy: 0.3802958611075577
Energy: 0.43803361949676545
Energy: 0.3802958611075577
Energy: 0.4897843880787248
Energy: 0.4018595625870356
Energy: 0.4897843880791865
Energy: 0.401859562587959
Energy: 0.4897843880791865
Energy: 0.4018595625884207
Energy: 0.4886807395336944
Energy: 0.4126307813875519
Energy: 0.4886807395341561
Energy: 0.4126307813875519
Energy: 0.4886807395341561
Energy: 0.41263078138709014
Energy: 0.4381295536801775
Energy: 0.43689890449156227
Energy: 0.43812955368110085
Energy: 0.4368989044911005
Energy: 0.4381295536820242
Energy: 0.4368989044911005
Energy: 0.46813420221847013
Energy: 0.4140499549644595
Energy: 0.46813420221847013
Energy: 0.4140499549635361
Energy: 0.46813420221847013
Energy: 0.4140499549649212
Energy: 0.4651011699188572
Energy: 0.4368799523268852
Energy: 0.4651011699188572
Energy: 0.43687995232734683
Energy: 0.4651011699197807
Energy: 0.43687995232734683
Energy: 0.37737206611616586
Energy: 0.44203023948263903
Energy: 0.377372066117551
Energy: 0.4420302394821773
Energy: 0.37737206611662766
Energy: 0.4420302394821773
Energy: 0.43899933871032565
Energy: 0.4861804789364465
Energy: 0.43899933871032565
Energy: 0.48618047893690824
Energy: 0.43899933871032565
Energy: 0.48618047893690824
Energy: 0.39229063790122665
Energy: 0.41704126870305713
Energy: 0.39229063790122665
Energy: 0.41704126870305713
Energy: 0.3922906379021501
Energy: 0.4170412687025954
Energy: 0.46456078794818517
Energy: 0.4713548018410415
Energy: 0.46456078794633837
Energy: 0.4713548018410415
Energy: 0.4645607879477235
Energy: 0.4713548018410415
Energy: 0.4003353648168669
Energy: 0.4346857270235334
Energy: 0.4003353648168669
Energy: 0.4346857270401338
Energy: 0.4003353648173286
Energy: 0.4346857270401338
Energy: 0.4573954581094801
Energy: 0.4273722366229255
Energy: 0.45739545811086524
Energy: 0.42737223662246376
Energy: 0.4573954581104036
Energy: 0.427372236622002
Energy: 0.39211519092224567
Energy: 0.43620117284063176
Energy: 0.3921151909213223
Energy: 0.43620117284109355
Energy: 0.3921151909227074
Energy: 0.43620117284063176
Energy: 0.5067998579562841
Energy: 0.4841724458350001
Energy: 0.5067998579544373
Energy: 0.4841724458331532
Energy: 0.5067998579553608
Energy: 0.48417244583361496
Energy: 0.44003094588539743
Energy: 0.4177575588484582
Energy: 0.44003094588539743
Energy: 0.41775755884799654
Energy: 0.44003094588539743
Energy: 0.4177575588484582

minimum gb energy = 0.3770992617039022 eV
minimum distance =  2.6722081706239 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.4272273639384507
Energy: 0.37179277743373074
Energy: 0.42722736393904837
Energy: 0.3717927774343285
Energy: 0.4272273639384507
Energy: 0.3717927774343285
Energy: 0.39516810705002026
Energy: 0.34342496451691246
Energy: 0.39516810704942246
Energy: 0.34342496451631466
Energy: 0.39516810704942246
Energy: 0.3434249645157168
Energy: 0.450098914094523
Energy: 0.45009571211408106
Energy: 0.450098914094523
Energy: 0.45009571211408106
Energy: 0.4500989140939252
Energy: 0.45009571211408106
Energy: 0.3770005503707884
Energy: 0.40420664888919183
Energy: 0.3770005503624192
Energy: 0.40420664888859403
Energy: 0.37700055036421254
Energy: 0.40420664888859403
Energy: 0.4482885683539455
Energy: 0.4451464163379044
Energy: 0.4482885683539455
Energy: 0.4451464163361111
Energy: 0.4482885683539455
Energy: 0.4451464163379044
Energy: 0.45166593879029643
Energy: 0.34362709265649666
Energy: 0.45166593878969863
Energy: 0.34362709265649666
Energy: 0.45166593879029643
Energy: 0.34362709265589886
Energy: 0.42093031628898747
Energy: 0.5086538541279196
Energy: 0.4209303162895852
Energy: 0.5086538541279196
Energy: 0.4209303162895852
Energy: 0.5086538541279196
Energy: 0.42761880096499016
Energy: 0.373891840507226
Energy: 0.4276188009643923
Energy: 0.373891840507226
Energy: 0.4276188009643923
Energy: 0.373891840507226
Energy: 0.4191931468180176
Energy: 0.3963122792122222
Energy: 0.4191931468180176
Energy: 0.39631227921281986
Energy: 0.4191931468174198
Energy: 0.39631227921401563
Energy: 0.356278125894137
Energy: 0.39653155316902056
Energy: 0.35627812589473473
Energy: 0.39653155316902056
Energy: 0.35627812589473473
Energy: 0.39653155316961836
Energy: 0.42137431840173156
Energy: 0.5306572716604695
Energy: 0.4213743184011338
Energy: 0.5306572716598716
Energy: 0.4213743184011338
Energy: 0.5306572716598716
Energy: 0.44943599574241616
Energy: 0.4344174727945816
Energy: 0.449435995743014
Energy: 0.434417472793386
Energy: 0.449435995743014
Energy: 0.43441747279398374
Energy: 0.4151319927903292
Energy: 0.3962605152129909
Energy: 0.4151319927903292
Energy: 0.3962605152135887
Energy: 0.4151319927903292
Energy: 0.3962605152117953
Energy: 0.48822594070588815
Energy: 0.3489208819202083
Energy: 0.48822594070588815
Energy: 0.3489208819208061
Energy: 0.48822594070588815
Energy: 0.3489208819202083
Energy: 0.42027416830456965
Energy: 0.37201755925024554
Energy: 0.42027416830576525
Energy: 0.37201755925084334
Energy: 0.42027416830456965
Energy: 0.37201755924964774
Energy: 0.4202118041171745
Energy: 0.3936455302489225
Energy: 0.42021180411298986
Energy: 0.3936455302489225
Energy: 0.42021180411478326
Energy: 0.3936455302489225
Energy: 0.35328204225972787
Energy: 0.39531958189411737
Energy: 0.35328204225972787
Energy: 0.3953195818947151
Energy: 0.35328204225913
Energy: 0.3953195818947151
Energy: 0.41912787712231664
Energy: 0.35382702337143446
Energy: 0.41912787712231664
Energy: 0.35382702337143446
Energy: 0.41912787712291444
Energy: 0.3538270233726301
Energy: 0.35319987784110435
Energy: 0.3954882001812109
Energy: 0.3531998778405065
Energy: 0.3954882001818087
Energy: 0.3531998778405065
Energy: 0.3954882001806131
Energy: 0.42043491300727365
Energy: 0.39364386625934095
Energy: 0.42043491300727365
Energy: 0.39364386625934095
Energy: 0.42043491300667585
Energy: 0.39364386625934095
Energy: 0.41965893527666587
Energy: 0.37205938644423253
Energy: 0.4196589352778615
Energy: 0.37205938644423253
Energy: 0.41965893527726367
Energy: 0.37205938644423253
Energy: 0.48840435040860236
Energy: 0.5386207427327127
Energy: 0.4884043504080046
Energy: 0.5386207427321148
Energy: 0.48840435040860236
Energy: 0.5386207427327127
Energy: 0.41514479067429266
Energy: 0.3963628128004178
Energy: 0.4151447906736949
Energy: 0.39636281279982
Energy: 0.41514479067429266
Energy: 0.3963628128004178
Energy: 0.45080877976268763
Energy: 0.43444627876445435
Energy: 0.4508087797620898
Energy: 0.43444627876325875
Energy: 0.45080877976268763
Energy: 0.43444627876684555

minimum gb energy = 0.3434249645157168 eV
minimum distance =  2.63574960656029 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.41919076162749586
Energy: 0.36489065877479115
Energy: 0.41919076162834135
Energy: 0.36489065877479115
Energy: 0.41919076162834135
Energy: 0.3648906587756366
Energy: 0.371049690030618
Energy: 0.42656892284049663
Energy: 0.3710496900297726
Energy: 0.42656892284049663
Energy: 0.3710496900297726
Energy: 0.42656892284049663
Energy: 0.41311097178039663
Energy: 0.40433711888342977
Energy: 0.41311097178039663
Energy: 0.40433711888258433
Energy: 0.41311097178039663
Energy: 0.40433711888342977
Energy: 0.3808491946272122
Energy: 0.49851570034396386
Energy: 0.3808491946272122
Energy: 0.49851570034396386
Energy: 0.3808491946272122
Energy: 0.49851570034396386
Energy: 0.4251965110380876
Energy: 0.3799530154231732
Energy: 0.4251965110380876
Energy: 0.37995301542232773
Energy: 0.4251965110380876
Energy: 0.37995301542232773
Energy: 0.45388236249775843
Energy: 0.40630310108228784
Energy: 0.45388236249775843
Energy: 0.40630310108228784
Energy: 0.45388236249775843
Energy: 0.40630310108228784
Energy: 0.39351596058233823
Energy: 0.4397565645992287
Energy: 0.39351596058233823
Energy: 0.4397565646000741
Energy: 0.39351596058318367
Energy: 0.4397565645992287
Energy: 0.3809577422504874
Energy: 0.42330773674036953
Energy: 0.38095774224964196
Energy: 0.42330773673869787
Energy: 0.3809577422504874
Energy: 0.42330773673700706
Energy: 0.3941347397646619
Energy: 0.4262030126217511
Energy: 0.3941347397638165
Energy: 0.42620301262090565
Energy: 0.3941347397646619
Energy: 0.42620301262090565
Energy: 0.458390692906595
Energy: 0.4335768810794866
Energy: 0.45839069290744044
Energy: 0.4335768810794866
Energy: 0.458390692906595
Energy: 0.43357688108033204
Energy: 0.44988154691719845
Energy: 0.3830029164993302
Energy: 0.44988154691719845
Energy: 0.3830029164993302
Energy: 0.44988154691719845
Energy: 0.3830029164993302
Energy: 0.4069040936534503
Energy: 0.39466548722701383
Energy: 0.4069040936559867
Energy: 0.39466548722532296
Energy: 0.4069040936551412
Energy: 0.39466548722532296
Energy: 0.4097867036591459
Energy: 0.4058572147379158
Energy: 0.4097867036591459
Energy: 0.4058572147379158
Energy: 0.4097867036591459
Energy: 0.4058572147379158
Energy: 0.3724727776272772
Energy: 0.39989719839254856
Energy: 0.3724727776272772
Energy: 0.39989719839254856
Energy: 0.3724727776264317
Energy: 0.39989719839254856
Energy: 0.3693049100890693
Energy: 0.4086225468871545
Energy: 0.3693049100882238
Energy: 0.4086225468871545
Energy: 0.36930491008991473
Energy: 0.408622546886309
Energy: 0.45332375208827574
Energy: 0.5359624811858553
Energy: 0.45332375208827574
Energy: 0.53596248118501
Energy: 0.45332375208827574
Energy: 0.5359624811858553
Energy: 0.37142068975627285
Energy: 0.3985757254919775
Energy: 0.3714206897554274
Energy: 0.3985757254919775
Energy: 0.37142068975627285
Energy: 0.3985757254919775

