Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
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=4.049994595348835
cohesive_energy=3.360264143322612
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: -5.87828410947289e-10 eV

========================================
theta = 0.0
========================================

Energy: 0.010351904914354493
Energy: 0.40964157613401275
Energy: 0.010351904914604353
Energy: 0.40964157613401275
Energy: 0.010351904914604353
Energy: 0.40964157613401275
Energy: 0.4096415761342626
Energy: 0.3387751069881195
Energy: 0.4096415761342626
Energy: 0.6008926290393508
Energy: 0.40964157613401275
Energy: 0.4600257773581729
Energy: 0.010351904914604353
Energy: 0.40964157613401275
Energy: 0.010351904914604353
Energy: 0.40964157613401275
Energy: 0.010351904914604353
Energy: 0.40964157613401275
Energy: 0.4096415761342626
Energy: 0.600892629039573
Energy: 0.40964157613401275
Energy: 0.5871491548102372
Energy: 0.40964157613401275
Energy: 0.4600257773596443
Energy: 0.010351904914604353
Energy: 0.4096415761342626
Energy: 0.010351904914604353
Energy: 0.4096415761342626
Energy: 0.010351904914604353
Energy: 0.4096415761342626
Energy: 0.4096415761342626
Energy: 0.4600257773581729
Energy: 0.40964157613401275
Energy: 0.46002577735914457
Energy: 0.40964157613401275
Energy: 0.46002577735792305

minimum gb energy = 0.010351904914354493 eV
minimum distance =  2.58765356625718 Angstroms
sigma value = 1


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

Energy: 0.544085578350795
Energy: 0.5318247566016537
Energy: 0.544085578350795
Energy: 0.5318247566010523
Energy: 0.544085578350795
Energy: 0.5318247566016537
Energy: 0.6263586036297863
Energy: 0.5020387736447044
Energy: 0.6263586036297863
Energy: 0.5020387736447044
Energy: 0.6263586036297863
Energy: 0.5020387736447044
Energy: 0.5200719340929438
Energy: 0.544111268879777
Energy: 0.5200719340929438
Energy: 0.5441112688803784
Energy: 0.5200719340929438
Energy: 0.544111268879777
Energy: 0.6046653017119938
Energy: 0.5118918992875607
Energy: 0.6046653017119938
Energy: 0.5118918992875607
Energy: 0.6046653017119938
Energy: 0.5118918992875607
Energy: 0.5217203798016306
Energy: 0.556583049850027
Energy: 0.5217203798016306
Energy: 0.556583049850027
Energy: 0.5217203798016306
Energy: 0.5565830498494257
Energy: 0.5552905971968373
Energy: 0.497097643949311
Energy: 0.5552905971962359
Energy: 0.49709764394810807
Energy: 0.5552905971968373
Energy: 0.49709764394810807
Energy: 0.5095574753483698
Energy: 0.5290357623225446
Energy: 0.5095574753495727
Energy: 0.5290357623225446
Energy: 0.5095574753489713
Energy: 0.529035762323146
Energy: 0.5122280043364814
Energy: 0.5625039240928286
Energy: 0.5122280043370829
Energy: 0.5625039240940314
Energy: 0.5122280043370829
Energy: 0.5625039240934299
Energy: 0.5605332803443097
Energy: 0.543832952407684
Energy: 0.5605332803443097
Energy: 0.543832952407684
Energy: 0.5605332803443097
Energy: 0.543832952407684
Energy: 0.49233938404989147
Energy: 0.54894934840646
Energy: 0.49233938404989147
Energy: 0.5489493484058585
Energy: 0.49233938404989147
Energy: 0.5489493484052571
Energy: 0.5284883183520931
Energy: 0.4974005897501063
Energy: 0.5284883183520931
Energy: 0.4974005897501063
Energy: 0.5284883183520931
Energy: 0.4974005897501063
Energy: 0.498132811221951
Energy: 0.5914625455013813
Energy: 0.498132811221951
Energy: 0.5914625455013813
Energy: 0.498132811221951
Energy: 0.5914625455007799
Energy: 0.5853294735915382
Energy: 0.4937701769929812
Energy: 0.5853294735921396
Energy: 0.49377017699237985
Energy: 0.5853294735915382
Energy: 0.49377017699237985
Energy: 0.5099390213407733
Energy: 0.5226376017335943
Energy: 0.5099390213407733
Energy: 0.5226376017329929
Energy: 0.5099390213407733
Energy: 0.5226376017329929
Energy: 0.58320876910808
Energy: 0.4986813207701092
Energy: 0.5832087691074785
Energy: 0.4986813207701092
Energy: 0.5832087691062756
Energy: 0.4986813207701092
Energy: 0.5893321737475112
Energy: 0.5397116608671586
Energy: 0.5893321737475112
Energy: 0.53971166086776
Energy: 0.5893321737475112
Energy: 0.53971166086776
Energy: 0.5171143755102766
Energy: 0.532453161812964
Energy: 0.5171143755102766
Energy: 0.532453161812964
Energy: 0.5171143755102766
Energy: 0.5324531618135654
Energy: 0.5168047628444687
Energy: 0.5369773862094298
Energy: 0.5168047628456717
Energy: 0.5369773862094298
Energy: 0.5168047628450702
Energy: 0.5369773862094298
Energy: 0.5282161291120298
Energy: 0.5114833162239738
Energy: 0.5282161291120298
Energy: 0.5114833162239738
Energy: 0.5282161291120298
Energy: 0.5114833162233723
Energy: 0.5522393996819427
Energy: 0.49728640896211157
Energy: 0.5522393996819427
Energy: 0.49728640896211157
Energy: 0.5522393996807398
Energy: 0.49728640896211157
Energy: 0.5085123577646476
Energy: 0.6660098126817611
Energy: 0.5085123577646476
Energy: 0.6660098126817611
Energy: 0.5085123577646476
Energy: 0.6660098126817611
Energy: 0.5575269766525982
Energy: 0.5280976321514249
Energy: 0.5575269766525982
Energy: 0.5280976321514249
Energy: 0.5575269766519967
Energy: 0.5280976321514249
Energy: 0.5057150739953737
Energy: 0.5856334573562256
Energy: 0.5057150739953737
Energy: 0.5856334573562256
Energy: 0.5057150739953737
Energy: 0.5856334573562256

minimum gb energy = 0.49233938404989147 eV
minimum distance =  2.57277390486913 Angstroms
sigma value = 33


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

Energy: 0.5642633416215649
Energy: 0.5616768269552717
Energy: 0.5243192133305108
Energy: 0.5616768269542454
Energy: 0.5642633416212228
Energy: 0.5616768269535611
Energy: 0.5769073164160284
Energy: 0.5108229897283605
Energy: 0.5769073164153443
Energy: 0.5108229897283605
Energy: 0.5769073164153443
Energy: 0.5108229897283605
Energy: 0.5112705223394272
Energy: 0.5098141325371648
Energy: 0.5112705223390851
Energy: 0.5098141325357963
Energy: 0.5112705223390851
Energy: 0.5098141325361385
Energy: 0.6046761999651633
Energy: 0.5598541899246868
Energy: 0.6046761999651633
Energy: 0.5598541899250289
Energy: 0.6046761999651633
Energy: 0.5598541899246868
Energy: 0.5479224974803516
Energy: 0.5545307826972293
Energy: 0.5479224974803516
Energy: 0.5545307826968873
Energy: 0.5479224974803516
Energy: 0.5545307826975714
Energy: 0.5244413104861366
Energy: 0.5103983038293343
Energy: 0.5244413104864787
Energy: 0.5103983038293343
Energy: 0.5244413104868209
Energy: 0.5103983038293343
Energy: 0.565896056786161
Energy: 0.5245702209886837
Energy: 0.5658960567851348
Energy: 0.5245702209876574
Energy: 0.565896056786503
Energy: 0.5245702209883416
Energy: 0.4808747153399469
Energy: 0.5652420106016094
Energy: 0.4808747153399469
Energy: 0.5652420106019515
Energy: 0.48087471534028897
Energy: 0.5652420106016094
Energy: 0.5250278895112988
Energy: 0.5108080432480181
Energy: 0.5250278895112988
Energy: 0.5108080432487022
Energy: 0.5250278895116408
Energy: 0.5108080432483602
Energy: 0.49743708996442115
Energy: 0.6170958282751049
Energy: 0.4972686290018774
Energy: 0.6170958282747627
Energy: 0.497437089964079
Energy: 0.6170958282747627
Energy: 0.6259036544363576
Energy: 0.49541804351901
Energy: 0.6259036544363576
Energy: 0.49541804351901
Energy: 0.6259036544366998
Energy: 0.49541804351935204
Energy: 0.5094887021502441
Energy: 0.5515645445906293
Energy: 0.5094982407345484
Energy: 0.5515645445902871
Energy: 0.5094887021505863
Energy: 0.5515645445902871
Energy: 0.5249794649179227
Energy: 0.5160130084195536
Energy: 0.5653604732060049
Energy: 0.5160130084198956
Energy: 0.5249794649182647
Energy: 0.5160130084198956
Energy: 0.5284986584311022
Energy: 0.5635385695363047
Energy: 0.5685635079339486
Energy: 0.5635385695366468
Energy: 0.5284986584317866
Energy: 0.5635385695363047
Energy: 0.547686354740077
Energy: 0.5102416301459919
Energy: 0.5476863547404192
Energy: 0.5102416301456497
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Energy: 0.5102416301453075
Energy: 0.5136593180909618
Energy: 0.5100903844292195
Energy: 0.5136593180922991
Energy: 0.5100903844302459
Energy: 0.5136593180906197
Energy: 0.5100903844295617
Energy: 0.5813578582706147
Energy: 0.5314599015922865
Energy: 0.581357858271641
Energy: 0.5314599015926286
Energy: 0.5813578582709568
Energy: 0.5314599015922865
Energy: 0.5465891001580664
Energy: 0.5102316014283116
Energy: 0.5465891001587506
Energy: 0.5102316014283116
Energy: 0.5465891001580664
Energy: 0.5102316014283116
Energy: 0.5271033731475785
Energy: 0.5325327836368535
Energy: 0.5271033731475785
Energy: 0.5325327836368535
Energy: 0.5271033731479206
Energy: 0.5325327836375376
Energy: 0.5624684285927838
Energy: 0.526083359974171
Energy: 0.5624684285924417
Energy: 0.526083359974513
Energy: 0.5624684285924417
Energy: 0.526083359974513
Energy: 0.47933748720477676
Energy: 0.5654220663776138
Energy: 0.47933748720546093
Energy: 0.5654220663782981
Energy: 0.47933748720546093
Energy: 0.565422066377956
Energy: 0.5857930684150995
Energy: 0.5106869559739543
Energy: 0.5857930684144153
Energy: 0.5106869559739543
Energy: 0.5857930684144153
Energy: 0.5106869559739543
Energy: 0.4932881314535268
Energy: 0.6186721789337157
Energy: 0.4932895836766962
Energy: 0.6186721789347421
Energy: 0.4932881314535268
Energy: 0.6186721789344
Energy: 0.6015110030078605
Energy: 0.546994304734625
Energy: 0.6015110030078605
Energy: 0.5469943047332567
Energy: 0.6015110030082027
Energy: 0.5469943047322303
Energy: 0.5111538455417446
Energy: 0.5288814998243957
Energy: 0.5111647054592041
Energy: 0.5288814998240536
Energy: 0.5111538455417446
Energy: 0.5288814998243957
Energy: 0.5645213961309723
Energy: 0.5605802914942338
Energy: 0.5245117719691812
Energy: 0.5605802914949181
Energy: 0.5645213961313144
Energy: 0.5605802914932075
Energy: 0.5645642999152518
Energy: 0.5446153519701572
Energy: 0.5245133449727547
Energy: 0.5446153519687889
Energy: 0.5645642999149098
Energy: 0.5446153519687889
Energy: 0.5124529399996662
Energy: 0.5101546124591312
Energy: 0.5124529399996662
Energy: 0.5101546124594734
Energy: 0.5124529399996662
Energy: 0.5101546124594734
Energy: 0.6217711017973534
Energy: 0.5106891841821729
Energy: 0.6217711017976955
Energy: 0.5106891841821729
Energy: 0.6217711017980376
Energy: 0.5106891841821729
Energy: 0.49340737449496946
Energy: 0.6282452540188717
Energy: 0.49340737449496946
Energy: 0.6282452540195559
Energy: 0.49340737449496946
Energy: 0.6282452540188717
Energy: 0.5462384714750806
Energy: 0.5108783572907022
Energy: 0.5462384714754227
Energy: 0.5108783572907022
Energy: 0.5462384714754227
Energy: 0.5108783572907022
Energy: 0.5152597756353127
Energy: 0.5253179073004337
Energy: 0.5152597756353127
Energy: 0.5253179073000915
Energy: 0.5152597756353127
Energy: 0.5253179073011178
Energy: 0.5624720705257057
Energy: 0.5261229545487279
Energy: 0.5624720705260478
Energy: 0.5261229545483859
Energy: 0.5624720705263898
Energy: 0.5261229545480436
Energy: 0.5109641011432474
Energy: 0.5478889983333456
Energy: 0.5109641011425632
Energy: 0.5478889983333456
Energy: 0.5109641011429054
Energy: 0.5478889983333456
Energy: 0.5096675947418283
Energy: 0.5103507170060042
Energy: 0.5096675947418283
Energy: 0.5103507170060042
Energy: 0.5096675947435387
Energy: 0.5103507170060042
Energy: 0.5632560925577701
Energy: 0.6051215456031971
Energy: 0.5632560925577701
Energy: 0.6051215456035391
Energy: 0.5632560925577701
Energy: 0.6051215456035391
Energy: 0.5134150333183397
Energy: 0.5478551238276554
Energy: 0.5136959941716829
Energy: 0.5478551238269712
Energy: 0.5134150333186818
Energy: 0.5478551238273133
Energy: 0.5315961958007192
Energy: 0.5250682555131679
Energy: 0.5257718110895113
Energy: 0.5250682555131679
Energy: 0.5315961958010613
Energy: 0.52506825551351
Energy: 0.5286706463886642
Energy: 0.5646340975560877
Energy: 0.5681673124812913
Energy: 0.5646340975560877
Energy: 0.5286706463890063
Energy: 0.5646340975571141
Energy: 0.5656234517268006
Energy: 0.4801373866138525
Energy: 0.5656234517271427
Energy: 0.48013738661351046
Energy: 0.5656234517268006
Energy: 0.4801373866138525
Energy: 0.5095210425094078
Energy: 0.5242548080998506
Energy: 0.5095210425097498
Energy: 0.5242548081001926
Energy: 0.5095210425097498
Energy: 0.5242548080998506

minimum gb energy = 0.47933748720477676 eV
minimum distance =  2.68818445698607 Angstroms
sigma value = 51


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

Energy: 0.5379300513722458
Energy: 0.5355126083474787
Energy: 0.5379300513722458
Energy: 0.5355126083482714
Energy: 0.5379300513722458
Energy: 0.5355126083482714
Energy: 0.5815999850280521
Energy: 0.511844074415066
Energy: 0.5815999850288448
Energy: 0.511844074415066
Energy: 0.5815999850288448
Energy: 0.511844074415066
Energy: 0.4969863397112202
Energy: 0.6116220270275268
Energy: 0.4969863397112202
Energy: 0.6116220270275268
Energy: 0.4969863397112202
Energy: 0.6116220270275268
Energy: 0.528184278108543
Energy: 0.4815144963943884
Energy: 0.528184278108543
Energy: 0.4815144963943884
Energy: 0.528184278108543
Energy: 0.4815144963943884
Energy: 0.5473835409022217
Energy: 0.5108021024700885
Energy: 0.5473835409022217
Energy: 0.5108021024700885
Energy: 0.5473835409022217
Energy: 0.5108021024700885
Energy: 0.5466634884374163
Energy: 0.5117611941251933
Energy: 0.5466634884374163
Energy: 0.5117611941251933
Energy: 0.5466634884374163
Energy: 0.5117611941251933
Energy: 0.5616627675810295
Energy: 0.5118139095722728
Energy: 0.5616627675810295
Energy: 0.5118139095722728
Energy: 0.5616627675810295
Energy: 0.5118139095722728
Energy: 0.497626579096153
Energy: 0.511571278872817
Energy: 0.4976265790953604
Energy: 0.511571278872817
Energy: 0.497626579096153
Energy: 0.511571278872817
Energy: 0.6047647010894475
Energy: 0.4843379169971051
Energy: 0.6047647010894475
Energy: 0.4843379169971051
Energy: 0.6047647010894475
Energy: 0.4843379169971051
Energy: 0.504130296341533
Energy: 0.6143951786900829
Energy: 0.504130296341533
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Energy: 0.504130296341533
Energy: 0.6143951786900829
Energy: 0.5552898427197567
Energy: 0.4851118761029404
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Energy: 0.4851118761029404
Energy: 0.5552898427197567
Energy: 0.4851118761029404
Energy: 0.5393796767411596
Energy: 0.5357769685896459
Energy: 0.5393796767403669
Energy: 0.5357769685896459
Energy: 0.5393796767403669
Energy: 0.5357769685896459
Energy: 0.618111823456866
Energy: 0.5112726823332068
Energy: 0.618111823456866
Energy: 0.5112726823332068
Energy: 0.618111823456866
Energy: 0.5112726823332068
Energy: 0.49714004441283144
Energy: 0.5115482937635657
Energy: 0.49714004441283144
Energy: 0.511548293762773
Energy: 0.49714004441283144
Energy: 0.511548293762773
Energy: 0.5187057986878201
Energy: 0.5442153892090792
Energy: 0.5187057986878201
Energy: 0.5442153892082866
Energy: 0.5187057986878201
Energy: 0.5442153892090792
Energy: 0.5446440467846904
Energy: 0.5114688092793231
Energy: 0.5446440467846904
Energy: 0.5114688092793231
Energy: 0.5446440467846904
Energy: 0.5114688092793231
Energy: 0.5465115964828836
Energy: 0.554395522128422
Energy: 0.5465115964820909
Energy: 0.554395522128422
Energy: 0.5465115964828836
Energy: 0.5543955221292145
Energy: 0.5170619209971881
Energy: 0.5119663116844991
Energy: 0.5170619209971881
Energy: 0.5119663116844991
Energy: 0.5170619209971881
Energy: 0.5119663116844991

minimum gb energy = 0.4815144963943884 eV
minimum distance =  2.56541398946698 Angstroms
sigma value = 19


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

Energy: 0.4569297375195054
Energy: 0.4391872734126499
Energy: 0.45692973751997557
Energy: 0.4391872734126499
Energy: 0.4569297375195054
Energy: 0.4391872734121797
Energy: 0.5016990450179092
Energy: 0.5288005145655225
Energy: 0.5016990450164988
Energy: 0.5288005145650523
Energy: 0.5016990450188495
Energy: 0.5288005145650523
Energy: 0.41422502696076213
Energy: 0.5292127749236727
Energy: 0.41422502696264274
Energy: 0.5292127749227324
Energy: 0.41422502696076213
Energy: 0.5292127749236727
Energy: 0.48082433799599494
Energy: 0.41422133091679153
Energy: 0.48082433799646507
Energy: 0.41422133091679153
Energy: 0.4808243379974055
Energy: 0.41422133091679153
Energy: 0.4348587954433239
Energy: 0.45689630348950344
Energy: 0.4348587954423836
Energy: 0.456896303488563
Energy: 0.4348587954400328
Energy: 0.4568963034890332
Energy: 0.4348189464879828
Energy: 0.4569219656558033
Energy: 0.4348189464875126
Energy: 0.4569219656553332
Energy: 0.4348189464861021
Energy: 0.4569219656558033
Energy: 0.48085452945266055
Energy: 0.4142169216522456
Energy: 0.4808545294517202
Energy: 0.4142169216531859
Energy: 0.48085452945219037
Energy: 0.4142169216527157
Energy: 0.41422990872226695
Energy: 0.5291027368813301
Energy: 0.4142299087213266
Energy: 0.52910273688086
Energy: 0.41422990872226695
Energy: 0.5291027368818002
Energy: 0.5016336921960792
Energy: 0.5288239248723446
Energy: 0.5016336921960792
Energy: 0.5288239248723446
Energy: 0.5016336921951389
Energy: 0.5288239248723446
Energy: 0.4569297375195054
Energy: 0.43918727341309866
Energy: 0.4569297375195054
Energy: 0.4391872734121797
Energy: 0.4569297375195054
Energy: 0.4391872734126499
Energy: 0.5016990450179092
Energy: 0.5288005145650523
Energy: 0.5016990450179092
Energy: 0.5288005145650523
Energy: 0.5016990450183794
Energy: 0.5288005145650523
Energy: 0.41422502696123237
Energy: 0.5292127749232026
Energy: 0.41422502696123237
Energy: 0.5292127749241429
Energy: 0.41422502696170244
Energy: 0.5292127749227324
Energy: 0.48082433799552476
Energy: 0.41422133091679153
Energy: 0.48082433799646507
Energy: 0.4142213309172617
Energy: 0.48082433799599494
Energy: 0.41422133091679153
Energy: 0.43485879544379413
Energy: 0.456896303488563
Energy: 0.43485879544191347
Energy: 0.4568963034899735
Energy: 0.4348587954433239
Energy: 0.4568963034890332
Energy: 0.4348189464861021
Energy: 0.4569219656558033
Energy: 0.4348189464865723
Energy: 0.4569219656562735
Energy: 0.4348189464861021
Energy: 0.456921965654863
Energy: 0.4808545294540711
Energy: 0.4142169216527157
Energy: 0.4808545294507799
Energy: 0.4142169216522456
Energy: 0.4808545294517202
Energy: 0.4142169216522456
Energy: 0.41422990872226695
Energy: 0.5291027368818002
Energy: 0.4142299087217967
Energy: 0.5291027368818002
Energy: 0.4142299087227371
Energy: 0.5291027368818002
Energy: 0.50163369219796
Energy: 0.5288239248723446
Energy: 0.501633692195609
Energy: 0.5288239248723446
Energy: 0.5016336921932582
Energy: 0.5288239248723446
Energy: 0.4569297375195054
Energy: 0.4391872734126499
Energy: 0.4569297375195054
Energy: 0.4391872734126499
Energy: 0.4569297375195054
Energy: 0.4391872734126499
Energy: 0.5016990450160285
Energy: 0.5288005145655225
Energy: 0.501699045017439
Energy: 0.5288005145655225
Energy: 0.5016990450179092
Energy: 0.5288005145655225
Energy: 0.41422502696217267
Energy: 0.5292127749227324
Energy: 0.41422502696123237
Energy: 0.5292127749227324
Energy: 0.414225026963113
Energy: 0.529212774924613
Energy: 0.48082433799646507
Energy: 0.4142213309172617
Energy: 0.48082433799693525
Energy: 0.4142213309172617
Energy: 0.48082433799646507
Energy: 0.4142213309172617
Energy: 0.4348587954433239
Energy: 0.45689630348950344
Energy: 0.4348587954442643
Energy: 0.45689630348950344
Energy: 0.4348587954433239
Energy: 0.45689630349044374
Energy: 0.4348189464889231
Energy: 0.4569219656539227
Energy: 0.4348189464861021
Energy: 0.4569219656543928
Energy: 0.4348189464893933
Energy: 0.4569219656567437
Energy: 0.4808545294550114
Energy: 0.4142169216527157
Energy: 0.48085452945219037
Energy: 0.4142169216527157
Energy: 0.4808545294531307
Energy: 0.4142169216527157
Energy: 0.4142299087213266
Energy: 0.5291027368813301
Energy: 0.41422990872226695
Energy: 0.5291027368818002
Energy: 0.4142299087217967
Energy: 0.5291027368818002
Energy: 0.5016336921965494
Energy: 0.5288239248723446
Energy: 0.501633692195609
Energy: 0.5288239248718745
Energy: 0.5016336921937284
Energy: 0.5288239248723446
Energy: 0.4569297375195054
Energy: 0.4391872734126499
Energy: 0.4569297375195054
Energy: 0.4391872734126499
Energy: 0.4569297375195054
Energy: 0.4391872734126499
Energy: 0.5016990450188495
Energy: 0.5288005145650523
Energy: 0.501699045017439
Energy: 0.5288005145650523
Energy: 0.5016990450193196
Energy: 0.5288005145655225
Energy: 0.41422502696264274
Energy: 0.5292127749222622
Energy: 0.41422502696217267
Energy: 0.529212774924613
Energy: 0.41422502696123237
Energy: 0.5292127749222622

minimum gb energy = 0.4142169216522456 eV
minimum distance =  2.58550902053152 Angstroms
sigma value = 27


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

Energy: 0.47636904954953513
Energy: 0.4201181126832578
Energy: 0.47636904954953513
Energy: 0.4201181126832578
Energy: 0.47636904954953513
Energy: 0.4201181126832578
Energy: 0.5726258827830378
Energy: 0.46483096659924295
Energy: 0.5726258827818861
Energy: 0.46483096659924295
Energy: 0.5726258827818861
Energy: 0.46483096659924295
Energy: 0.39738818517315994
Energy: 0.5182840598041362
Energy: 0.39738818517315994
Energy: 0.5182840598029844
Energy: 0.39738818517315994
Energy: 0.5182840598041362
Energy: 0.5797952693176653
Energy: 0.40763979436351994
Energy: 0.5797952693176653
Energy: 0.40763979436351994
Energy: 0.5797952693176653
Energy: 0.40763979436351994
Energy: 0.5100122794374969
Energy: 0.4076239037505727
Energy: 0.5100122794374969
Energy: 0.4076239037505727
Energy: 0.5100122794374969
Energy: 0.4076239037505727
Energy: 0.4923079748980025
Energy: 0.5239216824119083
Energy: 0.4923079748980025
Energy: 0.5239216824130599
Energy: 0.4923079748991541
Energy: 0.5239216824130599
Energy: 0.39745604719960226
Energy: 0.46471911134808613
Energy: 0.39745604719960226
Energy: 0.46471911134808613
Energy: 0.44556947057100704
Energy: 0.46471911134693444
Energy: 0.4616389972795097
Energy: 0.42161188300774344
Energy: 0.4616389972795097
Energy: 0.42161188300774344
Energy: 0.4616389972795097
Energy: 0.42161188300774344
Energy: 0.46730713786908895
Energy: 0.42917405070704784
Energy: 0.46730713786908895
Energy: 0.42917404804440706
Energy: 0.46730713786793726
Energy: 0.42917405072775183
Energy: 0.47687818851977676
Energy: 0.5195043469723729
Energy: 0.4768781885209284
Energy: 0.5195043469723729
Energy: 0.4768781885209284
Energy: 0.5195043469723729
Energy: 0.45601653125085
Energy: 0.406890646619687
Energy: 0.45601653125085
Energy: 0.406890646619687
Energy: 0.5028428336011278
Energy: 0.406890646619687
Energy: 0.5076951078375148
Energy: 0.4675580573976096
Energy: 0.5076951078375148
Energy: 0.4675580573976096
Energy: 0.5076951078375148
Energy: 0.4675580573976096

minimum gb energy = 0.39738818517315994 eV
minimum distance =  2.55467155622108 Angstroms
sigma value = 9