minimum gb energy = 0.36489065877479115 eV
minimum distance =  2.66934270357443 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.3925717593316894
Energy: 0.35008328509523523
Energy: 0.3925717593329953
Energy: 0.3500832850949088
Energy: 0.39257175933266886
Energy: 0.35008328509556175
Energy: 0.365768926905864
Energy: 0.3737132732807981
Energy: 0.36576892690488455
Energy: 0.3737132732807981
Energy: 0.36576892690357865
Energy: 0.3737132732811245
Energy: 0.3971687878222391
Energy: 0.3716902606181628
Energy: 0.39716878782191267
Energy: 0.3716902606184893
Energy: 0.39716878782191267
Energy: 0.3716902606181628
Energy: 0.3673341088050751
Energy: 0.3612599326716091
Energy: 0.3673341088054016
Energy: 0.36125993267487383
Energy: 0.3673341088037692
Energy: 0.3612599326725885
Energy: 0.3824509399421826
Energy: 0.391882755618158
Energy: 0.38244393445441216
Energy: 0.39188275561783154
Energy: 0.3826106327299938
Energy: 0.391882755618158
Energy: 0.36518573370536517
Energy: 0.3498298845690207
Energy: 0.3651857337063446
Energy: 0.3498298845690207
Energy: 0.36518573370503865
Energy: 0.34982988456934716
Energy: 0.3533506974348026
Energy: 0.40947919605080674
Energy: 0.35335069743023195
Energy: 0.40947919605048033
Energy: 0.35335069743251724
Energy: 0.40947919605048033
Energy: 0.3987370062410156
Energy: 0.41869362771917384
Energy: 0.3987370062436274
Energy: 0.4186936277214592
Energy: 0.3987370062410156
Energy: 0.418693627723418
Energy: 0.43763769125553115
Energy: 0.3673822349099441
Energy: 0.43763769125455176
Energy: 0.3673822349115765
Energy: 0.4376376912558576
Energy: 0.3673822349099441
Energy: 0.35341431998253553
Energy: 0.37300445743637023
Energy: 0.35341431998090317
Energy: 0.37300445743637023
Energy: 0.35341431998253553
Energy: 0.37300445743637023
Energy: 0.3198629786348935
Energy: 0.3390263002302199
Energy: 0.3198629786410965
Energy: 0.3396998757600108
Energy: 0.31986297864142293
Energy: 0.3393160965763367
Energy: 0.39694601049697287
Energy: 0.39689344156172984
Energy: 0.3969460104979523
Energy: 0.39689344156107687
Energy: 0.39694601049729933
Energy: 0.39689344156172984
Energy: 0.41890123281668995
Energy: 0.39730696758729644
Energy: 0.41890123281636343
Energy: 0.39730696758566403
Energy: 0.41890123281668995
Energy: 0.39730696758599054
Energy: 0.41076153353012107
Energy: 0.3518796947646004
Energy: 0.41076153353110045
Energy: 0.3518796947652534
Energy: 0.41076153353012107
Energy: 0.35187969476721215
Energy: 0.38844464015817837
Energy: 0.38184719087381314
Energy: 0.3884446401598108
Energy: 0.3818471908734867
Energy: 0.38844464016141345
Energy: 0.3818471908744661
Energy: 0.38239992070298096
Energy: 0.38589737159307547
Energy: 0.38239992070363393
Energy: 0.3858973715927489
Energy: 0.38239992070330747
Energy: 0.39008132589721095
Energy: 0.3500857491627186
Energy: 0.36268900782676683
Energy: 0.35008574916108626
Energy: 0.36268900782676683
Energy: 0.35008574916075974
Energy: 0.36268900782676683
Energy: 0.4225801491418937
Energy: 0.3809027288681937
Energy: 0.42258014914352604
Energy: 0.3809027288659084
Energy: 0.4225801491389554
Energy: 0.3809027288668878
Energy: 0.4105762236492277
Energy: 0.36397631630871924
Energy: 0.41057622364824825
Energy: 0.36397631631002514
Energy: 0.4105762236492277
Energy: 0.3639763163090457
Energy: 0.34957161734716746
Energy: 0.3832922862688189
Energy: 0.34957161734586156
Energy: 0.3912639347345941
Energy: 0.3495716173465145
Energy: 0.37505919737340415
Energy: 0.4106072585922008
Energy: 0.36402676766249187
Energy: 0.4106072585922008
Energy: 0.36402676765726827
Energy: 0.41060725859187436
Energy: 0.36402676766249187
Energy: 0.42276489477362056
Energy: 0.38084271396626923
Energy: 0.42276489477427354
Energy: 0.3808427139636575
Energy: 0.42276489477427354
Energy: 0.38084271396920755
Energy: 0.35002569158615776
Energy: 0.3625616530725093
Energy: 0.35002569158713714
Energy: 0.3625616530728358
Energy: 0.3500256915864842
Energy: 0.3625616530728358
Energy: 0.38232669868710883
Energy: 0.4024362481607957
Energy: 0.3823266986861294
Energy: 0.4024362481591634
Energy: 0.3823266986884147
Energy: 0.4024362481594898
Energy: 0.38845950298523535
Energy: 0.38177856776808666
Energy: 0.38845950298523535
Energy: 0.38177856776808666
Energy: 0.38845950298523535
Energy: 0.3817785677690661
Energy: 0.41046803759020944
Energy: 0.35159235770410874
Energy: 0.41046803759184186
Energy: 0.35159235770476166
Energy: 0.41046803759184186
Energy: 0.35159235770541464
Energy: 0.41883369108601237
Energy: 0.39749761673322154
Energy: 0.41883369108699176
Energy: 0.39749761673387446
Energy: 0.4188336910863388
Energy: 0.39749761673256856
Energy: 0.3969081080578811
Energy: 0.3962441949396509
Energy: 0.3969081080591871
Energy: 0.39624419493932445
Energy: 0.3969081080578811
Energy: 0.39624419493867147
Energy: 0.3196003608318391
Energy: 0.3390225206343441
Energy: 0.31960036083379795
Energy: 0.3379364113626633
Energy: 0.3196003608354303
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Energy: 0.3534150490649719
Energy: 0.37297485903767646
Energy: 0.3534150490646454
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Energy: 0.35341504906203364
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Energy: 0.43774214183946913
Energy: 0.3673315399499342
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Energy: 0.43774214183979565
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Energy: 0.3988476846934918
Energy: 0.41878886898730033
Energy: 0.39884768469447124
Energy: 0.41878886899285045
Energy: 0.39884768469447124
Energy: 0.41878886898893275
Energy: 0.35350003792443985
Energy: 0.40931805834805257
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Energy: 0.40931805834805257
Energy: 0.3535000379146752
Energy: 0.40931805834772617
Energy: 0.36526672941398874
Energy: 0.336101184322417
Energy: 0.3652667294152946
Energy: 0.33610118432176406
Energy: 0.3652667294149682
Energy: 0.3361011843220905
Energy: 0.38262618106416957
Energy: 0.3919589647914151
Energy: 0.38263702696405416
Energy: 0.3919589647914151
Energy: 0.38263288708637183
Energy: 0.3919589647920681
Energy: 0.3673065150049359
Energy: 0.43879662795540525
Energy: 0.3673065150019977
Energy: 0.4387966279550788
Energy: 0.3673065150026506
Energy: 0.43879662795540525
Energy: 0.3970486706230481
Energy: 0.3715974067695984
Energy: 0.3970486706210893
Energy: 0.3715974067695984
Energy: 0.3970486706230481
Energy: 0.37159740676927194
Energy: 0.3658758199727525
Energy: 0.3720089427888214
Energy: 0.3658758200021351
Energy: 0.3720089427888214
Energy: 0.3658758200047469
Energy: 0.3720089427891479
Energy: 0.3925717593343013
Energy: 0.35008328509817355
Energy: 0.3925717593339747
Energy: 0.3500832850985
Energy: 0.3925717593343013
Energy: 0.35008328509817355
Energy: 0.3657689269061904
Energy: 0.3927386929984242
Energy: 0.3657689268954168
Energy: 0.3927386929980977
Energy: 0.36576892689443735
Energy: 0.3927386929994036
Energy: 0.3971687878238715
Energy: 0.37169026060706273
Energy: 0.3971687878232185
Energy: 0.37169026060347155
Energy: 0.39716878782419796
Energy: 0.37169026060314503
Energy: 0.36733410880638107
Energy: 0.3612599326817298
Energy: 0.36733410880703393
Energy: 0.3612599326810768
Energy: 0.3673341088060545
Energy: 0.3612599326810768
Energy: 0.38245075422793035
Energy: 0.39188275561685215
Energy: 0.38245075016220653
Energy: 0.3918827556165256
Energy: 0.3824436619935208
Energy: 0.39188275561717856