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

Energy: 0.42922793976453993
Energy: 0.41443245475650414
Energy: 0.42922793976421636
Energy: 0.41443245475650414
Energy: 0.42922793976486356
Energy: 0.41443245475650414
Energy: 0.5541701632556717
Energy: 0.3935490162911096
Energy: 0.554170163253083
Energy: 0.40711898131753926
Energy: 0.5541701632511414
Energy: 0.41071760298815996
Energy: 0.3746329954982631
Energy: 0.5627911621819689
Energy: 0.3746329954982631
Energy: 0.5627911621819689
Energy: 0.37463299549858675
Energy: 0.5627911621784388
Energy: 0.40052238907046706
Energy: 0.39220232802524685
Energy: 0.40052238907046706
Energy: 0.39220232802524685
Energy: 0.40052238907046706
Energy: 0.3922023280255705
Energy: 0.4260326641675401
Energy: 0.40010028552728805
Energy: 0.4260326641675401
Energy: 0.40010028552728805
Energy: 0.4260326641675401
Energy: 0.40010028552728805
Energy: 0.4216381728144129
Energy: 0.4051762836678765
Energy: 0.4216381728144129
Energy: 0.4313181464202098
Energy: 0.42163817281214777
Energy: 0.413872354488129
Energy: 0.3967134163932233
Energy: 0.44995230560678917
Energy: 0.3967134163935469
Energy: 0.44995230560678917
Energy: 0.3967134163935469
Energy: 0.4499523056071128
Energy: 0.36411138017321987
Energy: 0.467494957399753
Energy: 0.36411138017289635
Energy: 0.46749495740007657
Energy: 0.36411138017289635
Energy: 0.46749495740007657
Energy: 0.5342767047466039
Energy: 0.3997079817915592
Energy: 0.5342767047449859
Energy: 0.39970798179123557
Energy: 0.5342767047462804
Energy: 0.399707981790912
Energy: 0.42837307477748415
Energy: 0.5690476942821597
Energy: 0.42837307477780767
Energy: 0.5690476942863664
Energy: 0.42837307477748415
Energy: 0.5690476942850721
Energy: 0.4022181131395988
Energy: 0.380987362709357
Energy: 0.40221811313992245
Energy: 0.380987362709357
Energy: 0.40221811313992245
Energy: 0.3809873627096806
Energy: 0.3937281100455242
Energy: 0.41226479022949825
Energy: 0.39372811004520064
Energy: 0.41226479023014545
Energy: 0.3937281100455242
Energy: 0.4122647902304691
Energy: 0.42259179860309104
Energy: 0.40242188019417663
Energy: 0.42259179860406176
Energy: 0.40242188019514735
Energy: 0.42259179860373813
Energy: 0.4024218801948237
Energy: 0.4292526068583543
Energy: 0.47403494414207326
Energy: 0.4292526068583543
Energy: 0.4740349441423969
Energy: 0.42925260685932515
Energy: 0.47403494414207326
Energy: 0.39651629785472037
Energy: 0.43324169020271663
Energy: 0.39651629785536757
Energy: 0.43324169020271663
Energy: 0.39651629785504394
Energy: 0.43324169020271663
Energy: 0.38090797198530923
Energy: 0.41605573647301086
Energy: 0.38090797198466203
Energy: 0.4160557364743053
Energy: 0.3809079719849856
Energy: 0.41605573647462885
Energy: 0.5087650556003597
Energy: 0.5011397111597767
Energy: 0.508765055600036
Energy: 0.5011397111594531
Energy: 0.5087650556003597
Energy: 0.5011397111607475
Energy: 0.4012125029313384
Energy: 0.4006843149196315
Energy: 0.4012125029310148
Energy: 0.4006843149193079
Energy: 0.4012125029313384
Energy: 0.4006843149196315
Energy: 0.36643528332298564
Energy: 0.5500663573009738
Energy: 0.36643528332298564
Energy: 0.5500663573009738
Energy: 0.36643528332298564
Energy: 0.5500663573006503
Energy: 0.5649305350774282
Energy: 0.4165318241061851
Energy: 0.5649305350780754
Energy: 0.4295359817344229
Energy: 0.5649305350780754
Energy: 0.4295359817340993
Energy: 0.3666086578577135
Energy: 0.5499919748815637
Energy: 0.3666086578570663
Energy: 0.5499919748815637
Energy: 0.3666086578577135
Energy: 0.5499919748818873
Energy: 0.4011895618458366
Energy: 0.40076783886751377
Energy: 0.4011895618455131
Energy: 0.4007678388671902
Energy: 0.4011895618458366
Energy: 0.40076783886751377
Energy: 0.5087863351854791
Energy: 0.5011092367609569
Energy: 0.5087863351858027
Energy: 0.5011092367612805
Energy: 0.5087863351854791
Energy: 0.5011092367622513
Energy: 0.3805941739270131
Energy: 0.39734045155815295
Energy: 0.38059417392668954
Energy: 0.3973404515591238
Energy: 0.3805941739270131
Energy: 0.3973404515591238
Energy: 0.39650389046619344
Energy: 0.4332855995772162
Energy: 0.39650389046619344
Energy: 0.43328559957851054
Energy: 0.39650389046619344
Energy: 0.433285599576569
Energy: 0.42931012336201063
Energy: 0.4748463147600065
Energy: 0.429310123363305
Energy: 0.47484631475968286
Energy: 0.42931012336427576
Energy: 0.47484631475968286
Energy: 0.42260774461021555
Energy: 0.4023673196536653
Energy: 0.42260774460859757
Energy: 0.4023673196546361
Energy: 0.4226077446108628
Energy: 0.4023673196530182
Energy: 0.3937389773756219
Energy: 0.38953577509173043
Energy: 0.3937389773756219
Energy: 0.38953577509173043
Energy: 0.39373897737594554
Energy: 0.38953577509237763
Energy: 0.4022090662281804
Energy: 0.3809757236142528
Energy: 0.402209066228504
Energy: 0.38097572361457643
Energy: 0.4022090662275333
Energy: 0.38097572361457643
Energy: 0.4281893947337835
Energy: 0.59775783857614
Energy: 0.42818939473345996
Energy: 0.5977578385771107
Energy: 0.42818939473345996
Energy: 0.5977578385764636
Energy: 0.5343329940692589
Energy: 0.39987761961271934
Energy: 0.5343329940699061
Energy: 0.3998776196130429
Energy: 0.5343329940705533
Energy: 0.3998776196136901
Energy: 0.3642318110352071
Energy: 0.46756394233358933
Energy: 0.3642318110355307
Energy: 0.46756394233326576
Energy: 0.3642318110352071
Energy: 0.4675639423339129
Energy: 0.3968509176967381
Energy: 0.4498682008678447
Energy: 0.396850917696091
Energy: 0.4498682008678447
Energy: 0.39685091769641445
Energy: 0.4498682008678447
Energy: 0.4215832855001363
Energy: 0.4967540496972278
Energy: 0.4215832855014307
Energy: 0.49675404969755144
Energy: 0.42158328550110713
Energy: 0.4967540496972278
Energy: 0.42630867801558747
Energy: 0.3999196794158366
Energy: 0.426308678015911
Energy: 0.3999196794158366
Energy: 0.42630867801558747
Energy: 0.3999196794155131
Energy: 0.40060564522182573
Energy: 0.39221407891676024
Energy: 0.40060564522247294
Energy: 0.39221407891676024
Energy: 0.40060564522214936
Energy: 0.39221407891676024
Energy: 0.3745197689822274
Energy: 0.562537000353515
Energy: 0.3745197689819039
Energy: 0.5625370003538386
Energy: 0.374519768982551
Energy: 0.5625370003522205
Energy: 0.5824703766012777
Energy: 0.4336895812047664
Energy: 0.5824703766012777
Energy: 0.43368958120508994
Energy: 0.5824703766025721
Energy: 0.4336895812047664
Energy: 0.42922793976453993
Energy: 0.41443245475779844
Energy: 0.4292279397651872
Energy: 0.41443245475779844
Energy: 0.42922793976421636
Energy: 0.41443245475812207
Energy: 0.5541701632559953
Energy: 0.39354901629143313
Energy: 0.5541701632514651
Energy: 0.39354901629143313
Energy: 0.5541701632517887
Energy: 0.39354901629143313
Energy: 0.3746329954953508
Energy: 0.5627911621842341
Energy: 0.3746329954963216
Energy: 0.5627911621822925
Energy: 0.37463299549696877
Energy: 0.562791162180351
Energy: 0.40052238907046706
Energy: 0.3922023280255705
Energy: 0.40052238907046706
Energy: 0.3922023280258941
Energy: 0.40052238907046706
Energy: 0.3922023280255705
Energy: 0.42603266416786373
Energy: 0.40010028552696447
Energy: 0.4260326641675401
Energy: 0.40010028552696447
Energy: 0.4260326641675401
Energy: 0.40010028552696447

minimum gb energy = 0.36411138017289635 eV
minimum distance =  2.64215159180109 Angstroms
sigma value = 57


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

Energy: 0.16650471499084318
Energy: 0.17152655853779566
Energy: 0.16650471499084318
Energy: 0.17152655853705906
Energy: 0.16650471499084318
Energy: 0.17152655853705906
Energy: 0.24634108437995467
Energy: 0.2471369923166283
Energy: 0.24634108437995467
Energy: 0.2471369923166283
Energy: 0.24634108437995467
Energy: 0.2471369923166283
Energy: 0.1967570030163681
Energy: 0.22149638588700316
Energy: 0.1967570030163681
Energy: 0.22149638588773976
Energy: 0.1967570030163681
Energy: 0.22149638588773976
Energy: 0.17318098193549217
Energy: 0.16668076166697848
Energy: 0.17318098193549217
Energy: 0.16668076166771512
Energy: 0.17318098193622877
Energy: 0.16668076166697848
Energy: 0.24603668111398438
Energy: 0.2451368921611455
Energy: 0.24603668111398438
Energy: 0.2451368921611455
Energy: 0.24603668111398438
Energy: 0.2451368921611455
Energy: 0.16667585667766255
Energy: 0.19855668491348272
Energy: 0.16667585667766255
Energy: 0.19855668491274614
Energy: 0.16667585667766255
Energy: 0.19855668491274614
Energy: 0.16671667323218534
Energy: 0.19853963963002386
Energy: 0.16671667323218534
Energy: 0.19853963962928722
Energy: 0.16671667323218534
Energy: 0.19853963963002386
Energy: 0.24604169146938962
Energy: 0.24519367537514813
Energy: 0.246041691468653
Energy: 0.24519367537514813
Energy: 0.24604169146938962
Energy: 0.24519367537514813
Energy: 0.17309530654324778
Energy: 0.16667429572057763
Energy: 0.17309530654766747
Energy: 0.16667429571984102
Energy: 0.1730953065439844
Energy: 0.16667429572057763
Energy: 0.19674514119561098
Energy: 0.22149657757885963
Energy: 0.19674514119561098
Energy: 0.22149657757885963
Energy: 0.19674514119561098
Energy: 0.22149657757885963
Energy: 0.24644567203934467
Energy: 0.24717147672986525
Energy: 0.24644567203934467
Energy: 0.24717147672986525
Energy: 0.24644567203934467
Energy: 0.24717147672986525
Energy: 0.16650471499084318
Energy: 0.17152655853705906
Energy: 0.16650471499084318
Energy: 0.17152655853705906
Energy: 0.16650471499084318
Energy: 0.17152655853705906
Energy: 0.24634108437995467
Energy: 0.24713699231368186
Energy: 0.24634108437995467
Energy: 0.2471369923144185
Energy: 0.24634108437995467
Energy: 0.24713699231368186
Energy: 0.1967570030163681
Energy: 0.22149638588700316
Energy: 0.1967570030163681
Energy: 0.22149638588700316
Energy: 0.1967570030163681
Energy: 0.22149638588773976
Energy: 0.17318098193475556
Energy: 0.16668076166624188
Energy: 0.17318098193475556
Energy: 0.16668076166697848
Energy: 0.17318098193549217
Energy: 0.16668076166697848
Energy: 0.24603668111398438
Energy: 0.2451368921611455
Energy: 0.24603668111398438
Energy: 0.24513689216188211
Energy: 0.2460366811132478
Energy: 0.24513689216188211
Energy: 0.16667585667766255
Energy: 0.19855668491274614
Energy: 0.16667585667766255
Energy: 0.1985566849120095
Energy: 0.16667585667766255
Energy: 0.19855668491274614
Energy: 0.16671667323218534
Energy: 0.19853963963002386
Energy: 0.16671667323218534
Energy: 0.19853963963002386
Energy: 0.16671667323218534
Energy: 0.19853963963002386
Energy: 0.24604169146938962
Energy: 0.24519367537441156
Energy: 0.246041691468653
Energy: 0.24519367537514813
Energy: 0.246041691468653
Energy: 0.24519367537514813

minimum gb energy = 0.16650471499084318 eV
minimum distance =  2.77923114460789 Angstroms
sigma value = 11


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

Energy: 0.3878081929586014
Energy: 0.4124436165037972
Energy: 0.3878081929586014
Energy: 0.41244361650433675
Energy: 0.38780819295806174
Energy: 0.41244361650433675
Energy: 0.4562160870563782
Energy: 0.3887161559117694
Energy: 0.4562160870558386
Energy: 0.3887161559117694
Energy: 0.4562160870563782
Energy: 0.3887161559117694
Energy: 0.4459533578796894
Energy: 0.5600112383473742
Energy: 0.4650059285368278
Energy: 0.5600112383473742
Energy: 0.4465952880954928
Energy: 0.5600112383473742
Energy: 0.4567475690106161
Energy: 0.3654439330081279
Energy: 0.4567475690106161
Energy: 0.3654439330081279
Energy: 0.4567475690106161
Energy: 0.3654439330081279
Energy: 0.4028858635421562
Energy: 0.329033409460932
Energy: 0.4028858635421562
Energy: 0.329033409460932
Energy: 0.40288586354269584
Energy: 0.329033409460932
Energy: 0.40783336635041467
Energy: 0.42847444202022744
Energy: 0.40783336635041467
Energy: 0.42847444202022744
Energy: 0.40783336635041467
Energy: 0.42847444202022744
Energy: 0.3604061619359542
Energy: 0.4838044138538679
Energy: 0.36040616193541464
Energy: 0.4838044138538679
Energy: 0.360406161934875
Energy: 0.4838044138538679
Energy: 0.4171907378083876
Energy: 0.31975618682196816
Energy: 0.4171907378083876
Energy: 0.31975618682196816
Energy: 0.4171907378083876
Energy: 0.3197561868214286
Energy: 0.41663487638702545
Energy: 0.3148075278649973
Energy: 0.41663487638702545
Energy: 0.31480752786553695
Energy: 0.41663487638648594
Energy: 0.31480752786553695
Energy: 0.3223363054295576
Energy: 0.4965437527706077
Energy: 0.3223363054295576
Energy: 0.49654375277114726
Energy: 0.3223363054295576
Energy: 0.4965437527706077
Energy: 0.4264688222787338
Energy: 0.4899893930875977
Energy: 0.4264688222781942
Energy: 0.48998939308813727
Energy: 0.42646882227927335
Energy: 0.48998939308813727
Energy: 0.3931303330621645
Energy: 0.33105364668438303
Energy: 0.39313033306113443
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Energy: 0.393130333061625
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Energy: 0.421715095849505
Energy: 0.37681963549999375
Energy: 0.421715095849505
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Energy: 0.42171509584896544
Energy: 0.3768196355005334
Energy: 0.45351507281155834
Energy: 0.5443371158618231
Energy: 0.45351507281155834
Energy: 0.5443371158618231
Energy: 0.45351507281155834
Energy: 0.5443371158612835
Energy: 0.4457146104459031
Energy: 0.39086016674404755
Energy: 0.4457146104459031
Energy: 0.390860166743508
Energy: 0.4457146104464426
Energy: 0.390860166743508
Energy: 0.3885785666600933
Energy: 0.4133695588083186
Energy: 0.3885785666600933
Energy: 0.4133695588083186
Energy: 0.3885785666600933
Energy: 0.4133695588083186
Energy: 0.3646609486880857
Energy: 0.38812794424731845
Energy: 0.36466094868862536
Energy: 0.38812794424731845
Energy: 0.3646609486880857
Energy: 0.38812794424731845
Energy: 0.5047725908417864
Energy: 0.5322195837163057
Energy: 0.5047725908417864
Energy: 0.5322195837157662
Energy: 0.5047725908417864
Energy: 0.5322195837157662
Energy: 0.4886401886275181
Energy: 0.36570385171311137
Energy: 0.4886401886280577
Energy: 0.36570385171365094
Energy: 0.4886401886280577
Energy: 0.36570385171365094
Energy: 0.40334308432560756
Energy: 0.37335840952573374
Energy: 0.40334308432560756
Energy: 0.37335840952573374
Energy: 0.40334308432560756
Energy: 0.37335840952573374
Energy: 0.3311166053465073
Energy: 0.4290903408777116
Energy: 0.3311166053459677
Energy: 0.4290903408782511
Energy: 0.3311166053465073
Energy: 0.4290903408777116
Energy: 0.41564177782492706
Energy: 0.4536508380477708
Energy: 0.41564177782222916
Energy: 0.4536508380477708
Energy: 0.41564177782438755
Energy: 0.4536508380477708
Energy: 0.44754495316759957
Energy: 0.3922564149976396
Energy: 0.44754495316759957
Energy: 0.3922564149976396
Energy: 0.44754495316759957
Energy: 0.3922564149960209
Energy: 0.4149673632493146
Energy: 0.3624359837224312
Energy: 0.4149673632498541
Energy: 0.3624359837218917
Energy: 0.4149673632498541
Energy: 0.3624359837224312
Energy: 0.33102686166809797
Energy: 0.49417664346360085
Energy: 0.33102686166755835
Energy: 0.4941766434630612
Energy: 0.33102686166755835
Energy: 0.4941766434630612
Energy: 0.5715923437018597
Energy: 0.5003463752524232
Energy: 0.5715923437018597
Energy: 0.5003463752524232
Energy: 0.5715923437023992
Energy: 0.5003463752524232

minimum gb energy = 0.3148075278649973 eV
minimum distance =  2.63594576553992 Angstroms
sigma value = 41


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

Energy: 0.4359417231615905
Energy: 0.35290788215114594
Energy: 0.4359417231615905
Energy: 0.35290788215114594
Energy: 0.4359417231615905
Energy: 0.35290788215157126
Energy: 0.4693774955966519
Energy: 0.45364917818368045
Energy: 0.4693774955966519
Energy: 0.45364917818368045
Energy: 0.4693774955966519
Energy: 0.45364917818368045
Energy: 0.5515559021925344
Energy: 0.6289555010594712
Energy: 0.5515559021925344
Energy: 0.6289555010594712
Energy: 0.5515559021925344
Energy: 0.6289555010594712
Energy: 0.425865116517261
Energy: 0.3538331586621138
Energy: 0.425865116517261
Energy: 0.3538331586621138
Energy: 0.425865116517261
Energy: 0.3538331586621138
Energy: 0.33391924143865104
Energy: 0.3724104827686452
Energy: 0.33391924143865104
Energy: 0.3724104827686452
Energy: 0.33391924143865104
Energy: 0.3724104827686452
Energy: 0.46286266814642735
Energy: 0.5294353445594258
Energy: 0.46286266814642735
Energy: 0.5294353445594258
Energy: 0.46286266814642735
Energy: 0.529435344559851
Energy: 0.3782508159795995
Energy: 0.5389183124236502
Energy: 0.3782508159804501
Energy: 0.5389183124240754
Energy: 0.3782508159800248
Energy: 0.5389183124236502
Energy: 0.35669620871586644
Energy: 0.3539411350700425
Energy: 0.35669620871586644
Energy: 0.35394113506961716
Energy: 0.35669620871586644
Energy: 0.3539411350700425
Energy: 0.33920924209764786
Energy: 0.3578566928510598
Energy: 0.33920924209722253
Energy: 0.3578566928510598
Energy: 0.33920924209722253
Energy: 0.357856692851485
Energy: 0.42078159975041096
Energy: 0.5593444899322035
Energy: 0.42078159974998575
Energy: 0.5593444899322035
Energy: 0.42078159975041096
Energy: 0.5593444899326289
Energy: 0.4229389642158308
Energy: 0.5157371586546801
Energy: 0.4229389642154055
Energy: 0.5157371586542548
Energy: 0.4229389642162561
Energy: 0.5157371586538295
Energy: 0.3385152789213435
Energy: 0.4542081455057513
Energy: 0.33851527892176875
Energy: 0.4818061014241277
Energy: 0.33851527892176875
Energy: 0.4203674404518067
Energy: 0.35417661246355836
Energy: 0.3535206011112456
Energy: 0.35417661246355836
Energy: 0.35352060111082023
Energy: 0.35417661246355836
Energy: 0.3535206011112456
Energy: 0.333735230556843
Energy: 0.5048606456720711
Energy: 0.333735230556843
Energy: 0.5048606456707951
Energy: 0.33373523055641774
Energy: 0.5048606456729217
Energy: 0.4611182940208576
Energy: 0.5305369707181073
Energy: 0.4611182940208576
Energy: 0.5305369707181073
Energy: 0.46111829402128285
Energy: 0.5305369707176821
Energy: 0.33496501842244464
Energy: 0.4660091656051055
Energy: 0.33496501842286996
Energy: 0.49258649093344775
Energy: 0.33496501842286996
Energy: 0.42416100953997826
Energy: 0.35405645665308627
Energy: 0.3534044326733259
Energy: 0.35405645665351165
Energy: 0.3534044326733259
Energy: 0.35405645665308627
Energy: 0.3534044326733259
Energy: 0.463339367658885
Energy: 0.6302730069683503
Energy: 0.463339367658885
Energy: 0.6302730069683503
Energy: 0.463339367658885
Energy: 0.6302730069683503
Energy: 0.4680924313654469
Energy: 0.4535196502558626
Energy: 0.46809243136587225
Energy: 0.45351965025543733
Energy: 0.46809243136587225
Energy: 0.4535196502558626
Energy: 0.43810757186781407
Energy: 0.5032134583420617
Energy: 0.43810757186738886
Energy: 0.47199010124656104
Energy: 0.43810757186781407
Energy: 0.41612137736901167
Energy: 0.3391653690238857
Energy: 0.4563390042234664
Energy: 0.3391653690238857
Energy: 0.4563390042234664
Energy: 0.33916536902431094
Energy: 0.4563390042234664
Energy: 0.5499453841846829
Energy: 0.6237721371950061
Energy: 0.5499453841846829
Energy: 0.6237721371954315
Energy: 0.5499453841842576
Energy: 0.6237721371958568
Energy: 0.4256338465911079
Energy: 0.3532773637988525
Energy: 0.4256338465911079
Energy: 0.35327736379927777
Energy: 0.4256338465911079
Energy: 0.3532773637988525
Energy: 0.33492146238285553
Energy: 0.47098761901804775
Energy: 0.33492146238285553
Energy: 0.4918854490171364
Energy: 0.33492146238285553
Energy: 0.43617247989884544
Energy: 0.33401846710043814
Energy: 0.4999851672263792
Energy: 0.3340184671000128
Energy: 0.4999851672263792
Energy: 0.3340184671000128
Energy: 0.4999851672263792
Energy: 0.37817301025522637
Energy: 0.5139551060692901
Energy: 0.37817301025480116
Energy: 0.5139551060692901
Energy: 0.37817301025480116
Energy: 0.5139551060692901
Energy: 0.35406606014170633
Energy: 0.35345997388214373
Energy: 0.35406606014170633
Energy: 0.35345997388214373
Energy: 0.35406606014170633
Energy: 0.35345997388214373
Energy: 0.3391487174833719
Energy: 0.4538799196797682
Energy: 0.3391487174833719
Energy: 0.44677651925641365
Energy: 0.3391487174833719
Energy: 0.41835039680185365
Energy: 0.4225226549789516
Energy: 0.46112606010624585
Energy: 0.42252265497937685
Energy: 0.4611260601066712
Energy: 0.4225226549789516
Energy: 0.4611260601066712
Energy: 0.5488223745089008
Energy: 0.4775155589257811
Energy: 0.5488223745089008
Energy: 0.4775155589257811
Energy: 0.5488223745089008
Energy: 0.4775155589266317
Energy: 0.341150379379351
Energy: 0.415730838670871
Energy: 0.341150379379351
Energy: 0.41573083867129623
Energy: 0.341150379379351
Energy: 0.415730838670871
Energy: 0.3543302603265549
Energy: 0.3553926452046571
Energy: 0.3543302603265549
Energy: 0.3553926452046571
Energy: 0.3543302603265549
Energy: 0.3553926452042318
Energy: 0.33402957816109147
Energy: 0.42312412929121473
Energy: 0.33402957816109147
Energy: 0.42312412929164
Energy: 0.33402957816109147
Energy: 0.42312412929121473

minimum gb energy = 0.33373523055641774 eV
minimum distance =  2.66390855639941 Angstroms
sigma value = 33