minimum gb energy = 0.3196003608318391 eV
minimum distance =  2.64812347882467 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.3691220741407406
Energy: 0.33197557799049493
Energy: 0.3691220741492458
Energy: 0.33197557799049493
Energy: 0.36912207414765114
Energy: 0.331975577991558
Energy: 0.34250507523914214
Energy: 0.3696156428460058
Energy: 0.34250507523807894
Energy: 0.36961564284547416
Energy: 0.34250507523914214
Energy: 0.3696156428465373
Energy: 0.3864651488279841
Energy: 0.3539237515897764
Energy: 0.38646514882904726
Energy: 0.35392375158924483
Energy: 0.38646514882851574
Energy: 0.3539237515897764
Energy: 0.35258189799658246
Energy: 0.3722277405272831
Energy: 0.352581898000835
Energy: 0.3722277405272831
Energy: 0.35258189800668244
Energy: 0.3722277405272831
Energy: 0.432615379544512
Energy: 0.3449811155699588
Energy: 0.43261537954823304
Energy: 0.3449811155699588
Energy: 0.4326153795455752
Energy: 0.3449811155699588
Energy: 0.3561961805514089
Energy: 0.3229220259972124
Energy: 0.3561961805514089
Energy: 0.3229220259982756
Energy: 0.3561961805519405
Energy: 0.322922025997744
Energy: 0.35618591828441815
Energy: 0.39030078118031686
Energy: 0.356185918286013
Energy: 0.39030078118031686
Energy: 0.35618591828335505
Energy: 0.39030078117978523
Energy: 0.38739712044516605
Energy: 0.3843789914976386
Energy: 0.38739712044357133
Energy: 0.3843789914976386
Energy: 0.3873971204456977
Energy: 0.38437899149657545
Energy: 0.37476218970663755
Energy: 0.32435667180046623
Energy: 0.3747621897071691
Energy: 0.32435667180578204
Energy: 0.3747621897071691
Energy: 0.32435667180046623
Energy: 0.3336528775040359
Energy: 0.37929001435782256
Energy: 0.33365287750509903
Energy: 0.37929001435782256
Energy: 0.3336528775035043
Energy: 0.37929001435782256
Energy: 0.35589511494215326
Energy: 0.4319849553379714
Energy: 0.3558951149426848
Energy: 0.4319849553246819
Energy: 0.35589511494427956
Energy: 0.4319849553400977
Energy: 0.34390437449534245
Energy: 0.3564868787892926
Energy: 0.34390437449640554
Energy: 0.3564868787892926
Energy: 0.34390437449587397
Energy: 0.3564868787892926
Energy: 0.3322419149914974
Energy: 0.38289879394876153
Energy: 0.332241914992029
Energy: 0.38289879394929316
Energy: 0.332241914992029
Energy: 0.38289879394929316
Energy: 0.35418767225147046
Energy: 0.34308584527899494
Energy: 0.35418767225147046
Energy: 0.34308584528324754
Energy: 0.35418767225519154
Energy: 0.34308584527633706
Energy: 0.38154977700544046
Energy: 0.39206211504410676
Energy: 0.38154977700544046
Energy: 0.39206211504091737
Energy: 0.38154977700544046
Energy: 0.392062115038791
Energy: 0.377151021408518
Energy: 0.3803868085764547
Energy: 0.377151021408518
Energy: 0.3803868085791126
Energy: 0.37715102140745477
Energy: 0.3803868085769863
Energy: 0.38411072796924123
Energy: 0.3974950865940499
Energy: 0.38411072797083595
Energy: 0.39749508659245514
Energy: 0.3841107279703044
Energy: 0.39749508659351834
Energy: 0.3692789005882722
Energy: 0.3648947658775564
Energy: 0.36927890058774054
Energy: 0.364894765878088
Energy: 0.3692789005882722
Energy: 0.36489476587861963
Energy: 0.362910422123451
Energy: 0.35873152830885485
Energy: 0.362910422123451
Energy: 0.3587315283141706
Energy: 0.362910422123451
Energy: 0.358731528313639
Energy: 0.36349211507438306
Energy: 0.3634258184741638
Energy: 0.3634921150690673
Energy: 0.3634258184741638
Energy: 0.3634921150759778
Energy: 0.36342581847363215
Energy: 0.39812984263745665
Energy: 0.3599625533478316
Energy: 0.39812984263798823
Energy: 0.35996255334570526
Energy: 0.39812984263798823
Energy: 0.3599625533451737
Energy: 0.35545376034774856
Energy: 0.35923820504957693
Energy: 0.35545376034721704
Energy: 0.35923820503947695
Energy: 0.3554537603466854
Energy: 0.3592382050527664
Energy: 0.33491578183374954
Energy: 0.3405428630354533
Energy: 0.33491578183640747
Energy: 0.3405428630354533
Energy: 0.33491578183640747
Energy: 0.3405428630354533
Energy: 0.393589673899962
Energy: 0.46849834392971623
Energy: 0.39358967390155675
Energy: 0.4684983439323742
Energy: 0.3935896739010252
Energy: 0.4684983439265269
Energy: 0.38560827961101213
Energy: 0.45932767453839063
Energy: 0.38560827961101213
Energy: 0.45932767453785905
Energy: 0.38560827961101213
Energy: 0.45932767453892226
Energy: 0.33081378577591625
Energy: 0.3409672183539668
Energy: 0.33081378577751097
Energy: 0.3409672183534352
Energy: 0.3308137857785741
Energy: 0.3409672183544984
Energy: 0.36298517274747216
Energy: 0.3593529668904267
Energy: 0.36298517274959846
Energy: 0.3593529668914899
Energy: 0.3629851727480038
Energy: 0.3593529668920214

minimum gb energy = 0.3229220259972124 eV
minimum distance =  2.63972448118731 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.4294022767477824
Energy: 0.3112608361529603
Energy: 0.42940227674584586
Energy: 0.3112608361533476
Energy: 0.42940227674545856
Energy: 0.3112608361529603
Energy: 0.35074780642516995
Energy: 0.3391541248543173
Energy: 0.35074780642323344
Energy: 0.33915412485392993
Energy: 0.35074780642400805
Energy: 0.3391541248547046
Energy: 0.3594269900626305
Energy: 0.3506600113944184
Energy: 0.3594269900653417
Energy: 0.350660011395193
Energy: 0.3594269900626305
Energy: 0.350660011395193
Energy: 0.4090818522125316
Energy: 0.33281068257832463
Energy: 0.40908185220982046
Energy: 0.33281068257832463
Energy: 0.40908185221291893
Energy: 0.33281068257832463
Energy: 0.414297163825114
Energy: 0.32957257262976186
Energy: 0.41429716382666326
Energy: 0.32957257263014916
Energy: 0.41429716382395204
Energy: 0.32957257263014916
Energy: 0.32373523532720266
Energy: 0.29848288468185774
Energy: 0.323735235326428
Energy: 0.29848288468263234
Energy: 0.323735235326428
Energy: 0.29848288468185774
Energy: 0.3385473569746758
Energy: 0.35021488590741473
Energy: 0.3385473569750631
Energy: 0.35021488590741473
Energy: 0.33854735697041544
Energy: 0.3502148859078021
Energy: 0.4288975222040156
Energy: 0.32891771703528666
Energy: 0.42889752220440286
Energy: 0.328917717034512
Energy: 0.4288975222016917
Energy: 0.32891771703528666
Energy: 0.3074637462649609
Energy: 0.29762965144175557
Energy: 0.3074637462657355
Energy: 0.29762965144175557
Energy: 0.3074637462653483
Energy: 0.2976296514421429
Energy: 0.3054677614521998
Energy: 0.3306481198956642
Energy: 0.305467770450029
Energy: 0.3306481198948896
Energy: 0.3054677631482273
Energy: 0.3306481198948896
Energy: 0.3835163385978397
Energy: 0.36390583536983534
Energy: 0.3835163385966777
Energy: 0.36390583536983534
Energy: 0.3835163385951285
Energy: 0.36390583536983534
Energy: 0.3340276374845665
Energy: 0.297486729545648
Energy: 0.3340276374845665
Energy: 0.2974867295437114
Energy: 0.3340276374845665
Energy: 0.29748672954254946
Energy: 0.30472229728351513
Energy: 0.323317125086556
Energy: 0.3047222972900994
Energy: 0.323317125086556
Energy: 0.3047222972873882
Energy: 0.323317125086556
Energy: 0.39433536369594324
Energy: 0.3670429567716014
Energy: 0.3943353636967178
Energy: 0.36704295677121407
Energy: 0.3943353636963305
Energy: 0.3670429567708268
Energy: 0.33097852561045105
Energy: 0.2968022409668854
Energy: 0.3309785256100637
Energy: 0.29680224097811736
Energy: 0.33097852561045105
Energy: 0.29680224097385693
Energy: 0.310488990047134
Energy: 0.32305462296862947
Energy: 0.3104889900479086
Energy: 0.3230546229682422
Energy: 0.3104889900475213
Energy: 0.3230546229682422
Energy: 0.3177714601299555
Energy: 0.3675538123209345
Energy: 0.3177714601295682
Energy: 0.3675538123201599
Energy: 0.31777146012763163
Energy: 0.3675538123205471
Energy: 0.3146168394216295
Energy: 0.32892850726519635
Energy: 0.31461683942124213
Energy: 0.3289285072620979
Energy: 0.3146168394216295
Energy: 0.3289285072663583
Energy: 0.32053893131691785
Energy: 0.34620478970074847
Energy: 0.3205389313165305
Energy: 0.34620478970074847
Energy: 0.32053893131807976
Energy: 0.3462047897011358
Energy: 0.34350897408760556
Energy: 0.40401578870963173
Energy: 0.34350897408644365
Energy: 0.404015788710019
Energy: 0.34350897408721826
Energy: 0.404015788710019
Energy: 0.34297692269945507
Energy: 0.3953119523505311
Energy: 0.34297692269906777
Energy: 0.3953119523493693
Energy: 0.34297692269945507
Energy: 0.39531195234975663
Energy: 0.3545604221003205
Energy: 0.3538309915521778
Energy: 0.3545604221007078
Energy: 0.3538309915510159
Energy: 0.3545604221003205
Energy: 0.3538309915510159
Energy: 0.34322633096204447
Energy: 0.35191233531884014
Energy: 0.3432263309624317
Energy: 0.3519123353176782
Energy: 0.3432263309616571
Energy: 0.35191233531845284
Energy: 0.33441166554438323
Energy: 0.37737664659079584
Energy: 0.3344116655451579
Energy: 0.37737664659118325
Energy: 0.3344116655447706
Energy: 0.37737664659118325
Energy: 0.31359137742483656
Energy: 0.33145917221841115
Energy: 0.31359137742561116
Energy: 0.33145917221841115
Energy: 0.31359137742483656
Energy: 0.33145917221841115
Energy: 0.3259401016100497
Energy: 0.3334171437701475
Energy: 0.3259401016108243
Energy: 0.3334171437705348
Energy: 0.32594010160966236
Energy: 0.3334171437705348
Energy: 0.3143100842798524
Energy: 0.4058755447930434
Energy: 0.3143100842814016
Energy: 0.405875544792656
Energy: 0.314310084280627
Energy: 0.405875544792656
Energy: 0.3023255553750044
Energy: 0.3420339676335898
Energy: 0.3023255553746171
Energy: 0.34203396763397703
Energy: 0.3023255553746171
Energy: 0.34203396763397703
Energy: 0.2935807932514616
Energy: 0.3076296511539037
Energy: 0.2935807932510742
Energy: 0.30762965115429103
Energy: 0.2935807932514616
Energy: 0.3076296511539037
Energy: 0.3305527283981149
Energy: 0.3872420000128792
Energy: 0.33055272839888955
Energy: 0.3872420000124919
Energy: 0.3305527283973403
Energy: 0.3872420000124919
Energy: 0.3082791967227633
Energy: 0.4354164718660424
Energy: 0.30827919672431253
Energy: 0.4354164718656551
Energy: 0.30827919672237597
Energy: 0.4354164718660424
Energy: 0.29378311114155004
Energy: 0.2976288421057376
Energy: 0.2937831111419373
Energy: 0.2976288421057376
Energy: 0.2937831111419373
Energy: 0.2976288421057376
Energy: 0.3239794691783504
Energy: 0.2970173319883324
Energy: 0.3239794691775758
Energy: 0.2970173319875578
Energy: 0.32397946917796305
Energy: 0.2970173319883324
Energy: 0.33761459580589015
Energy: 0.3848457950957425
Energy: 0.3376145958062774
Energy: 0.38484579509303135
Energy: 0.33761459580511555
Energy: 0.384845795093806
Energy: 0.3038432490995053
Energy: 0.32323274725294265
Energy: 0.3038432490995053
Energy: 0.32323274725255535
Energy: 0.3038432490998926
Energy: 0.32323274725255535
Energy: 0.3024801053837431
Energy: 0.29676674695381355
Energy: 0.3024801053837431
Energy: 0.296766746895365
Energy: 0.30248010538335585
Energy: 0.29676674690466043