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

Energy: 0.39083778021679483
Energy: 0.36195771322202047
Energy: 0.39083778021649634
Energy: 0.36195771322202047
Energy: 0.39083778021649634
Energy: 0.361957713221722
Energy: 0.44753711055280826
Energy: 0.36625565737172927
Energy: 0.44753711055280826
Energy: 0.36625565737172927
Energy: 0.44753711054922657
Energy: 0.36625565737172927
Energy: 0.4145870803298978
Energy: 0.6151013912682475
Energy: 0.4145870803290023
Energy: 0.6151013912688444
Energy: 0.414587080328107
Energy: 0.6151013912688444
Energy: 0.4189878631353462
Energy: 0.36638689017346715
Energy: 0.41898786313504777
Energy: 0.3663868901731687
Energy: 0.41898786313474934
Energy: 0.3663868901731687
Energy: 0.36046358879339685
Energy: 0.4984775212762597
Energy: 0.36046358879339685
Energy: 0.49847752142693186
Energy: 0.36046358879369533
Energy: 0.49847752192008254
Energy: 0.5271085706168244
Energy: 0.37156058047845086
Energy: 0.5271085706174212
Energy: 0.37156058047845086
Energy: 0.5271085706174212
Energy: 0.37156058047845086
Energy: 0.4091694018926514
Energy: 0.4677484247104912
Energy: 0.40916940189235285
Energy: 0.46774842471108813
Energy: 0.4091694018926514
Energy: 0.4677484247104912
Energy: 0.41819764145813854
Energy: 0.4542677815059844
Energy: 0.41819764145813854
Energy: 0.4542677815065814
Energy: 0.41819764145813854
Energy: 0.45426778150687985
Energy: 0.4321336399334899
Energy: 0.3723408166689233
Energy: 0.43213363993289294
Energy: 0.3723408166695202
Energy: 0.4321336399346838
Energy: 0.3723408166695202
Energy: 0.5505657947638015
Energy: 0.37691310425401675
Energy: 0.5505657947638015
Energy: 0.37691310425401675
Energy: 0.5505657947635031
Energy: 0.37691310425401675
Energy: 0.4225125015498778
Energy: 0.4238696146856765
Energy: 0.42251250155077313
Energy: 0.42386961468418416
Energy: 0.42251250155137016
Energy: 0.4238696146838856
Energy: 0.6019783468855904
Energy: 0.36622865943228017
Energy: 0.6019783468855904
Energy: 0.3662286594319817
Energy: 0.6019783468852918
Energy: 0.3662286594319817
Energy: 0.37068228474951015
Energy: 0.492502756980286
Energy: 0.3706822847492117
Energy: 0.49250275698177837
Energy: 0.37068228474951015
Energy: 0.4925027569799876
Energy: 0.4521499134164558
Energy: 0.4194827316500321
Energy: 0.4521499134170528
Energy: 0.4194827316500321
Energy: 0.4521499134170528
Energy: 0.41948273164973365
Energy: 0.45295998338755716
Energy: 0.40638494269286846
Energy: 0.45295998338815413
Energy: 0.4063849426934654
Energy: 0.4529599833872587
Energy: 0.40638494269286846
Energy: 0.3701119549627612
Energy: 0.5270322534147026
Energy: 0.3701119549624628
Energy: 0.5270322534150009
Energy: 0.3701119549627612
Energy: 0.5270322534147026
Energy: 0.6011749517049071
Energy: 0.36116007680913836
Energy: 0.6011749517046087
Energy: 0.3611600768097353
Energy: 0.6011749517049071
Energy: 0.36116007680943685
Energy: 0.36030220651768385
Energy: 0.4208514691381102
Energy: 0.36030220651738537
Energy: 0.42085146913781174
Energy: 0.36030220651768385
Energy: 0.42085146913781174
Energy: 0.6082786595020458
Energy: 0.41448300020078516
Energy: 0.6082786595023443
Energy: 0.41448300020048656
Energy: 0.6082786595026427
Energy: 0.4144830001942188
Energy: 0.4955015256348706
Energy: 0.3711471659496356
Energy: 0.49550152563457217
Energy: 0.3711471659502325
Energy: 0.4955015256348706
Energy: 0.3711471659502325
Energy: 0.36120416879511974
Energy: 0.39150720655281496
Energy: 0.3612041687954182
Energy: 0.39150720655281496
Energy: 0.3612041687954182
Energy: 0.3915072065525164
Energy: 0.3610981506597494
Energy: 0.44687691265490703
Energy: 0.3610981506597494
Energy: 0.4468769126546085
Energy: 0.3610981506603463
Energy: 0.44687691265431
Energy: 0.5845057100992829
Energy: 0.49883576924856315
Energy: 0.5845057100992829
Energy: 0.49883576924826467
Energy: 0.5845057100998797
Energy: 0.49883576924856315
Energy: 0.3637764027857574
Energy: 0.41869919674296424
Energy: 0.3637764027857574
Energy: 0.41869919674296424
Energy: 0.36377640278605583
Energy: 0.41869919674147194
Energy: 0.3616234187597732
Energy: 0.36132672895014234
Energy: 0.36162341877051807
Energy: 0.3613267289504409
Energy: 0.3616234187654441
Energy: 0.3613267289507393
Energy: 0.3753756139203918
Energy: 0.594564445638912
Energy: 0.37537561391949636
Energy: 0.594564445638912
Energy: 0.37537561391949636
Energy: 0.5945644456386135
Energy: 0.44784890553886975
Energy: 0.40671001396203066
Energy: 0.4478489055382727
Energy: 0.40671001396411993
Energy: 0.4478489055391682
Energy: 0.40671001396203066
Energy: 0.39064339306223983
Energy: 0.3623044920940938
Energy: 0.39064339306223983
Energy: 0.3623044920940938
Energy: 0.3906433930619414
Energy: 0.36230449209439225
Energy: 0.37473768284704456
Energy: 0.4929459428728383
Energy: 0.37473768284734305
Energy: 0.4929459428728383
Energy: 0.37473768284734305
Energy: 0.4929459428725399
Energy: 0.37863405539994766
Energy: 0.5527815152412793
Energy: 0.37863405539964917
Energy: 0.5527815152418761
Energy: 0.37863405539964917
Energy: 0.5527815152415777
Energy: 0.4214301579689973
Energy: 0.36059643786537027
Energy: 0.42143015796869887
Energy: 0.3605964378635795
Energy: 0.4214301579689973
Energy: 0.3605964378641764
Energy: 0.3618250992912824
Energy: 0.600495929276925
Energy: 0.3618250992915809
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Energy: 0.3618250992912824
Energy: 0.600495929276925
Energy: 0.4959347344430523
Energy: 0.37035663372065564
Energy: 0.4959347344430523
Energy: 0.37035663372065564
Energy: 0.4959347344430523
Energy: 0.37035663372065564
Energy: 0.41972173985765604
Energy: 0.45173900368618375
Energy: 0.4197217398564623
Energy: 0.4517390036858853
Energy: 0.41972173985616373
Energy: 0.4517390036858853
Energy: 0.419687855576005
Energy: 0.4515309292871571
Energy: 0.41968785557630345
Energy: 0.4515309292847694
Energy: 0.419687855576005
Energy: 0.4515309292865602
Energy: 0.49593341942942487
Energy: 0.37079138649830196
Energy: 0.4959334194297233
Energy: 0.3707913864977051
Energy: 0.49593341942942487
Energy: 0.37079138649830196
Energy: 0.36361484109762837
Energy: 0.600459996409959
Energy: 0.36361484109762837
Energy: 0.6004599964102573
Energy: 0.36361484109762837
Energy: 0.6004599964102573
Energy: 0.42141955939586845
Energy: 0.3605620878111553
Energy: 0.42141955939586845
Energy: 0.3605620878111553
Energy: 0.42141955939616693
Energy: 0.36056208781085686
Energy: 0.37847143182633375
Energy: 0.5530314375143192
Energy: 0.3784714318266323
Energy: 0.5530314375146177
Energy: 0.3784714318260353
Energy: 0.5530314375164085
Energy: 0.3748190849365886
Energy: 0.4929339417201073
Energy: 0.3748190849365886
Energy: 0.4929339417198088
Energy: 0.3748190849368871
Energy: 0.4929339417198088
Energy: 0.3905482020500546
Energy: 0.362208951926384
Energy: 0.3905482020500546
Energy: 0.362208951926384
Energy: 0.39054820204975615
Energy: 0.3622089519260856
Energy: 0.4479722917322648
Energy: 0.4068162421531272
Energy: 0.44797229173256337
Energy: 0.4068162421546196
Energy: 0.4479722917322648
Energy: 0.4068162421525303
Energy: 0.375164713940161
Energy: 0.5944545043612892
Energy: 0.3751647139404594
Energy: 0.5944545043597969
Energy: 0.3751647139413548
Energy: 0.5944545043603937
Energy: 0.3617284486449075
Energy: 0.3612810904576363
Energy: 0.3617284486350852
Energy: 0.3612810904576363
Energy: 0.36172844864580295
Energy: 0.3612810904576363
Energy: 0.36374956714806506
Energy: 0.41858991734518725
Energy: 0.3637495671483635
Energy: 0.4185899173454857
Energy: 0.3637495671483635
Energy: 0.4185899173439933
Energy: 0.5845453187640731
Energy: 0.49863344584031777
Energy: 0.5845453187643717
Energy: 0.4986334458400192
Energy: 0.5845453187643717
Energy: 0.49863344584031777
Energy: 0.3611745550877281
Energy: 0.4468578044975062
Energy: 0.36117455508802654
Energy: 0.4468578044975062
Energy: 0.36117455508742957
Energy: 0.44685780449840157

minimum gb energy = 0.36030220651738537 eV
minimum distance =  2.64223612608424 Angstroms
sigma value = 67


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

Energy: 0.3866495994989501
Energy: 0.3779826485619352
Energy: 0.3866495994989501
Energy: 0.3779826485619352
Energy: 0.3866495994989501
Energy: 0.3779826485619352
Energy: 0.3785969105895198
Energy: 0.3779382468035406
Energy: 0.3785969105895198
Energy: 0.3779382468035406
Energy: 0.3785969105895198
Energy: 0.3779382468035406
Energy: 0.5449272502447516
Energy: 0.5196816814918566
Energy: 0.5449272502445477
Energy: 0.5196816814918566
Energy: 0.6083514315378733
Energy: 0.5196816814920605
Energy: 0.3785949474370653
Energy: 0.37774017928864206
Energy: 0.3785949474370653
Energy: 0.3777401792890274
Energy: 0.3785949474370653
Energy: 0.37774017928884607
Energy: 0.3866495994989501
Energy: 0.37798264856213926
Energy: 0.3866495994987461
Energy: 0.3779826485619352
Energy: 0.3866495994989501
Energy: 0.3779826485619352
Energy: 0.3785969105897238
Energy: 0.37793824680313254
Energy: 0.3785969105895198
Energy: 0.3779382468033366
Energy: 0.3785969105895198
Energy: 0.3779382468033366
Energy: 0.3987461259073134
Energy: 0.5196816814918566
Energy: 0.39874612590690534
Energy: 0.5196816814920605
Energy: 0.39874612590652
Energy: 0.5196816814920605

minimum gb energy = 0.37774017928864206 eV
minimum distance =  2.6650471102682 Angstroms
sigma value = 3


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

Energy: 0.5844407112464967
Energy: 0.45868607436104847
Energy: 0.5665685692058365
Energy: 0.45868607435996267
Energy: 0.5844407112459536
Energy: 0.4586860743605056
Energy: 0.4963006068911636
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Energy: 0.46444959642525174
Energy: 0.49630060689141037
Energy: 0.4644495964254986
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Energy: 0.5564836492381288
Energy: 0.5039700637080795
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Energy: 0.5564836492370429
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Energy: 0.46349634666017064
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Energy: 0.45044442608840296
Energy: 0.4663480921502798
Energy: 0.4504444260870704
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Energy: 0.5187658979568691
Energy: 0.5172580618763861
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Energy: 0.5187658979568691
Energy: 0.4648075093480198
Energy: 0.5163855713810949
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Energy: 0.5163855713821807
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Energy: 0.5594186091985094
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Energy: 0.5591155618906782
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Energy: 0.5196081238624894
Energy: 0.4646652042520589
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Energy: 0.48939640890559255
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Energy: 0.4676556121206257
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Energy: 0.502002059243892
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Energy: 0.5022759811663239
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Energy: 0.4760324283520133
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Energy: 0.471208092474973
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Energy: 0.5168745453662698
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Energy: 0.4806328404622021
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Energy: 0.544988704571535
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Energy: 0.5002274356558299
Energy: 0.4819673197861688
Energy: 0.5002274356544973
Energy: 0.48196713088584964
Energy: 0.5002274356544973
Energy: 0.4695269143291443
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Energy: 0.5244037084055747
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Energy: 0.5181095487761742
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Energy: 0.5181095487770132
Energy: 0.4640925820529599
Energy: 0.48720228493345774
Energy: 0.46409258205241694
Energy: 0.5013152295746574
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Energy: 0.4879411320505448
Energy: 0.5000568780567075
Energy: 0.5731961415564641
Energy: 0.5000597432095694
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Energy: 0.4501853216082687
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Energy: 0.4601989657105134
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Energy: 0.5469910851634563
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Energy: 0.47353833349004587
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Energy: 0.484438934855028
Energy: 0.5732384228747315
Energy: 0.4663529168691998
Energy: 0.5151841209064872
Energy: 0.46634938637042656
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Energy: 0.4663529168673243
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Energy: 0.5140834628571206
Energy: 0.49002053663031975
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Energy: 0.4900205366297768
Energy: 0.5140834628579103
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Energy: 0.48703642660159374
Energy: 0.46913279043650824
Energy: 0.48703642660129765
Energy: 0.4837944378715325
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Energy: 0.4698892781272215
Energy: 0.49045674465772404
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Energy: 0.4904567446574773
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Energy: 0.49045674465797084
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Energy: 0.525721220555062
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Energy: 0.5257212205471652
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Energy: 0.44398319453687224
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Energy: 0.5108936156788397
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Energy: 0.5170438913722217
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Energy: 0.5170438913727647
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Energy: 0.49317710516318936
Energy: 0.4962675865895699
Energy: 0.49317710516289326
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Energy: 0.49317710516289326
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Energy: 0.502874485924411
Energy: 0.5080040874664616
Energy: 0.5028744859227824
Energy: 0.5080040874656719
Energy: 0.5028744859233252
Energy: 0.5009023542629433
Energy: 0.5131476819295421
Energy: 0.503347075283471
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Energy: 0.5009023542648188
Energy: 0.5131476819284563
Energy: 0.47939978529960414
Energy: 0.49967261708377314
Energy: 0.47941158934702294
Energy: 0.4996726170433021
Energy: 0.47939978529935723
Energy: 0.4996726169738598
Energy: 0.5431135967612362
Energy: 0.4483273214083012
Energy: 0.5431135967926752
Energy: 0.448327321408548
Energy: 0.5431135968089624
Energy: 0.4483273214083012
Energy: 0.4611933299412342
Energy: 0.5231723792259674
Energy: 0.4611933299412342
Energy: 0.5231723792219203
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Energy: 0.5231723792265104
Energy: 0.5012563953847754
Energy: 0.5129681555751248
Energy: 0.5012563953845286
Energy: 0.5129681555756676
Energy: 0.5012563953850716
Energy: 0.5129681555762106
Energy: 0.4941677829922063
Energy: 0.548633410519404
Energy: 0.4941697546247426
Energy: 0.5486334105204898
Energy: 0.4941677829938351
Energy: 0.5486334105164427
Energy: 0.5705488985007686
Energy: 0.4496235584984604
Energy: 0.5705488985023973
Energy: 0.44962355849707847
Energy: 0.5705488985016076
Energy: 0.4496235585250627
Energy: 0.47299475900642574
Energy: 0.5876546904615293
Energy: 0.4729947590053399
Energy: 0.5876546904615293
Energy: 0.4729947590053399
Energy: 0.5876546904615293
Energy: 0.4810155767986794
Energy: 0.46117090466508054
Energy: 0.4810155767986794
Energy: 0.4611709046653273
Energy: 0.48101557679838325
Energy: 0.4611709046653273
Energy: 0.5386200144041023
Energy: 0.46111182075871243
Energy: 0.5386200144041023
Energy: 0.46111182075762663
Energy: 0.5386200144041023
Energy: 0.46111182075762663
Energy: 0.5529979922909268
Energy: 0.46610471916760626
Energy: 0.5529979922917658
Energy: 0.4661047191654346
Energy: 0.5529979922903839
Energy: 0.4661047191665204
Energy: 0.4965013021153215
Energy: 0.48749542646699306
Energy: 0.4965013790963465
Energy: 0.4874954264686217
Energy: 0.49650130211586446
Energy: 0.4874954264653643
Energy: 0.46267822891267146
Energy: 0.4733678668840452
Energy: 0.46267822891267146
Energy: 0.47336786688513094
Energy: 0.46267822891267146
Energy: 0.47336786688325555
Energy: 0.49793133102405907
Energy: 0.49927516367372077
Energy: 0.49793133102405907
Energy: 0.49927516367342467
Energy: 0.49793133102460196
Energy: 0.49927516367372077
Energy: 0.5145901431723642
Energy: 0.5209792252255067
Energy: 0.514590143172907
Energy: 0.5209792252385363
Energy: 0.51459014317345
Energy: 0.520979225230689
Energy: 0.4707236846709851
Energy: 0.5163153706464131
Energy: 0.4708344990557559
Energy: 0.5163153706453272
Energy: 0.4707236846709851
Energy: 0.5163153706469559

minimum gb energy = 0.44398319453687224 eV
minimum distance =  2.57232955877552 Angstroms
sigma value = 81


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

Energy: 0.529468854385734
Energy: 0.4608360560522688
Energy: 0.5041555720847286
Energy: 0.4608360560522688
Energy: 0.529468854385734
Energy: 0.4608360560522688
Energy: 0.45380821872564586
Energy: 0.4693801800287072
Energy: 0.45380821872564586
Energy: 0.46938018002907966
Energy: 0.45380821872564586
Energy: 0.46938018002907966
Energy: 0.5710629940786028
Energy: 0.5362314723470701
Energy: 0.5390161225804435
Energy: 0.5362314723470701
Energy: 0.5710629940793479
Energy: 0.5362314723466975
Energy: 0.439547764546548
Energy: 0.49090524981364436
Energy: 0.4395477645461754
Energy: 0.49090524981364436
Energy: 0.4395477645461754
Energy: 0.4909052498143895
Energy: 0.46882298082823337
Energy: 0.41994624752637194
Energy: 0.46882298082823337
Energy: 0.41994624752599935
Energy: 0.4688229808286059
Energy: 0.41994624752637194
Energy: 0.4432535235220116
Energy: 0.42384861617334846
Energy: 0.4432535235227567
Energy: 0.42384861617297587
Energy: 0.4432535235223842
Energy: 0.42384861617334846
Energy: 0.4229767069645722
Energy: 0.42488329002670716
Energy: 0.42297670696382705
Energy: 0.4248832900270797
Energy: 0.42297670696419964
Energy: 0.4248832900270797
Energy: 0.4752201598893042
Energy: 0.4479043002913635
Energy: 0.47522488011629394
Energy: 0.4479043002928538
Energy: 0.4752201598889316
Energy: 0.4479043002924813
Energy: 0.5370293357712974
Energy: 0.5171228307038287
Energy: 0.5370293357731603
Energy: 0.5171228307038287
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Energy: 0.5171228307034562
Energy: 0.4962785355652344
Energy: 0.560595420809542
Energy: 0.49627853556486173
Energy: 0.5605954208099145
Energy: 0.4962785355652344
Energy: 0.5605954208091695
Energy: 0.45531838391033114
Energy: 0.45114400092187196
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Energy: 0.45114400092261714
Energy: 0.45531838391033114
Energy: 0.45114400092224455
Energy: 0.42382059439952047
Energy: 0.4414349173384974
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Energy: 0.44143491733886997
Energy: 0.42382059439989295
Energy: 0.44143491733812484
Energy: 0.45307021853761675
Energy: 0.4704971589175855
Energy: 0.4530702185379893
Energy: 0.4704971589175855
Energy: 0.45307021853761675
Energy: 0.4704971589175855
Energy: 0.476546003791998
Energy: 0.51718698751543
Energy: 0.47654600379237055
Energy: 0.51718698751543
Energy: 0.47654600379237055
Energy: 0.5171869875150913
Energy: 0.5061212703186587
Energy: 0.4445263351985655
Energy: 0.5061212703190313
Energy: 0.4445263351981929
Energy: 0.5061212703182862
Energy: 0.44452633519893797
Energy: 0.4751811425806127
Energy: 0.4199601237136672
Energy: 0.47518114258098537
Energy: 0.4199601237125495
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Energy: 0.4199601237129221
Energy: 0.48516059316503624
Energy: 0.42407537866294776
Energy: 0.4851605931654087
Energy: 0.42407537866294776
Energy: 0.4851605931654087
Energy: 0.4240753786622026
Energy: 0.46005661746254894
Energy: 0.4760236131247815
Energy: 0.4600531354572752
Energy: 0.47602361312440894
Energy: 0.46005661746254894
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Energy: 0.5371529055337683
Energy: 0.4493398338398666
Energy: 0.5371529055341409
Energy: 0.4493398338417294
Energy: 0.5371529055341409
Energy: 0.44933983383874887
Energy: 0.4898006035316228
Energy: 0.5000274326813617
Energy: 0.48980060352975996
Energy: 0.5000274326817343
Energy: 0.4898006035293875
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Energy: 0.4193772869563719
Energy: 0.47051949277846916
Energy: 0.4193772869559993
Energy: 0.47051949277846916
Energy: 0.419377286957117
Energy: 0.47051949277846916
Energy: 0.46100957132589404
Energy: 0.4543423114898039
Energy: 0.42338085989859164
Energy: 0.4543423114901764
Energy: 0.46100957132589404
Energy: 0.4543423114898039
Energy: 0.45906299875001155
Energy: 0.42303944972382473
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Energy: 0.42303944972456986
Energy: 0.459062998749639
Energy: 0.4230394497241973
Energy: 0.4521275977415479
Energy: 0.4699673629168959
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Energy: 0.4699673629172684
Energy: 0.45212759774117545
Energy: 0.4699673629168959
Energy: 0.47522503381729386
Energy: 0.5148718557139982
Energy: 0.47522503381692127
Energy: 0.5148718557158608
Energy: 0.47522503381692127
Energy: 0.5148718557143706
Energy: 0.5769685904366356
Energy: 0.574383835953814
Energy: 0.5769685904366356
Energy: 0.574383835953814
Energy: 0.5769685904370081
Energy: 0.574383835953814
Energy: 0.460074427021052
Energy: 0.4413952983433497
Energy: 0.460074427021052
Energy: 0.4413952983433497
Energy: 0.460074427021052
Energy: 0.44139529834409486
Energy: 0.47725005094922307
Energy: 0.42317466375413504
Energy: 0.47725005094847794
Energy: 0.4231746637537625
Energy: 0.4772500509488506
Energy: 0.42317466375413504
Energy: 0.4747752118961765
Energy: 0.4536975324420577
Energy: 0.4746191316093629
Energy: 0.4536975324416851
Energy: 0.4747752118965491
Energy: 0.45369753244131256
Energy: 0.5144227205660108
Energy: 0.44769830427627494
Energy: 0.5144227205660108
Energy: 0.44769830427702006
Energy: 0.5144227205656384
Energy: 0.4476983042632352
Energy: 0.4920736271814348
Energy: 0.504619776459044
Energy: 0.4920736271814348
Energy: 0.5046197764582989
Energy: 0.4920736271814348
Energy: 0.504619776457215
Energy: 0.41960327754569315
Energy: 0.47024860272699465
Energy: 0.4196032775464383
Energy: 0.4702486027273672
Energy: 0.4196032775464383
Energy: 0.4702486027273672
Energy: 0.4237457774766548
Energy: 0.4813391240588935
Energy: 0.4237457774766548
Energy: 0.4813391240585209
Energy: 0.4237457774762822
Energy: 0.4813391240588935
Energy: 0.42142416069129573
Energy: 0.4722024617423589
Energy: 0.4214241606909232
Energy: 0.4722024617423589
Energy: 0.4214241606909232
Energy: 0.4722024617419864
Energy: 0.5130609686296911
Energy: 0.4708364471416735
Energy: 0.5130503319542695
Energy: 0.4708364471431637
Energy: 0.5130609686296911
Energy: 0.4708364471431637
Energy: 0.5212223700297482
Energy: 0.4920263101423734
Energy: 0.5212223700293759
Energy: 0.49202631014311854
Energy: 0.521222370030121
Energy: 0.4920263101420008
Energy: 0.4744287144857807
Energy: 0.4539535205839331
Energy: 0.4744287144850356
Energy: 0.4539535205843057
Energy: 0.4744287144854082
Energy: 0.4539535205843057
Energy: 0.4523735970227089
Energy: 0.42492534875982674
Energy: 0.4523735970227089
Energy: 0.4249253487590816
Energy: 0.4523735970227089
Energy: 0.4249253487594542

minimum gb energy = 0.4193772869559993 eV
minimum distance =  2.71110894630396 Angstroms
sigma value = 43