minimum gb energy = 0.2935807932510742 eV
minimum distance =  2.63586697344758 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.17329550025515336
Energy: 0.1907505504895908
Energy: 0.06962645246299137
Energy: 0.19075055048973635
Energy: 0.17329550025515336
Energy: 0.1907505504895908
Energy: 0.44093004902694377
Energy: 0.07030200516808637
Energy: 0.4409300490266688
Energy: 0.07030200516808637
Energy: 0.4409300490270892
Energy: 0.07030200516865236
Energy: 0.4499164329233515
Energy: 0.07103682159049855
Energy: 0.44991643292293104
Energy: 0.07103682159035303
Energy: 0.4499164329234971
Energy: 0.07103682159078963
Energy: 0.06962645246313691
Energy: 0.19075055048917036
Energy: 0.06962645246341181
Energy: 0.1907505504890248
Energy: 0.06962645246299137
Energy: 0.19075055048917036
Energy: 0.4409300490265232
Energy: 0.07030200516752037
Energy: 0.4409300490263777
Energy: 0.07030200516823192
Energy: 0.4409300490263777
Energy: 0.07030200516852299
Energy: 0.4499164329233515
Energy: 0.07103682159035303
Energy: 0.44991643292293104
Energy: 0.07103682159049855
Energy: 0.4499164329233515
Energy: 0.07103682158993256
Energy: 0.1732955002542963
Energy: 0.1907505504890248
Energy: 0.06962645246355735
Energy: 0.19075055048917036
Energy: 0.1732955002542963
Energy: 0.19075055048944528
Energy: 0.4409300490261028
Energy: 0.07030200516852299
Energy: 0.4409300490256661
Energy: 0.07030200516852299
Energy: 0.4409300490259573
Energy: 0.07030200516894343
Energy: 0.449916432923206
Energy: 0.07103682159078963
Energy: 0.44991643292293104
Energy: 0.07103682159093518
Energy: 0.4499164329233515
Energy: 0.07103682159007811
Energy: 0.06962645246341181
Energy: 0.19075055048944528
Energy: 0.06962645246313691
Energy: 0.1907505504895908
Energy: 0.06962645246328245
Energy: 0.19075055048973635

minimum gb energy = 0.06962645246299137 eV
minimum distance =  2.751750743863 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.38962815936262063
Energy: 0.2996132409349489
Energy: 0.3896281593630465
Energy: 0.29961324093537484
Energy: 0.38962815936262063
Energy: 0.29961324093537484
Energy: 0.27725880980296275
Energy: 0.27320948612329016
Energy: 0.2772588098016852
Energy: 0.27320948612329016
Energy: 0.2772588098033887
Energy: 0.27320948612329016
Energy: 0.355257454750531
Energy: 0.27314945258776097
Energy: 0.35525745474882753
Energy: 0.27314945258605755
Energy: 0.35525745474882753
Energy: 0.2731494525881868
Energy: 0.3180924278653796
Energy: 0.3091917849034606
Energy: 0.3180924278653796
Energy: 0.3091917849034606
Energy: 0.31809242786580544
Energy: 0.3091917849034606
Energy: 0.32823820939366866
Energy: 0.30087358170618894
Energy: 0.32823820939366866
Energy: 0.30087358170618894
Energy: 0.3282382093940944
Energy: 0.3008735817053373
Energy: 0.34546669049144924
Energy: 0.32014105204803694
Energy: 0.34546669049144924
Energy: 0.32014105204803694
Energy: 0.34546669049144924
Energy: 0.32014105204761106
Energy: 0.29199474084985394
Energy: 0.3367427269765057
Energy: 0.29199474084602123
Energy: 0.3367427269765057
Energy: 0.29199474085070565
Energy: 0.3367427269760799
Energy: 0.3217865693367927
Energy: 0.30200430952516766
Energy: 0.3217865693367927
Energy: 0.3020043095217802
Energy: 0.3217865693367927
Energy: 0.30200430952772284
Energy: 0.3457792155170366
Energy: 0.3535203902835167
Energy: 0.3457792155170366
Energy: 0.3535203902835167
Energy: 0.3457792155170366
Energy: 0.3535203902835167
Energy: 0.29214675297281184
Energy: 0.3218483397237922
Energy: 0.2921467529732377
Energy: 0.3218483397237922
Energy: 0.29214675297281184
Energy: 0.32184833972421795
Energy: 0.324669608535693
Energy: 0.31919637982391386
Energy: 0.324669608535693
Energy: 0.3191963798230621
Energy: 0.324669608535693
Energy: 0.31919637982391386
Energy: 0.3656637908319641
Energy: 0.3779261523122105
Energy: 0.3656637908315383
Energy: 0.3779261523126363
Energy: 0.3656637908315383
Energy: 0.3779261523122105
Energy: 0.2978058394992296
Energy: 0.30847885768815475
Energy: 0.2978058394983779
Energy: 0.30847885768815475
Energy: 0.2978058394983779
Energy: 0.30847885768815475
Energy: 0.2841357129737607
Energy: 0.31082021876378535
Energy: 0.28413571297333484
Energy: 0.3108202187650629
Energy: 0.28413571297290896
Energy: 0.3108202187642112
Energy: 0.31954627347742415
Energy: 0.320592332562505
Energy: 0.31954627347827586
Energy: 0.32059233256420844
Energy: 0.31954627347827586
Energy: 0.32059233256504077
Energy: 0.29772120021000253
Energy: 0.3228011072175823
Energy: 0.29772120021000253
Energy: 0.3228011072175823
Energy: 0.29772120021000253
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Energy: 0.3446322312525099
Energy: 0.274734558690307
Energy: 0.3446322312516582
Energy: 0.2747345586907329
Energy: 0.34463223125208403
Energy: 0.27473455869115865
Energy: 0.31962660938709325
Energy: 0.30060096909728107
Energy: 0.31962660938751913
Energy: 0.30060096909642936
Energy: 0.31962660938709325
Energy: 0.30060096909642936
Energy: 0.3186792262036166
Energy: 0.35461670425756847
Energy: 0.3186792262031908
Energy: 0.35461670425756847
Energy: 0.3186792262040231
Energy: 0.35461670425756847
Energy: 0.3164404894105566
Energy: 0.33243698265422605
Energy: 0.31644048941226
Energy: 0.33243698265337435
Energy: 0.3164404894114083
Energy: 0.33243698265422605
Energy: 0.33188007302709727
Energy: 0.2767801900911224
Energy: 0.3318800730266714
Energy: 0.27678019009239996
Energy: 0.3318800730266714
Energy: 0.276780190083457
Energy: 0.288576713854526
Energy: 0.3273868668683528
Energy: 0.2885767138549519
Energy: 0.3273868668683528
Energy: 0.2885767138549519
Energy: 0.32738686686877866
Energy: 0.31939267492557566
Energy: 0.3114545468393794
Energy: 0.31939267492557566
Energy: 0.3114545468457672
Energy: 0.31939267492600154
Energy: 0.3114545468351402
Energy: 0.318628619596328
Energy: 0.2673668279224076
Energy: 0.31862861959803146
Energy: 0.2673668279228335
Energy: 0.31862861959505046
Energy: 0.26736682792198174
Energy: 0.3201512518054572
Energy: 0.3522225526677398
Energy: 0.3201512518063089
Energy: 0.352222552667314
Energy: 0.32015125180588305
Energy: 0.3522225526677398
Energy: 0.297589392667201
Energy: 0.3003056493458901
Energy: 0.297589392667201
Energy: 0.3003056493446125
Energy: 0.297589392667201
Energy: 0.3003056493446125
Energy: 0.3679435800584881
Energy: 0.33595011006279973
Energy: 0.36794358005891403
Energy: 0.33595011006279973
Energy: 0.3679435800584881
Energy: 0.3359501100636514
Energy: 0.29151519079652166
Energy: 0.3465881536476557
Energy: 0.29151519079652166
Energy: 0.3465881536472299
Energy: 0.29151519079609584
Energy: 0.3465881536472299
Energy: 0.28245660699568936
Energy: 0.30087985917797344
Energy: 0.28245660699568936
Energy: 0.30087985917754756
Energy: 0.28245660699654107
Energy: 0.30087985917797344
Energy: 0.3691283310946354
Energy: 0.3433250376098651
Energy: 0.3691283310946354
Energy: 0.3433250376098651
Energy: 0.3691283310954871
Energy: 0.3433250376098651
Energy: 0.32436013760232063
Energy: 0.33813285268022486
Energy: 0.3243601376031724
Energy: 0.33813285268022486
Energy: 0.3243601376044499
Energy: 0.33813285268022486
Energy: 0.31929520478227974
Energy: 0.2906382890218426
Energy: 0.31929520478227974
Energy: 0.2906382890214167
Energy: 0.3192952047818539
Energy: 0.2906382890214167
Energy: 0.2631803364137211
Energy: 0.33168441533744913
Energy: 0.2631803364137211
Energy: 0.33168441533744913
Energy: 0.26318033641414695
Energy: 0.33168441533744913

minimum gb energy = 0.2631803364137211 eV
minimum distance =  2.6871120730372 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.4319504641910463
Energy: 0.3586264688339638
Energy: 0.4319504641910463
Energy: 0.3586264688333571
Energy: 0.43195046418986033
Energy: 0.3586264688339638
Energy: 0.37502035409104484
Energy: 0.3753605975346136
Energy: 0.3750203540916516
Energy: 0.3753605975346136
Energy: 0.37502035409104484
Energy: 0.37536059753522044
Energy: 0.44059046296590615
Energy: 0.3775030241719072
Energy: 0.4405904629646925
Energy: 0.3775030241719072
Energy: 0.4405904629640857
Energy: 0.3775030241719072
Energy: 0.42138194559494896
Energy: 0.35168735336214124
Energy: 0.42138194559494896
Energy: 0.35168735336214124
Energy: 0.42138194559373543
Energy: 0.35168735336214124
Energy: 0.3749051488335194
Energy: 0.3485264221882506
Energy: 0.3749051488329126
Energy: 0.3485264221882506
Energy: 0.3749051488329126
Energy: 0.34852642218764374
Energy: 0.40186076657485587
Energy: 0.3927542977589602
Energy: 0.401860766574249
Energy: 0.3927542977589602
Energy: 0.40186076657485587
Energy: 0.39275429775835335
Energy: 0.3376423754391244
Energy: 0.3947205906094636
Energy: 0.33764237543973125
Energy: 0.3947205906094636
Energy: 0.3376423754391244
Energy: 0.3947205906094636
Energy: 0.40261412779129635
Energy: 0.3832351668615336
Energy: 0.4026141277906896
Energy: 0.3832351668615336
Energy: 0.40261412779129635
Energy: 0.3832351668609269
Energy: 0.39502587124783695
Energy: 0.3785221476651366
Energy: 0.39502587124723015
Energy: 0.3785221476633161
Energy: 0.39502587124783695
Energy: 0.37852214766452974
Energy: 0.3363676257609235
Energy: 0.37655079444469375
Energy: 0.3363676257609235
Energy: 0.37655079444469375
Energy: 0.33636762576153034
Energy: 0.37655079444469375
Energy: 0.356944545285457
Energy: 0.41897931634487495
Energy: 0.35694454528424335
Energy: 0.41897931634487495
Energy: 0.356944545285457
Energy: 0.4189793163442957
Energy: 0.3679217848036897
Energy: 0.3555632813630713
Energy: 0.3679217848030829
Energy: 0.35556328136367815
Energy: 0.3679217848036897
Energy: 0.3555632813630713
Energy: 0.37085078404782174
Energy: 0.4052289351108578
Energy: 0.37085078404782174
Energy: 0.4052289351108578
Energy: 0.37085078404782174
Energy: 0.4052289351108578
Energy: 0.3616619833829343
Energy: 0.45332770363723424
Energy: 0.3616619833829343
Energy: 0.45332770363662744
Energy: 0.3616619833835411
Energy: 0.45332770363662744
Energy: 0.371660627692271
Energy: 0.3193586874518927
Energy: 0.37166062769166425
Energy: 0.3193586874518927
Energy: 0.371660627692271
Energy: 0.3193586874506791
Energy: 0.3697451868972764
Energy: 0.36132053778953505
Energy: 0.36974518689849
Energy: 0.3613205377913554
Energy: 0.3697451868972764
Energy: 0.3613205377901419
Energy: 0.3601127017732334
Energy: 0.37744232899991964
Energy: 0.36011270177384014
Energy: 0.37744232899931296
Energy: 0.3601127017732334
Energy: 0.37744232899991964
Energy: 0.33341977646687065
Energy: 0.3624153839751269
Energy: 0.33341977646565707
Energy: 0.36241538397573375
Energy: 0.33341977646747745
Energy: 0.36241538397573375
Energy: 0.36629546570992977
Energy: 0.4154817471444692
Energy: 0.36629546570992977
Energy: 0.41548174714386243
Energy: 0.36629546570932303
Energy: 0.4154817471444692
Energy: 0.39330033729927644
Energy: 0.34473817957121433
Energy: 0.39330033729927644
Energy: 0.34473817957121433
Energy: 0.3933003373010968
Energy: 0.34473817957121433
Energy: 0.3964748853480141
Energy: 0.3186593699338027
Energy: 0.39647488534740727
Energy: 0.3186593699338027
Energy: 0.39647488534922776
Energy: 0.3186593699338027
Energy: 0.4354845211888655
Energy: 0.418231387070842
Energy: 0.4354845211894722
Energy: 0.4182313870714488
Energy: 0.4354845211888655
Energy: 0.41823138707023516
Energy: 0.3757438239703824
Energy: 0.34437200151621394
Energy: 0.37574382396977557
Energy: 0.34437200151560715
Energy: 0.37574382396977557
Energy: 0.34437200151621394