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

Energy: 0.5171685752297646
Energy: 0.44252725182709474
Energy: 0.5171685752302222
Energy: 0.44252725182709474
Energy: 0.5171685752288493
Energy: 0.44252725182709474
Energy: 0.46386630495522896
Energy: 0.4213106632647926
Energy: 0.4638663049547714
Energy: 0.42131066326433503
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Energy: 0.47035263824093393
Energy: 0.5143053569070051
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Energy: 0.4880709098063227
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Energy: 0.4501233393102972
Energy: 0.43207561840651637
Energy: 0.45012333930983955
Energy: 0.43207561840651637
Energy: 0.45012333930983955
Energy: 0.43207561840651637
Energy: 0.458203730739524
Energy: 0.44686710233403165
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Energy: 0.4576131937903522
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Energy: 0.45761319378852167
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Energy: 0.45761319378897924
Energy: 0.43482267746960096
Energy: 0.5043249782265085
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Energy: 0.5043249782269661
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Energy: 0.46690595041992916
Energy: 0.4901920015132233
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Energy: 0.49019200151368086
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Energy: 0.48448320717633964
Energy: 0.4565352412293777
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Energy: 0.4565352412293777
Energy: 0.48448320717679727
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Energy: 0.43815836903087374
Energy: 0.5136563660847666
Energy: 0.4381583690304161
Energy: 0.5136563660847666
Energy: 0.4381583690304161
Energy: 0.5136563660847666
Energy: 0.5072011718257153
Energy: 0.4558318555462452
Energy: 0.5072011718261731
Energy: 0.4558318555471605
Energy: 0.5072011718261731
Energy: 0.4558318555467028
Energy: 0.4901640754301045
Energy: 0.46363233856975083
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Energy: 0.4636323385702085
Energy: 0.4901640754301045
Energy: 0.46363233856975083
Energy: 0.46992304451281913
Energy: 0.4572436039965333
Energy: 0.46992304451236155
Energy: 0.457243603996991
Energy: 0.4699230445119039
Energy: 0.4572436039965333
Energy: 0.4182266902991246
Energy: 0.5175803859271743
Energy: 0.4182266902982094
Energy: 0.5175803859285472
Energy: 0.41822669029866705
Energy: 0.5175803859294624
Energy: 0.4488914395393821
Energy: 0.4464321500385277
Energy: 0.4488914395407549
Energy: 0.4464321500385277
Energy: 0.4488914395402973
Energy: 0.4464321500389853
Energy: 0.48790750717971876
Energy: 0.47006825208043224
Energy: 0.48790750718017634
Energy: 0.47006825208043224
Energy: 0.48790750717971876
Energy: 0.47006825208043224
Energy: 0.46780243773807145
Energy: 0.4828193624508244
Energy: 0.46780243773807145
Energy: 0.4828193624508244
Energy: 0.46780243773807145
Energy: 0.4828193624508244
Energy: 0.518198784541191
Energy: 0.4405437941909029
Energy: 0.5181987845416486
Energy: 0.44054379419410633
Energy: 0.518198784541191
Energy: 0.44054379419181816
Energy: 0.4961743834038717
Energy: 0.44740468467783734
Energy: 0.4961743834061599
Energy: 0.44740468467783734
Energy: 0.496174383404787
Energy: 0.447404684678295
Energy: 0.46756207048961557
Energy: 0.467360630901722
Energy: 0.4675620704873482
Energy: 0.467360630901722
Energy: 0.46756207048826354
Energy: 0.467360630901722
Energy: 0.4345225860606864
Energy: 0.48404101342950623
Energy: 0.43452258606022875
Energy: 0.48404101342996386
Energy: 0.4345225860606864
Energy: 0.48404101342996386
Energy: 0.49820614178407446
Energy: 0.4754594266140329
Energy: 0.4982061417845322
Energy: 0.4754594266140329
Energy: 0.49820614178407446
Energy: 0.4754594266140329
Energy: 0.41832786243732717
Energy: 0.44250182140044325
Energy: 0.41832786243641196
Energy: 0.44250182140273137
Energy: 0.4183278624368696
Energy: 0.4425018214009009
Energy: 0.4695318659066669
Energy: 0.5256884869891639
Energy: 0.4695318659066669
Energy: 0.5256884869896216
Energy: 0.4695318659066669
Energy: 0.5256884869887063
Energy: 0.43094697243536934
Energy: 0.45590482246565445
Energy: 0.43094697243582697
Energy: 0.45590482246565445
Energy: 0.43094697243582697
Energy: 0.45590482246565445
Energy: 0.4971263848571067
Energy: 0.49832494635924657
Energy: 0.4971263848571067
Energy: 0.49832494635924657
Energy: 0.49712638485664906
Energy: 0.49832494635924657
Energy: 0.45276252013546886
Energy: 0.4754023255520502
Energy: 0.45276252013546886
Energy: 0.4754023255520502
Energy: 0.45276252013546886
Energy: 0.4754023255529655
Energy: 0.48283239540557543
Energy: 0.4573632854931633
Energy: 0.48283239540557543
Energy: 0.45736328549270566
Energy: 0.482832395406033
Energy: 0.4573632854931633
Energy: 0.43096982418880875
Energy: 0.46603794857232705
Energy: 0.43096982418880875
Energy: 0.46603794857232705
Energy: 0.43096982418837193
Energy: 0.46603794857232705
Energy: 0.460521440616528
Energy: 0.4518483822823026
Energy: 0.4605214406156128
Energy: 0.45184838228413315
Energy: 0.46052144061378225
Energy: 0.4518483822836755
Energy: 0.4661306211589902
Energy: 0.45733499526985427
Energy: 0.46613062115853254
Energy: 0.4573349952671085
Energy: 0.4661306211589902
Energy: 0.4573349952693966

minimum gb energy = 0.4182266902982094 eV
minimum distance =  2.69168684449338 Angstroms
sigma value = 57


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

Energy: 0.4554591744193919
Energy: 0.4064866358460748
Energy: 0.4554591744193919
Energy: 0.4064866358454823
Energy: 0.4554591744193919
Energy: 0.4064866358460748
Energy: 0.43001384601664977
Energy: 0.38116565769737154
Energy: 0.43001384601664977
Energy: 0.381165657696779
Energy: 0.43001384601724235
Energy: 0.38116565769618643
Energy: 0.48222983746868936
Energy: 0.48422949385313074
Energy: 0.48222983746868936
Energy: 0.4842294938525382
Energy: 0.48222983746868936
Energy: 0.4842294938525382
Energy: 0.4106245578806604
Energy: 0.43181714918669994
Energy: 0.410624557874762
Energy: 0.431817149187885
Energy: 0.4106245578854006
Energy: 0.431817149187885
Energy: 0.4959833958724477
Energy: 0.4649965712747396
Energy: 0.49598339587304024
Energy: 0.464996571274147
Energy: 0.49598339587304024
Energy: 0.4649965712747396
Energy: 0.4821360106694884
Energy: 0.44992861955704483
Energy: 0.4821360106694884
Energy: 0.44992861955704483
Energy: 0.4821360106694884
Energy: 0.4499286195576374
Energy: 0.45737583358855505
Energy: 0.5243030271347705
Energy: 0.4573758335879626
Energy: 0.5243030271347705
Energy: 0.45737583358855505
Energy: 0.5243030271353629
Energy: 0.4585332191577429
Energy: 0.40995160148649706
Energy: 0.4585332191577429
Energy: 0.40995160148649706
Energy: 0.4585332191583355
Energy: 0.40995160148649706
Energy: 0.45537006514644945
Energy: 0.4277827044718961
Energy: 0.4553700651482271
Energy: 0.4277827044718961
Energy: 0.4553700651440793
Energy: 0.4277827044713035
Energy: 0.3945094864382925
Energy: 0.4254957637904955
Energy: 0.3945094864382925
Energy: 0.4254957637899029
Energy: 0.3945094864382925
Energy: 0.4254957637904955
Energy: 0.4579868880785338
Energy: 0.43281056895123843
Energy: 0.4579868880785338
Energy: 0.43281056895123843
Energy: 0.4579868880785338
Energy: 0.43281056895123843
Energy: 0.499148976229961
Energy: 0.46352616354839987
Energy: 0.499148976229961
Energy: 0.46352616354839987
Energy: 0.4991489762311461
Energy: 0.46352616354839987
Energy: 0.4445388567051206
Energy: 0.42773150297084755
Energy: 0.4445388567051206
Energy: 0.42773150297084755
Energy: 0.4445388567051206
Energy: 0.4277315029702551
Energy: 0.5133571076855257
Energy: 0.38577775799410075
Energy: 0.5133571076849331
Energy: 0.38577775799410075
Energy: 0.5133571076855257
Energy: 0.38577775799410075
Energy: 0.4528690492684689
Energy: 0.40695836961254206
Energy: 0.4528690492684689
Energy: 0.40695836961135706
Energy: 0.45286904926906146
Energy: 0.4069583696095795
Energy: 0.45584823556512355
Energy: 0.426710517975833
Energy: 0.4558482355663086
Energy: 0.42671051797642545
Energy: 0.45584823556512355
Energy: 0.426710517975833
Energy: 0.3916564986182183
Energy: 0.4305664850566554
Energy: 0.3916564986182183
Energy: 0.4305664850578404
Energy: 0.3916564986182183
Energy: 0.4305664850566554
Energy: 0.4559165978643799
Energy: 0.4444386309734335
Energy: 0.45591659786497246
Energy: 0.4444386309734335
Energy: 0.4559165978643799
Energy: 0.4444386309734335
Energy: 0.39161620252427815
Energy: 0.43074225799053595
Energy: 0.39161620252427815
Energy: 0.43074225799053595
Energy: 0.39161620252427815
Energy: 0.43074225799053595
Energy: 0.45593899783503405
Energy: 0.4266610996373253
Energy: 0.4559389978344415
Energy: 0.42666109963791776
Energy: 0.4559389978356266
Energy: 0.4266610996373253
Energy: 0.4528742113928072
Energy: 0.4068537833640403
Energy: 0.4528742113928072
Energy: 0.4068537833640403
Energy: 0.4528742113928072
Energy: 0.4068537833640403
Energy: 0.5131770869220414
Energy: 0.4221179061724829
Energy: 0.5131770869220414
Energy: 0.4221179061724829
Energy: 0.5131770869214489
Energy: 0.4221179061718903
Energy: 0.4445235648801204
Energy: 0.4276681467476481
Energy: 0.4445235648801204
Energy: 0.4276681467476481
Energy: 0.444523564880713
Energy: 0.42766814674705567
Energy: 0.498852771624175
Energy: 0.4634983512926199
Energy: 0.4988527716247676
Energy: 0.46349835129380496
Energy: 0.4988527716247676
Energy: 0.4634983512932125

minimum gb energy = 0.38116565769618643 eV
minimum distance =  2.66728341920948 Angstroms
sigma value = 17


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

Energy: 0.450249947868481
Energy: 0.3929343110523517
Energy: 0.450249947867643
Energy: 0.3929343110523517
Energy: 0.450249947867643
Energy: 0.3929343110523517
Energy: 0.4007005183710685
Energy: 0.4595172901415353
Energy: 0.40070051837190646
Energy: 0.4595172901415353
Energy: 0.40070051837190646
Energy: 0.4595172901415353
Energy: 0.4347588902399278
Energy: 0.4322674686710378
Energy: 0.4347588902399278
Energy: 0.4322674686710378
Energy: 0.4347588902399278
Energy: 0.4322674686710378
Energy: 0.41420866993906796
Energy: 0.5219654004320913
Energy: 0.41420866993906796
Energy: 0.5219654004320913
Energy: 0.41420866993906796
Energy: 0.5219654004320913
Energy: 0.44695731787868
Energy: 0.4046901843742439
Energy: 0.44695731787868
Energy: 0.4046901843750819
Energy: 0.44695731787868
Energy: 0.4046901843742439
Energy: 0.48127343355068586
Energy: 0.43367786807623143
Energy: 0.48127343355068586
Energy: 0.43367786807623143
Energy: 0.48127343355068586
Energy: 0.43367786807623143
Energy: 0.42333039308236475
Energy: 0.3859012826385146
Energy: 0.42333039308404075
Energy: 0.3859012826385146
Energy: 0.42333039308404075
Energy: 0.3859012826385146
Energy: 0.4145795500234848
Energy: 0.45032335891717906
Energy: 0.4145795500234848
Energy: 0.450323358918017
Energy: 0.4145795500234848
Energy: 0.450323358918017
Energy: 0.41582856924962097
Energy: 0.4593163299090943
Energy: 0.41582856924962097
Energy: 0.4593163299090943
Energy: 0.41582856924962097
Energy: 0.4593163299090943
Energy: 0.47794422023537514
Energy: 0.46492293637082854
Energy: 0.47794422023537514
Energy: 0.46492293637082854
Energy: 0.47794422023537514
Energy: 0.4649229363699906
Energy: 0.3969129272981603
Energy: 0.41273886798703024
Energy: 0.3969129272981603
Energy: 0.41273886798703024
Energy: 0.3969129272981603
Energy: 0.41273886798703024
Energy: 0.430828494407045
Energy: 0.42676909942712504
Energy: 0.430828494407045
Energy: 0.42676909942712504
Energy: 0.430828494407045
Energy: 0.42676909942712504
Energy: 0.4453570203994357
Energy: 0.4343929592122881
Energy: 0.4453570203994357
Energy: 0.434392959213126
Energy: 0.4453570203994357
Energy: 0.434392959213126
Energy: 0.40251778864729204
Energy: 0.42168782732355126
Energy: 0.40251778864729204
Energy: 0.42168782732355126
Energy: 0.40251778864729204
Energy: 0.42168782732438925
Energy: 0.3950364730570729
Energy: 0.4455296810286228
Energy: 0.39503647305791084
Energy: 0.44552968102778484
Energy: 0.39503647305791084
Energy: 0.44552968102778484
Energy: 0.4813179491124587
Energy: 0.5720014867450938
Energy: 0.4813179491124587
Energy: 0.5720014867450938
Energy: 0.4813179491124587
Energy: 0.5720014867442558
Energy: 0.40136770069292965
Energy: 0.42101680501993777
Energy: 0.40136770069292965
Energy: 0.42101680501993777
Energy: 0.40136770069292965
Energy: 0.42101680501993777

minimum gb energy = 0.3859012826385146 eV
minimum distance =  2.67077932533331 Angstroms
sigma value = 17