minimum gb energy = 0.3186593699338027 eV
minimum distance =  2.68826281719639 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.46841063365196367
Energy: 0.3635980483361037
Energy: 0.46841063365273355
Energy: 0.3635980483357188
Energy: 0.4684106336523486
Energy: 0.3635980483361037
Energy: 0.4018715049524691
Energy: 0.4063364524737284
Energy: 0.4018715049524691
Energy: 0.4063364524737284
Energy: 0.4018715049520842
Energy: 0.4063364524741133
Energy: 0.44023573625752976
Energy: 0.4069006648867345
Energy: 0.4402357362579147
Energy: 0.40690066488750437
Energy: 0.44023573625829965
Energy: 0.40690066488750437
Energy: 0.4613609173039034
Energy: 0.3711809885702288
Energy: 0.4613609173035184
Energy: 0.3711809885702288
Energy: 0.4613609173035184
Energy: 0.3711809885702288
Energy: 0.42276897934142665
Energy: 0.43086722477725165
Energy: 0.42276897934104174
Energy: 0.43086722477725165
Energy: 0.42276897934142665
Energy: 0.43086722477725165
Energy: 0.48135918188502697
Energy: 0.45281295978378033
Energy: 0.48135918188656673
Energy: 0.4528129597833954
Energy: 0.48135918188579685
Energy: 0.45281295978378033
Energy: 0.40067899499813975
Energy: 0.44167918892539243
Energy: 0.40067899499813975
Energy: 0.44167918892539243
Energy: 0.40067899499813975
Energy: 0.44167918892500746
Energy: 0.3821381353149933
Energy: 0.46169444838630713
Energy: 0.38213813531460833
Energy: 0.46169444838630713
Energy: 0.3821381353153782
Energy: 0.46169444838630713
Energy: 0.40513533517832845
Energy: 0.4445455496598756
Energy: 0.40513533517909833
Energy: 0.4445455496602605
Energy: 0.40513533517948325
Energy: 0.4445455496579509
Energy: 0.3965817721782787
Energy: 0.44882274658101534
Energy: 0.39658177217750884
Energy: 0.44882274658101534
Energy: 0.39658177217789375
Energy: 0.44882274658101534
Energy: 0.38847268827139664
Energy: 0.4730833398142738
Energy: 0.3884726882733213
Energy: 0.4730833398146588
Energy: 0.38847268827178155
Energy: 0.4730833398146588
Energy: 0.40101424473118263
Energy: 0.40812154149940644
Energy: 0.4010142447319525
Energy: 0.40812154149940644
Energy: 0.4010142447307977
Energy: 0.40812154149940644
Energy: 0.4228038665786669
Energy: 0.36574311313534763
Energy: 0.42280386657905183
Energy: 0.3657431131349627
Energy: 0.422803866578282
Energy: 0.36574311313534763
Energy: 0.39262893508653396
Energy: 0.40503343835807326
Energy: 0.39262893508691893
Energy: 0.40503343835807326
Energy: 0.39262893508730384
Energy: 0.4050334383573034
Energy: 0.36095130081595905
Energy: 0.4051187331042096
Energy: 0.36095130081518906
Energy: 0.4051187331042096
Energy: 0.3609513008167289
Energy: 0.4051187331038247
Energy: 0.4611963218109882
Energy: 0.43776799145072876
Energy: 0.4611963218109882
Energy: 0.43776799145072876
Energy: 0.4611963218109882
Energy: 0.43776799145072876
Energy: 0.4191930341627743
Energy: 0.3774422715336726
Energy: 0.41919303416354414
Energy: 0.3774422715329027
Energy: 0.4191930341627743
Energy: 0.37744227153174786
Energy: 0.45460175928367746
Energy: 0.44391430601155024
Energy: 0.45460175928252267
Energy: 0.44391430601155024
Energy: 0.45460175928252267
Energy: 0.4439143060119352
Energy: 0.40016040194201924
Energy: 0.45402095542276305
Energy: 0.40016040194201924
Energy: 0.4540209554223781
Energy: 0.4001604019424042
Energy: 0.45402095542276305
Energy: 0.4468694552214106
Energy: 0.378269808129041
Energy: 0.4468694552214106
Energy: 0.378269808129041
Energy: 0.44686945522102556
Energy: 0.378269808129041
Energy: 0.45009593396718794
Energy: 0.4391701987606826
Energy: 0.45009593396718794
Energy: 0.4391701987606826
Energy: 0.45009593396718794
Energy: 0.4391701987610675
Energy: 0.4169183121632744
Energy: 0.42368255260357207
Energy: 0.4169183121632744
Energy: 0.42368255260357207
Energy: 0.4169183121621196
Energy: 0.42368255260357207
Energy: 0.38911187527085167
Energy: 0.47317271977620184
Energy: 0.3891118752700818
Energy: 0.47317271977620184
Energy: 0.38911187527085167
Energy: 0.47317271977620184
Energy: 0.4270403299524289
Energy: 0.3920123638286314
Energy: 0.4270403299508892
Energy: 0.3920123638286314
Energy: 0.4270403299512741
Energy: 0.3920123638282465
Energy: 0.4012876257588608
Energy: 0.40893163457331716
Energy: 0.401287625757321
Energy: 0.40893163457293225
Energy: 0.4012876257588608
Energy: 0.40893163457331716
Energy: 0.3916718620722684
Energy: 0.4599575352841191
Energy: 0.3916718620718834
Energy: 0.4599575352841191
Energy: 0.3916718620714985
Energy: 0.4599575352833492
Energy: 0.40136164925696327
Energy: 0.4221119858562636
Energy: 0.40136164925657836
Energy: 0.4221119858562636
Energy: 0.40136164925850304
Energy: 0.42211198585664855
Energy: 0.4489654859587038
Energy: 0.46476789882520575
Energy: 0.4489654859587038
Energy: 0.4647678988255907
Energy: 0.4489654859583188
Energy: 0.46476789882328107
Energy: 0.4491626326262464
Energy: 0.43089486500625107
Energy: 0.44916263262547645
Energy: 0.43089486500625107
Energy: 0.4491626326258614
Energy: 0.43089486500625107
Energy: 0.40368495585136516
Energy: 0.44161387730155865
Energy: 0.40368495585252
Energy: 0.44161387730155865
Energy: 0.40368495585213504
Energy: 0.44161387730155865
Energy: 0.475679476174748
Energy: 0.44288634069362626
Energy: 0.475679476174748
Energy: 0.44288634069362626
Energy: 0.47567947617513295
Energy: 0.44288634069324134
Energy: 0.4216890744308058
Energy: 0.3783769789715419
Energy: 0.4216890744315757
Energy: 0.37837697897000216
Energy: 0.4216890744308058
Energy: 0.3783769789703871
Energy: 0.46003446614846877
Energy: 0.451899283143888
Energy: 0.46003446614731397
Energy: 0.451899283143888
Energy: 0.4600344661476989
Energy: 0.451899283143888
Energy: 0.4138165699190295
Energy: 0.4062998982560179
Energy: 0.4138165699186445
Energy: 0.4062998982564029
Energy: 0.4138165699190295
Energy: 0.406299898255633
Energy: 0.39225775916395644
Energy: 0.4068553030802973
Energy: 0.3922577591643414
Energy: 0.40685530308068224
Energy: 0.3922577591643414
Energy: 0.4068553030802973
Energy: 0.48470757680846954
Energy: 0.36461671107964133
Energy: 0.48470757680846954
Energy: 0.3646167110792564
Energy: 0.48470757680808463
Energy: 0.36461671107964133
Energy: 0.40027632684224096
Energy: 0.4034767357972692
Energy: 0.40027632684301084
Energy: 0.4034767357972692
Energy: 0.40027632684224096
Energy: 0.4034767357972692

minimum gb energy = 0.36095130081518906 eV
minimum distance =  2.66790462239835 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.5131523328602168
Energy: 0.42277893622414886
Energy: 0.5131523328602168
Energy: 0.42277893622414886
Energy: 0.5131523328602168
Energy: 0.42277893622414886
Energy: 0.44006405372595836
Energy: 0.4662490808714596
Energy: 0.44006405372595836
Energy: 0.4662490808714596
Energy: 0.44006405372595836
Energy: 0.4662490808714596
Energy: 0.5565266468164571
Energy: 0.4681093428649776
Energy: 0.5565266468164571
Energy: 0.4681093428660286
Energy: 0.5565266468164571
Energy: 0.4681093428660286
Energy: 0.4772630018702237
Energy: 0.5347241536339864
Energy: 0.4772630018702237
Energy: 0.5347241536339864
Energy: 0.4772630018702237
Energy: 0.5347241536339864
Energy: 0.4854158203979972
Energy: 0.4696403459261699
Energy: 0.48541582039694614
Energy: 0.4696403459261699
Energy: 0.4854158203979972
Energy: 0.4696403459261699
Energy: 0.5200009892504611
Energy: 0.48726674016950033
Energy: 0.5200009892483591
Energy: 0.48726674017265337
Energy: 0.5200009892494101
Energy: 0.48726674016950033
Energy: 0.4504719219755869
Energy: 0.48853580882421954
Energy: 0.4504719219755869
Energy: 0.4885358088252706
Energy: 0.4504719219755869
Energy: 0.48853580882421954
Energy: 0.4691398362380054
Energy: 0.511322081789372
Energy: 0.4691398362380054
Energy: 0.5113220817904229
Energy: 0.4691398362369545
Energy: 0.511322081789372
Energy: 0.45543899910076935
Energy: 0.4483779245828324
Energy: 0.4554389991018203
Energy: 0.4483779245828324
Energy: 0.4554389991018203
Energy: 0.4483779245828324
Energy: 0.5133326731187913
Energy: 0.42464102559169087
Energy: 0.5133326731187913
Energy: 0.42464102559169087
Energy: 0.5133326731187913
Energy: 0.42464102559169087
Energy: 0.44178279812441607
Energy: 0.46820837972460577
Energy: 0.44178279812441607
Energy: 0.46820837972460577
Energy: 0.44178279812441607
Energy: 0.46820837972460577
Energy: 0.4796297747059987
Energy: 0.4661332200544039
Energy: 0.4796297747059987
Energy: 0.4661332200544039
Energy: 0.4796297747059987
Energy: 0.4661332200544039
Energy: 0.530619341193634
Energy: 0.5379178619543451
Energy: 0.530619341193634
Energy: 0.5379178619543451
Energy: 0.530619341193634
Energy: 0.5379178619543451
Energy: 0.536823352762993
Energy: 0.4704492328797788
Energy: 0.5368233527640439
Energy: 0.4704492328797788
Energy: 0.5368233527640439
Energy: 0.4704492328797788

minimum gb energy = 0.42277893622414886 eV
minimum distance =  2.64831040936983 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.5684088729252122
Energy: 0.5098895656050474
Energy: 0.5684088729252122
Energy: 0.5098895656050474
Energy: 0.568408872925674
Energy: 0.5098895656050474
Energy: 0.467401819067095
Energy: 0.531095529579522
Energy: 0.467401819067095
Energy: 0.5310955295790605
Energy: 0.467401819067095
Energy: 0.5310955295790605
Energy: 0.5219880805229019
Energy: 0.533928419121827
Energy: 0.5219880805238253
Energy: 0.533928419121827
Energy: 0.5219880805224402
Energy: 0.533928419121827
Energy: 0.5283472701552241
Energy: 0.4799230913099014
Energy: 0.5283472701556858
Energy: 0.4799230913099014
Energy: 0.5283472701547625
Energy: 0.4799230913099014
Energy: 0.5292726017001808
Energy: 0.5305360351869826
Energy: 0.529272601699719
Energy: 0.5305360351869826
Energy: 0.5292726016992573
Energy: 0.5305360351869826
Energy: 0.4980047644190997
Energy: 0.528584162212364
Energy: 0.4980047644190997
Energy: 0.5285841622128258
Energy: 0.4980047644204848
Energy: 0.528584162212364
Energy: 0.5398214062716556
Energy: 0.49528125529764994
Energy: 0.5398214062721174
Energy: 0.49528125529764994
Energy: 0.5398214062716556
Energy: 0.49528125529764994
Energy: 0.5144355546393813
Energy: 0.5095515233687695
Energy: 0.5144355546389197
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Energy: 0.5144355546389197
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Energy: 0.5062404815874606
Energy: 0.5106980688153199
Energy: 0.5062404815874606
Energy: 0.5106980688157815
Energy: 0.5062404815879223
Energy: 0.5106980688157815
Energy: 0.5271544600310047
Energy: 0.511443900760044
Energy: 0.5271544600305429
Energy: 0.511443900760044
Energy: 0.5271544600305429
Energy: 0.5114439007595822
Energy: 0.48565205547126955
Energy: 0.537684505428984
Energy: 0.4856520554717313
Energy: 0.537684505428984
Energy: 0.4856520554717313
Energy: 0.537684505428984
Energy: 0.5211986256343742
Energy: 0.542999416620297
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Energy: 0.542999416620297
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Energy: 0.5429994166198354
Energy: 0.5326560293150325
Energy: 0.5100014406345543
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Energy: 0.4820297573734804
Energy: 0.5447156606297222
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Energy: 0.4684692776964781
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Energy: 0.5430084481354169
Energy: 0.49505661878587676
Energy: 0.5430084481358785
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Energy: 0.5262170013860284
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Energy: 0.5570414525840773
Energy: 0.5608651768368764
Energy: 0.5570414525845392
Energy: 0.5608651768364147
Energy: 0.5570414525840773
Energy: 0.49724470799474096
Energy: 0.48573520855549857
Energy: 0.49724470799427917
Energy: 0.4857352085559603
Energy: 0.49724470799474096
Energy: 0.4857352085559603
Energy: 0.5032927020918141
Energy: 0.5432594546543694
Energy: 0.5032927020922757
Energy: 0.5432594546543694
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Energy: 0.47520974704964974
Energy: 0.48984615634400247
Energy: 0.4752097470487263
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Energy: 0.47520974705011143
Energy: 0.48984615634400247
Energy: 0.5569601236741246
Energy: 0.510068365969136
Energy: 0.5569601236736629
Energy: 0.510068365969136
Energy: 0.5569601236736629
Energy: 0.5100683659695977
Energy: 0.5090406655852426
Energy: 0.5314126150515306
Energy: 0.5090406655843192
Energy: 0.5314126150515306
Energy: 0.5090406655847809
Energy: 0.5314126150519922
Energy: 0.5408592386087857
Energy: 0.5293446717828619
Energy: 0.5408592386087857
Energy: 0.5293446717828619
Energy: 0.5408592386092475
Energy: 0.5293446717828619
Energy: 0.520962806503561
Energy: 0.5032818525600297
Energy: 0.520962806503561
Energy: 0.5032818525600297
Energy: 0.520962806503561
Energy: 0.5032818525595679
Energy: 0.4873017114978916
Energy: 0.5416905456254979
Energy: 0.4873017114978916
Energy: 0.5416905456254979
Energy: 0.4873017114978916
Energy: 0.5416905456254979
Energy: 0.5081732258088616
Energy: 0.5128586992028992
Energy: 0.5081732258084
Energy: 0.5128586992042843
Energy: 0.5081732258084
Energy: 0.5128586992015141
Energy: 0.5375008750490139
Energy: 0.5055085475112603
Energy: 0.5375008750494756
Energy: 0.5055085475112603
Energy: 0.5375008750490139
Energy: 0.5055085475117219
Energy: 0.4846151164669925
Energy: 0.5455427691302613
Energy: 0.48461511646653077
Energy: 0.5455427691302613
Energy: 0.4846151164669925
Energy: 0.5455427691297997
Energy: 0.4852811358221315
Energy: 0.47337360055282607
Energy: 0.4852811358212082
Energy: 0.4733736005523644
Energy: 0.4852811358221315
Energy: 0.4733736005523644
Energy: 0.5245878836929486
Energy: 0.5377546474785847
Energy: 0.5245878836929486
Energy: 0.5377546474781232
Energy: 0.5245878836929486
Energy: 0.5377546474785847

minimum gb energy = 0.467401819067095 eV
minimum distance =  2.59327026707942 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.49247857699443026
Energy: 0.4445209643235466
Energy: 0.49247857699443026
Energy: 0.4445209643235466
Energy: 0.49247857699525194
Energy: 0.4445209643235466
Energy: 0.5219004512234505
Energy: 0.5366268027440486
Energy: 0.5219004512226288
Energy: 0.5366268027456917
Energy: 0.5219004512234505
Energy: 0.5366268027440486
Energy: 0.5269498772603273
Energy: 0.5224679807065344
Energy: 0.5269498772603273
Energy: 0.5224679807065344
Energy: 0.5269498772603273
Energy: 0.5224679807065344
Energy: 0.4997385724727845
Energy: 0.5867881936207036
Energy: 0.4997385724727845
Energy: 0.5867881936207036
Energy: 0.4997385724727845
Energy: 0.586788193619882
Energy: 0.5269380669501589
Energy: 0.5225420788808535
Energy: 0.5269380669493373
Energy: 0.5225420788800319
Energy: 0.5269380669501589
Energy: 0.5225420788800319
Energy: 0.5218300265746072
Energy: 0.5132434385321661
Energy: 0.5218300265746072
Energy: 0.5132434385321661
Energy: 0.5218300265746072
Energy: 0.5132434385321661
Energy: 0.49247857699525194
Energy: 0.44452096432272503
Energy: 0.49247857699525194
Energy: 0.44452096432272503
Energy: 0.49247857699525194
Energy: 0.44452096432272503
Energy: 0.5219004512242722
Energy: 0.5366268027440486
Energy: 0.5219004512234505
Energy: 0.5366268027448702
Energy: 0.5219004512242722
Energy: 0.5366268027448702
Energy: 0.5269498772611488
Energy: 0.5224679807057129
Energy: 0.5269498772611488
Energy: 0.5224679807057129
Energy: 0.5269498772611488
Energy: 0.5224679807057129
Energy: 0.4997385724744278
Energy: 0.5303968304441737
Energy: 0.49973857247360615
Energy: 0.5303968304441737
Energy: 0.49973857247360615
Energy: 0.5303968304441737
Energy: 0.5269380669493373
Energy: 0.5225420788833183
Energy: 0.5269380669493373
Energy: 0.5225420788824967
Energy: 0.5269380669493373
Energy: 0.5225420788824967
Energy: 0.5218300265746072
Energy: 0.47404446725640803
Energy: 0.5218300265746072
Energy: 0.47404446725640803
Energy: 0.5218300265746072
Energy: 0.474044467257211
Energy: 0.49247857699525194
Energy: 0.4445209643235466
Energy: 0.49247857699525194
Energy: 0.4445209643235466
Energy: 0.49247857699525194
Energy: 0.4445209643235466
Energy: 0.5219004512226288
Energy: 0.5366268027456917
Energy: 0.5219004512226288
Energy: 0.5366268027440486
Energy: 0.5219004512234505
Energy: 0.5366268027448702
Energy: 0.5269498772611488
Energy: 0.5224679807065344
Energy: 0.5269498772603273
Energy: 0.5224679807065344
Energy: 0.5269498772603273
Energy: 0.5224679807065344
Energy: 0.49973857247360615
Energy: 0.4633378655037765
Energy: 0.49973857247360615
Energy: 0.4633378655037765
Energy: 0.49973857247360615
Energy: 0.4633378655037765
Energy: 0.5269380669476941
Energy: 0.5225420788808535
Energy: 0.5269380669493373
Energy: 0.5225420788808535
Energy: 0.5269380669485157
Energy: 0.5225420788808535

minimum gb energy = 0.44452096432272503 eV
minimum distance =  2.63628002783632 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.5082899350929733
Energy: 0.5542514086987249
Energy: 0.5082899350936442
Energy: 0.5542514086980539
Energy: 0.5082899350929733
Energy: 0.5542514086987249
Energy: 0.5415637948284704
Energy: 0.5415443386946733
Energy: 0.5415637948277995
Energy: 0.5415443386946733
Energy: 0.5415637948284704
Energy: 0.5415443386946733
Energy: 0.5223508884851192
Energy: 0.5066594675330306
Energy: 0.5223508884864609
Energy: 0.5066594675330306
Energy: 0.52235088848579
Energy: 0.5066594675330306
Energy: 0.4930572054203303
Energy: 0.572457500721906
Energy: 0.4930572054210012
Energy: 0.5724575007225768
Energy: 0.4930572054223429
Energy: 0.572457500721906
Energy: 0.503307424338581
Energy: 0.5445893925227535
Energy: 0.5033074243399227
Energy: 0.5445893925227535
Energy: 0.503307424338581
Energy: 0.5445893925227535
Energy: 0.5657667864535564
Energy: 0.5121454834504987
Energy: 0.5657667864535564
Energy: 0.5121454834511695
Energy: 0.5657667864542272
Energy: 0.5121454834504987
Energy: 0.4934463420150614
Energy: 0.5143875546581607
Energy: 0.4934463420143905
Energy: 0.5143875546574898
Energy: 0.4934463420137197
Energy: 0.5143875546574898
Energy: 0.5559515348868997
Energy: 0.514990927841486
Energy: 0.5559515348875707
Energy: 0.514990927841486
Energy: 0.5559515348868997
Energy: 0.514990927841486
Energy: 0.6099259441361709
Energy: 0.5147009101833212
Energy: 0.6099259441361709
Energy: 0.5147009101833212
Energy: 0.6099259441355
Energy: 0.514700910183992
Energy: 0.4931671362200136
Energy: 0.5233910098634305
Energy: 0.4931671362200136
Energy: 0.5233910098634305
Energy: 0.4931671362200136
Energy: 0.5233910098634305
Energy: 0.5119977015173104
Energy: 0.5229479958367064
Energy: 0.5119977015179812
Energy: 0.5229479958367064
Energy: 0.5119977015179812
Energy: 0.5229479958367064
Energy: 0.5398999012768705
Energy: 0.5006128234205877
Energy: 0.5398999012741871
Energy: 0.5006128234205877
Energy: 0.5398999012755288
Energy: 0.5006128234205877
Energy: 0.49786349369162225
Energy: 0.5551375857610055
Energy: 0.49786349369229305
Energy: 0.5551375857610055
Energy: 0.4978634936929639
Energy: 0.5551375857610055
Energy: 0.5043738641620364
Energy: 0.5336187001647056
Energy: 0.5043738641620364
Energy: 0.5336187001647056
Energy: 0.5043738641627072
Energy: 0.5336187001647056
Energy: 0.5184932438624013
Energy: 0.5125871467675251
Energy: 0.5184932438617305
Energy: 0.5125871467675251
Energy: 0.5184932438624013
Energy: 0.5125871467675251
Energy: 0.510409361846122
Energy: 0.5442657037361651
Energy: 0.5104093618454512
Energy: 0.5442657037348233
Energy: 0.510409361846122
Energy: 0.5442657037348233
Energy: 0.5468388230933345
Energy: 0.5446708679898464
Energy: 0.5468388230933345
Energy: 0.5446708679898464
Energy: 0.5468388230926637
Energy: 0.5446708679898464
Energy: 0.5716070898084991
Energy: 0.518914647875794
Energy: 0.5716070898078282
Energy: 0.518914647875794
Energy: 0.5716070898078282
Energy: 0.518914647875794
Energy: 0.5022871781559832
Energy: 0.5330178649090079
Energy: 0.5022871781573249
Energy: 0.5330178649090079
Energy: 0.5022871781566541
Energy: 0.5330178649096787
Energy: 0.5328196355881633
Energy: 0.5311854749786697
Energy: 0.5328196355874923
Energy: 0.5311854749779988
Energy: 0.5328196355874923
Energy: 0.5311854749779988
Energy: 0.5407491253719238
Energy: 0.5004065486497489
Energy: 0.5407491253719238
Energy: 0.5004065486490781
Energy: 0.5407491253719238
Energy: 0.5004065486490781

minimum gb energy = 0.4930572054203303 eV
minimum distance =  2.62526653428226 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.5017839378838839
Energy: 0.5491821565035379
Energy: 0.5017839378838839
Energy: 0.5491821565029723
Energy: 0.5017839378833183
Energy: 0.5491821565035379
Energy: 0.543269291563136
Energy: 0.5229954265797798
Energy: 0.5432692915620052
Energy: 0.5229954265797798
Energy: 0.5432692915625704
Energy: 0.5229954265797798
Energy: 0.5321520908425706
Energy: 0.46622787307233676
Energy: 0.5321520908425706
Energy: 0.46622787307233676
Energy: 0.5321520908425706
Energy: 0.46622787307233676
Energy: 0.4521734488144563
Energy: 0.4842830283224816
Energy: 0.4521734488144563
Energy: 0.4842830283219161
Energy: 0.4521734488138908
Energy: 0.4842830283219161
Energy: 0.48015673325657837
Energy: 0.5235363998641107
Energy: 0.48015673325657837
Energy: 0.5235363998641107
Energy: 0.4801567332571438
Energy: 0.5235363998641107
Energy: 0.5550864389253776
Energy: 0.49733089053745844
Energy: 0.5550864389253776
Energy: 0.49733089053689294
Energy: 0.5550864389253776
Energy: 0.49733089053689294
Energy: 0.5222250100242903
Energy: 0.5480848673152526
Energy: 0.522225010023725
Energy: 0.5480848673152526
Energy: 0.522225010023725
Energy: 0.5480848673152526
Energy: 0.49123327414752693
Energy: 0.5332389208868709
Energy: 0.4912332741480924
Energy: 0.5332389208874363
Energy: 0.49123327414752693
Energy: 0.5332389208874363
Energy: 0.513860511675624
Energy: 0.45470510258910746
Energy: 0.513860511675624
Energy: 0.45470510258910746
Energy: 0.513860511675624
Energy: 0.45470510258910746
Energy: 0.5083819505845406
Energy: 0.5572014015676143
Energy: 0.5083819505845406
Energy: 0.5572014015676143
Energy: 0.5083819505839752
Energy: 0.5572014015676143
Energy: 0.5008540862569506
Energy: 0.5513492518679787
Energy: 0.5008540862592123
Energy: 0.5513492518674132
Energy: 0.5008540862626053
Energy: 0.5513492518674132
Energy: 0.5434618992207794
Energy: 0.46530386072970537
Energy: 0.5434618992207794
Energy: 0.46530386072970537
Energy: 0.5434618992207794
Energy: 0.46530386072970537
Energy: 0.5288783833632338
Energy: 0.4927649573495433
Energy: 0.5288783833626683
Energy: 0.4927649573495433
Energy: 0.5288783833632338
Energy: 0.4927649573495433
Energy: 0.4520997929409065
Energy: 0.5179270358100764
Energy: 0.4520997929403411
Energy: 0.5179270358100764
Energy: 0.4520997929409065
Energy: 0.5179270358100764
Energy: 0.5545830587996565
Energy: 0.49710221345227207
Energy: 0.5545830588007875
Energy: 0.49710221345227207
Energy: 0.5545830588002221
Energy: 0.49710221345227207
Energy: 0.5224183781779018
Energy: 0.4997302556701328
Energy: 0.5224183781790328
Energy: 0.4997302556701328
Energy: 0.5224183781779018
Energy: 0.4997302556695673
Energy: 0.46509312543761566
Energy: 0.5336536160316989
Energy: 0.46509312543761566
Energy: 0.5336536160316989
Energy: 0.46509312543761566
Energy: 0.5336536160316989
Energy: 0.4861806018615827
Energy: 0.46655873483656235
Energy: 0.4861806018621481
Energy: 0.46655873483656235
Energy: 0.4861806018621481
Energy: 0.46655873483656235
Energy: 0.4848102992776991
Energy: 0.4796495576382324
Energy: 0.48481029927656816
Energy: 0.4796495576382324
Energy: 0.4848102992776991
Energy: 0.47964955763879785
Energy: 0.5017839378821873
Energy: 0.5491821565018413
Energy: 0.5017839378816219
Energy: 0.5491821565024069
Energy: 0.5017839378816219
Energy: 0.5491821565024069
Energy: 0.5432692915620052
Energy: 0.5229954265797798
Energy: 0.5432692915620052
Energy: 0.5229954265803453
Energy: 0.543269291563136
Energy: 0.5229954265803453
Energy: 0.5321520908442671
Energy: 0.46622787307177127
Energy: 0.5321520908442671
Energy: 0.46622787307177127
Energy: 0.5321520908442671
Energy: 0.46622787307233676
Energy: 0.4521734488144563
Energy: 0.4842830283213506
Energy: 0.4521734488150218
Energy: 0.4842830283213506
Energy: 0.4521734488144563
Energy: 0.4842830283213506
Energy: 0.48015673325770925
Energy: 0.5235363998641107
Energy: 0.4801567332571438
Energy: 0.5235363998641107
Energy: 0.48015673325770925
Energy: 0.5235363998646761
Energy: 0.5550864389253776
Energy: 0.49733089053293467
Energy: 0.555086438924812
Energy: 0.49733089053350016
Energy: 0.5550864389253776
Energy: 0.49733089053293467

minimum gb energy = 0.4520997929403411 eV
minimum distance =  2.64014199123746 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.4608018720877198
Energy: 0.5465334810079173
Energy: 0.4608018720877198
Energy: 0.5465334810079173
Energy: 0.4608018720877198
Energy: 0.5465334810079173
Energy: 0.553415378951482
Energy: 0.5102206782644735
Energy: 0.5534153789509938
Energy: 0.5102206782644735
Energy: 0.553415378951482
Energy: 0.5102206782639853
Energy: 0.5860838480990109
Energy: 0.4516925161933876
Energy: 0.5860838480990109
Energy: 0.4516925161933876
Energy: 0.5860838480990109
Energy: 0.4516925161933876
Energy: 0.44917361261783145
Energy: 0.5371854395543517
Energy: 0.4491736126173434
Energy: 0.5371854395543517
Energy: 0.44917361261783145
Energy: 0.5371854395543517
Energy: 0.4955743329093223
Energy: 0.5187995492146191
Energy: 0.49557433290981034
Energy: 0.5187995492146191
Energy: 0.4955743329093223
Energy: 0.5187995492146191
Energy: 0.5393285488258167
Energy: 0.44807489774439163
Energy: 0.5393285488253287
Energy: 0.44807489774439163
Energy: 0.5393285488258167
Energy: 0.44807489774439163
Energy: 0.4631817150521722
Energy: 0.5926388037583427
Energy: 0.4631817150516841
Energy: 0.5926388037588308
Energy: 0.4631817150521722
Energy: 0.5926388037583427
Energy: 0.4810391081963566
Energy: 0.5863722592971984
Energy: 0.4810391081963566
Energy: 0.5863722592971984
Energy: 0.4810391081963566
Energy: 0.5863722592971984
Energy: 0.5598734336393089
Energy: 0.4408027823730081
Energy: 0.5598734336402851
Energy: 0.4408027823730081
Energy: 0.559873433639797
Energy: 0.4408027823730081
Energy: 0.5181368052333778
Energy: 0.5139039665129188
Energy: 0.5181368052328896
Energy: 0.513903966513407
Energy: 0.5181368052333778
Energy: 0.5139039665129188
Energy: 0.4419748100124851
Energy: 0.586414476120506
Energy: 0.4419748100124851
Energy: 0.5864144761209941
Energy: 0.4419748100124851
Energy: 0.5864144761209941
Energy: 0.5577607124033528
Energy: 0.4527726361106467
Energy: 0.5577607124033528
Energy: 0.4527726361106467
Energy: 0.5577607124043291
Energy: 0.4527726361106467
Energy: 0.522594276471285
Energy: 0.5005400229089613
Energy: 0.5225942764722612
Energy: 0.5005400229084731
Energy: 0.5225942764751899
Energy: 0.5005400229089613
Energy: 0.44712733405592475
Energy: 0.5420632101443971
Energy: 0.44712733405592475
Energy: 0.5420632101443971
Energy: 0.44712733405592475
Energy: 0.5420632101443971
Energy: 0.5091808064292062
Energy: 0.44556173161894347
Energy: 0.5091808064287181
Energy: 0.44556173161894347
Energy: 0.5091808064292062
Energy: 0.44556173161894347
Energy: 0.5840403151997184
Energy: 0.4412012344991133
Energy: 0.5840403151997184
Energy: 0.4412012344991133
Energy: 0.5840403151997184
Energy: 0.4412012344991133
Energy: 0.4547820435541635
Energy: 0.527258156641449
Energy: 0.4547820435541635
Energy: 0.527258156640961
Energy: 0.4547820435546516
Energy: 0.527258156640961
Energy: 0.4973557755114709
Energy: 0.5367940768836733
Energy: 0.4973557755114709
Energy: 0.5367940768861139
Energy: 0.4973557755114709
Energy: 0.5367940768836733
Energy: 0.5395778715880107
Energy: 0.4475792657222184
Energy: 0.5395778715875226
Energy: 0.4475792657222184
Energy: 0.5395778715875226
Energy: 0.4475792657222184
Energy: 0.45420276433878937
Energy: 0.5174521873718249
Energy: 0.45420276433878937
Energy: 0.5174521873718249
Energy: 0.4542027643383013
Energy: 0.517452187372313
Energy: 0.4480669044830685
Energy: 0.5867461671165599
Energy: 0.4480669044830685
Energy: 0.5867461671165599
Energy: 0.4480669044835566
Energy: 0.5867461671165599
Energy: 0.5767473075906713
Energy: 0.4515783349744039
Energy: 0.5767473075906713
Energy: 0.4515783349744039
Energy: 0.5767473075911593
Energy: 0.4515783349744039
Energy: 0.5231941361541714
Energy: 0.4946497650742179
Energy: 0.5231941361541714
Energy: 0.4946497650742179
Energy: 0.5231941361536834
Energy: 0.4946497650742179
Energy: 0.46150311428432544
Energy: 0.5467848309944996
Energy: 0.46150311428432544
Energy: 0.5467848309944996
Energy: 0.46150311428481355
Energy: 0.5467848309940114
Energy: 0.5149689337496931
Energy: 0.451564748610943
Energy: 0.5149689337487169
Energy: 0.451564748610943
Energy: 0.5149689337492049
Energy: 0.451564748610943
Energy: 0.5198290524939667
Energy: 0.45033687002064016
Energy: 0.5198290524944549
Energy: 0.45033687002015205
Energy: 0.5198290524944549
Energy: 0.45033687002064016
Energy: 0.44226161726676044
Energy: 0.5286790446934206
Energy: 0.44226161726676044
Energy: 0.5286790446939088
Energy: 0.44226161726676044
Energy: 0.5286790446934206
Energy: 0.5433215225213333
Energy: 0.4476924941936895
Energy: 0.5433215225223095
Energy: 0.4476924941936895
Energy: 0.5433215225223095
Energy: 0.4476924941936895
Energy: 0.5270231195173808
Energy: 0.44760375503394917
Energy: 0.5270231195168926
Energy: 0.44760375503394917
Energy: 0.5270231195173808
Energy: 0.44760375503394917

minimum gb energy = 0.4408027823730081 eV
minimum distance =  2.63174212414568 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.4407601023567398
Energy: 0.5506141443356493
Energy: 0.4407601023567398
Energy: 0.5506141443352202
Energy: 0.4407601023571689
Energy: 0.5506141443352202
Energy: 0.5451678103756417
Energy: 0.4759690942030174
Energy: 0.5451678103756417
Energy: 0.47596909420344646
Energy: 0.5451678103760708
Energy: 0.4759690942030174
Energy: 0.5392262223395288
Energy: 0.4301552645738364
Energy: 0.5392262223395288
Energy: 0.4301552645738364
Energy: 0.5392262223390998
Energy: 0.4301552645738364
Energy: 0.42382961992702944
Energy: 0.604279620723153
Energy: 0.4238296199266004
Energy: 0.604279620723153
Energy: 0.4238296199266004
Energy: 0.604279620723153
Energy: 0.429949789341808
Energy: 0.5028111161371949
Energy: 0.4299497893430952
Energy: 0.502811116137624
Energy: 0.42994978934266614
Energy: 0.5028111161371949
Energy: 0.5350975571870551
Energy: 0.42391273107329025
Energy: 0.5350975571874841
Energy: 0.42391273107329025
Energy: 0.5350975571870551
Energy: 0.42391273107329025
Energy: 0.4335834902712945
Energy: 0.539898759804808
Energy: 0.4335834902708654
Energy: 0.5398987598039497
Energy: 0.4335834902712945
Energy: 0.5398987598060951
Energy: 0.42937247322122774
Energy: 0.5510559464390274
Energy: 0.4293724732207988
Energy: 0.5510559464398856
Energy: 0.4293724732207988
Energy: 0.5510559464403147
Energy: 0.535120737373965
Energy: 0.4247995019577149
Energy: 0.5351207373743941
Energy: 0.4247995019577149
Energy: 0.5351207373743941
Energy: 0.4247995019577149
Energy: 0.43411775072146563
Energy: 0.5064621690834779
Energy: 0.4341177507206075
Energy: 0.5468198930867469
Energy: 0.43411775071846215
Energy: 0.517596010812911
Energy: 0.42265671329781174
Energy: 0.5958532813066122
Energy: 0.42265671329781174
Energy: 0.5958532813061832
Energy: 0.42265671329738264
Energy: 0.5958532813066122
Energy: 0.6114876562002837
Energy: 0.4655805914598303
Energy: 0.6114876561998546
Energy: 0.4655805914598303
Energy: 0.6114876562002837
Energy: 0.4655805914598303
Energy: 0.543704927984283
Energy: 0.4301736605320093
Energy: 0.543704927984283
Energy: 0.4301736605320093
Energy: 0.543704927984283
Energy: 0.4301736605324384
Energy: 0.4437482280833917
Energy: 0.5734167024601129
Energy: 0.4437482280833917
Energy: 0.5734167024601129
Energy: 0.4437482280833917
Energy: 0.5734167024605421
Energy: 0.44200572134337923
Energy: 0.4659464042988975
Energy: 0.4420057213442374
Energy: 0.4659464042988975
Energy: 0.4420057213429502
Energy: 0.4659464042988975
Energy: 0.541182935884995
Energy: 0.431800215880166
Energy: 0.5411829358854241
Energy: 0.431800215880166
Energy: 0.5411829358854241
Energy: 0.431800215880166
Energy: 0.4226186683284123
Energy: 0.6052753651837174
Energy: 0.4226186683284123
Energy: 0.6052753651837174
Energy: 0.4226186683284123
Energy: 0.6052753651832884
Energy: 0.42020817556575707
Energy: 0.5020339887949463
Energy: 0.4202081755666152
Energy: 0.5020339887940881
Energy: 0.42020817556575707
Energy: 0.5020339887953753
Energy: 0.5343797699893099
Energy: 0.4246681466342658
Energy: 0.534379769989739
Energy: 0.4246681466342658
Energy: 0.5343797699893099
Energy: 0.4246681466342658
Energy: 0.4339586950633975
Energy: 0.5062219494517584
Energy: 0.4339586950651137
Energy: 0.5062219494530455
Energy: 0.4339586950621102
Energy: 0.5062219494517584
Energy: 0.4310602960141051
Energy: 0.6035500929858427
Energy: 0.431060296013676
Energy: 0.6035500929854137
Energy: 0.4310602960141051
Energy: 0.6035500929858427
Energy: 0.6009387329210996
Energy: 0.42382086978324507
Energy: 0.6009387329206705
Energy: 0.42382086978324507
Energy: 0.6009387329210996
Energy: 0.42382086978324507
Energy: 0.5456908250690505
Energy: 0.4240225472010104
Energy: 0.5456908250686215
Energy: 0.4240225472005813
Energy: 0.5456908250690505
Energy: 0.4240225472005813
Energy: 0.4238727036323478
Energy: 0.5383363551038379
Energy: 0.4238727036327768
Energy: 0.5383363551034088
Energy: 0.4238727036323478
Energy: 0.5383363551034088
Energy: 0.4579312115651127
Energy: 0.438018527559615
Energy: 0.4579312115599638
Energy: 0.438018527559615
Energy: 0.4579312115694034
Energy: 0.438018527559615
Energy: 0.5432941718708115
Energy: 0.4317356183855237
Energy: 0.5432941718708115
Energy: 0.4317356183855237
Energy: 0.5432941718708115
Energy: 0.4317356183855237
Energy: 0.4409025845724946
Energy: 0.5724323530250808
Energy: 0.4409025845729237
Energy: 0.5724323530250808
Energy: 0.4409025845729237
Energy: 0.5724323530250808
Energy: 0.4410751771873553
Energy: 0.49756941144834005
Energy: 0.4410751771877844
Energy: 0.4975694114496272
Energy: 0.44107517718692624
Energy: 0.4975694114487691
Energy: 0.5382179583678312
Energy: 0.4300597314951295
Energy: 0.5382179583686894
Energy: 0.4300597314951295
Energy: 0.5382179583686894
Energy: 0.4300597314951295
Energy: 0.42020322737668664
Energy: 0.45581766000118656
Energy: 0.42020322737625754
Energy: 0.4558176600024737
Energy: 0.42020322737625754
Energy: 0.45581765999989926
Energy: 0.42260691805712264
Energy: 0.5372169339257353
Energy: 0.42260691805712264
Energy: 0.5372169339257353
Energy: 0.42260691805712264
Energy: 0.5372169339257353
Energy: 0.5601809946334839
Energy: 0.4241048399842382
Energy: 0.560180994633913
Energy: 0.42410483998466714
Energy: 0.5601809946334839
Energy: 0.42410483998466714
Energy: 0.5386224318994773
Energy: 0.42416591411180893
Energy: 0.5386224318986192
Energy: 0.42416591411180893
Energy: 0.5386224318986192
Energy: 0.42416591411180893

minimum gb energy = 0.42020322737625754 eV
minimum distance =  2.64391806642659 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.011810503042539165
Energy: 0.6174271882670905
Energy: 0.011810503042539165
Energy: 0.6174271882670905
Energy: 0.011810503042539165
Energy: 0.617427188267447
Energy: 0.013394842604347269
Energy: 0.18350259248935963
Energy: 0.013394842604347269
Energy: 0.18350259248935963
Energy: 0.013394842604683965
Energy: 0.18350259248935963
Energy: 0.18350259248935963
Energy: 0.18349985900288926
Energy: 0.18349985900288926
Energy: 0.18349985900255258
Energy: 0.18349985900255258
Energy: 0.18349985900429544
Energy: 0.013394842605733658
Energy: 0.18350259248900314
Energy: 0.013394842605377159
Energy: 0.18350259248900314
Energy: 0.013394842605377159
Energy: 0.18350259248935963

minimum gb energy = 0.011810503042539165 eV
minimum distance =  2.83249682094143 Angstroms
sigma value = 1