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

Energy: 0.4170825759154955
Energy: 0.3766814437479033
Energy: 0.41708257591387754
Energy: 0.3766814437479033
Energy: 0.41708257591420117
Energy: 0.3766814437479033
Energy: 0.39256636177394333
Energy: 0.36263809735010066
Energy: 0.39256636177459053
Energy: 0.3626380973497771
Energy: 0.3925663617742669
Energy: 0.36263809735010066
Energy: 0.4163524113741908
Energy: 0.42735002478321804
Energy: 0.4163524113741908
Energy: 0.42735002478289447
Energy: 0.4163524113738673
Energy: 0.42735002478354167
Energy: 0.3942174987132111
Energy: 0.3838793009464321
Energy: 0.3942174987135347
Energy: 0.3838793009464321
Energy: 0.3942174987138289
Energy: 0.3838793009464321
Energy: 0.38429660843559577
Energy: 0.42204361282419695
Energy: 0.38429660842750596
Energy: 0.42204361282419695
Energy: 0.38429660842071056
Energy: 0.42204361282354974
Energy: 0.38819210555854783
Energy: 0.36299699473501335
Energy: 0.38819210555854783
Energy: 0.3629969947346899
Energy: 0.38819210555854783
Energy: 0.36299699473501335
Energy: 0.3796574996229496
Energy: 0.43469356362890754
Energy: 0.379657499622626
Energy: 0.43469356362890754
Energy: 0.379657499622626
Energy: 0.43469356362858397
Energy: 0.4189728104695191
Energy: 0.44088025796464886
Energy: 0.41897281046887197
Energy: 0.4408802579643253
Energy: 0.41897281046919554
Energy: 0.4408802579640017
Energy: 0.46607479735410906
Energy: 0.393053729134646
Energy: 0.46607479735410906
Energy: 0.39305372913496955
Energy: 0.46607479735410906
Energy: 0.393053729134646
Energy: 0.38000414322689824
Energy: 0.4029592368807879
Energy: 0.3800041432275455
Energy: 0.4029592368807879
Energy: 0.3800041432252803
Energy: 0.40295923688046426
Energy: 0.4074565203564075
Energy: 0.4268172407344557
Energy: 0.4074565203560839
Energy: 0.4268172407344557
Energy: 0.4074565203560839
Energy: 0.4268172407347793
Energy: 0.4157354668818756
Energy: 0.4239204428528773
Energy: 0.41573546688219926
Energy: 0.4239204428532009
Energy: 0.41573546688219926
Energy: 0.42392044285352454
Energy: 0.44018862312907237
Energy: 0.4368378612460283
Energy: 0.44018862312874873
Energy: 0.4368378612463518
Energy: 0.44018862312874873
Energy: 0.4368378612460283
Energy: 0.4376130246945666
Energy: 0.3773760006149672
Energy: 0.43761302469424307
Energy: 0.37737600061529075
Energy: 0.4376130246945666
Energy: 0.3773760006156144
Energy: 0.4126862670593712
Energy: 0.40853210986746136
Energy: 0.41268626705969486
Energy: 0.4085321098687557
Energy: 0.41268626705969486
Energy: 0.4085321098687557
Energy: 0.4121664272921108
Energy: 0.4107817970852853
Energy: 0.4121664272917872
Energy: 0.4107817970849617
Energy: 0.4121664272921108
Energy: 0.41428612121660374
Energy: 0.37645881241023477
Energy: 0.38494626712180957
Energy: 0.37645881240991114
Energy: 0.3849462671221332
Energy: 0.37645881241023477
Energy: 0.38494626712180957
Energy: 0.449377412379203
Energy: 0.40871269038578123
Energy: 0.4493774123795266
Energy: 0.40871269038578123
Energy: 0.449377412379203
Energy: 0.4087126903864284
Energy: 0.4358111719576731
Energy: 0.39102733704159187
Energy: 0.4358111719544372
Energy: 0.39102733703932674
Energy: 0.4358111719560551
Energy: 0.391027337036738
Energy: 0.3760311793314458
Energy: 0.382650961552059
Energy: 0.3760311793314458
Energy: 0.38979238154586093
Energy: 0.3760311793317694
Energy: 0.38979238154586093
Energy: 0.43584316399931755
Energy: 0.3907615262376207
Energy: 0.43584316399931755
Energy: 0.3907615262260009
Energy: 0.43584316399931755
Energy: 0.3907615262263245
Energy: 0.4495342193292298
Energy: 0.4082780879744526
Energy: 0.4495342193285826
Energy: 0.40827808797283466
Energy: 0.4495342193285826
Energy: 0.4082780879747762
Energy: 0.3765036109402035
Energy: 0.3849020407746481
Energy: 0.3765036109402035
Energy: 0.38490204077497175
Energy: 0.3765036109402035
Energy: 0.38490204077497175
Energy: 0.41220367706956673
Energy: 0.42856895470106615
Energy: 0.41220367706989025
Energy: 0.4285689547030077
Energy: 0.41220367706956673
Energy: 0.42856895470106615
Energy: 0.4125924877285738
Energy: 0.40828110138427853
Energy: 0.41259248772760304
Energy: 0.40828110138366075
Energy: 0.4125924877259851
Energy: 0.40828110138366075
Energy: 0.43726099104174876
Energy: 0.37758688768243365
Energy: 0.43726099104145455
Energy: 0.37758688768243365
Energy: 0.43726099104174876
Energy: 0.3775868876827572
Energy: 0.44028720003432653
Energy: 0.4370487798691041
Energy: 0.44028720003465005
Energy: 0.4370487798691041
Energy: 0.44028720003432653
Energy: 0.4370487798691041
Energy: 0.4155805232465683
Energy: 0.42394333638693754
Energy: 0.41558052324624467
Energy: 0.42394333638693754
Energy: 0.41558052324624467
Energy: 0.42394333638693754
Energy: 0.4075298527953586
Energy: 0.4236693703770993
Energy: 0.4075298527953586
Energy: 0.4236693703770993
Energy: 0.4075298527953586
Energy: 0.42366937038065877
Energy: 0.3801268669314405
Energy: 0.40876503533584085
Energy: 0.38012686693208775
Energy: 0.40876503533584085
Energy: 0.3801268669314405
Energy: 0.40876503533584085
Energy: 0.4660588278025437
Energy: 0.39304984605482907
Energy: 0.4660588278025437
Energy: 0.3930498460583886
Energy: 0.4660588278025437
Energy: 0.3930498460567706
Energy: 0.4191998050376704
Energy: 0.4386035064429258
Energy: 0.4191998050376704
Energy: 0.4386035064422786
Energy: 0.4191998050376704
Energy: 0.43860350644260215
Energy: 0.3798478869771962
Energy: 0.434700349807164
Energy: 0.379847886976549
Energy: 0.434700349807164
Energy: 0.3798478869771962
Energy: 0.434700349807164
Energy: 0.3882858166966721
Energy: 0.36292848071973205
Energy: 0.3882858166966721
Energy: 0.36292848072005557
Energy: 0.3882858166966721
Energy: 0.36292848072005557
Energy: 0.3845942266284026
Energy: 0.4221725562404714
Energy: 0.3845942266238723
Energy: 0.4221725562420893
Energy: 0.38459422662549025
Energy: 0.4221725562414421
Energy: 0.3944102549565888
Energy: 0.38382085649679637
Energy: 0.394410254957236
Energy: 0.38382085649712
Energy: 0.39441025495691245
Energy: 0.38382085649712
Energy: 0.4165982855226299
Energy: 0.4274025894301065
Energy: 0.4165982855226299
Energy: 0.4274025894301065
Energy: 0.4165982855226299
Energy: 0.42740258943043014
Energy: 0.3926646989884389
Energy: 0.42168495970328107
Energy: 0.392664698985203
Energy: 0.42168495970328107
Energy: 0.3926646989842322
Energy: 0.4216849597036047
Energy: 0.41708257591420117
Energy: 0.37668144374757967
Energy: 0.41708257591387754
Energy: 0.37668144374725604
Energy: 0.41708257591420117
Energy: 0.3766814437479033
Energy: 0.3925663617736197
Energy: 0.3626380973513951
Energy: 0.39256636177394333
Energy: 0.3626380973520422
Energy: 0.3925663617736197
Energy: 0.36263809735042424
Energy: 0.4163524113741908
Energy: 0.42735002478321804
Energy: 0.4163524113738673
Energy: 0.42735002478289447
Energy: 0.4163524113738673
Energy: 0.42735002478321804
Energy: 0.3942174987135347
Energy: 0.4005797054857379
Energy: 0.3942174987135347
Energy: 0.4005797054857379
Energy: 0.3942174987135347
Energy: 0.4005797054857379
Energy: 0.38429660838382107
Energy: 0.4220436128245206
Energy: 0.384296608401295
Energy: 0.42204361282419695
Energy: 0.3842966084022658
Energy: 0.42204361282419695

minimum gb energy = 0.3626380973497771 eV
minimum distance =  2.64691314621562 Angstroms
sigma value = 57


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

Energy: 0.39331243282758577
Energy: 0.3562323255672496
Energy: 0.3933124328281126
Energy: 0.35623232556672274
Energy: 0.3933124328281126
Energy: 0.35623232556672274
Energy: 0.36707763847119496
Energy: 0.39581743989884116
Energy: 0.36707763847330244
Energy: 0.395817439899368
Energy: 0.36707763847172187
Energy: 0.395817439899368
Energy: 0.40379956487860696
Energy: 0.4040910067976014
Energy: 0.40379956487860696
Energy: 0.40409100679812826
Energy: 0.40379956487860696
Energy: 0.4040910067976014
Energy: 0.3768100495781919
Energy: 0.388626922056421
Energy: 0.3768100495781919
Energy: 0.3886269220569479
Energy: 0.37681004957766495
Energy: 0.388626922056421
Energy: 0.3557942271414556
Energy: 0.37890414678652745
Energy: 0.35579422714303627
Energy: 0.37890414678652745
Energy: 0.35579422714198256
Energy: 0.37890414678705436
Energy: 0.3773842657450324
Energy: 0.347367270981108
Energy: 0.3773842657450324
Energy: 0.3473672709805811
Energy: 0.3773842657450324
Energy: 0.347367270981108
Energy: 0.38234618231186007
Energy: 0.4140623195997983
Energy: 0.38234618231186007
Energy: 0.4140623195997983
Energy: 0.38234618231291384
Energy: 0.4140623195997983
Energy: 0.4010074165100419
Energy: 0.40643835977728404
Energy: 0.40100741651109567
Energy: 0.40643835977728404
Energy: 0.40100741651109567
Energy: 0.40643835977781095
Energy: 0.3970240888693194
Energy: 0.3484680933669196
Energy: 0.3970240888693194
Energy: 0.34846809337060775
Energy: 0.3970240888693194
Energy: 0.34846809336797335
Energy: 0.3581115269570141
Energy: 0.4017530591876462
Energy: 0.3581115269580679
Energy: 0.40175305918711923
Energy: 0.35811152695754106
Energy: 0.4017530591876462
Energy: 0.3365664098857008
Energy: 0.4206902450528511
Energy: 0.3365664098862277
Energy: 0.42069024505337793
Energy: 0.3365664098862277
Energy: 0.42069024505337793
Energy: 0.36470478528721717
Energy: 0.3824365736037661
Energy: 0.36470478528721717
Energy: 0.38243657360218547
Energy: 0.36470478528721717
Energy: 0.38243657360323924
Energy: 0.35658605448264385
Energy: 0.4021353517251971
Energy: 0.3565860544831707
Energy: 0.4021353517251971
Energy: 0.35658605448211694
Energy: 0.40213535172572407
Energy: 0.38428847094703317
Energy: 0.3668898097072771
Energy: 0.3842884709475601
Energy: 0.3668898097072771
Energy: 0.38428847094703317
Energy: 0.36688980970569635
Energy: 0.39886161629501116
Energy: 0.4157034854711842
Energy: 0.39886161629395733
Energy: 0.4157034854701305
Energy: 0.39886161629501116
Energy: 0.4157034854711842
Energy: 0.40312993703132244
Energy: 0.4203195845081599
Energy: 0.4031299370323762
Energy: 0.4203195845092137
Energy: 0.4031299370323762
Energy: 0.4203195845086868
Energy: 0.4102088186327283
Energy: 0.41439191529556735
Energy: 0.41020881863325515
Energy: 0.4143919152950405
Energy: 0.4102088186327283
Energy: 0.41439191529556735
Energy: 0.39201540009027264
Energy: 0.3888756765205616
Energy: 0.39201540009027264
Energy: 0.3888756765205616
Energy: 0.3920154000907995
Energy: 0.3888756765205616
Energy: 0.3896305819746817
Energy: 0.382296280693902
Energy: 0.3896305819746817
Energy: 0.3822962807102354
Energy: 0.3896305819746817
Energy: 0.38229628071550426
Energy: 0.39043194159175787
Energy: 0.38221641341424284
Energy: 0.3904319415922847
Energy: 0.38221641341424284
Energy: 0.390431941591231
Energy: 0.3822164134137159
Energy: 0.4199220973583205
Energy: 0.3842354343890291
Energy: 0.4199220973583205
Energy: 0.3842354343890291
Energy: 0.4199220973577936
Energy: 0.38423543439008284
Energy: 0.3816184475458398
Energy: 0.38140523291158634
Energy: 0.3816184475463667
Energy: 0.38140523291105943
Energy: 0.3816184475463667
Energy: 0.3814052329121133
Energy: 0.3592561992100913
Energy: 0.3619974795144489
Energy: 0.3592561992100913
Energy: 0.3619974795144489
Energy: 0.3592561992100913
Energy: 0.3619974795144489
Energy: 0.4141431573528824
Energy: 0.4901939175355338
Energy: 0.4141431573528824
Energy: 0.4901939175365876
Energy: 0.4141431573528824
Energy: 0.49019391753764135
Energy: 0.408080164327018
Energy: 0.47064350229182056
Energy: 0.40808016432649113
Energy: 0.47064350229182056
Energy: 0.40808016432649113
Energy: 0.4706435022923474
Energy: 0.355130808108069
Energy: 0.3622413565447063
Energy: 0.35513080810701525
Energy: 0.3622413565452332
Energy: 0.35513080810859593
Energy: 0.3622413565447063
Energy: 0.38761533244096
Energy: 0.38225329654133144
Energy: 0.3876153324420138
Energy: 0.38225329654080464
Energy: 0.38761533244096
Energy: 0.3822532965365895

minimum gb energy = 0.3365664098857008 eV
minimum distance =  2.64665082733173 Angstroms
sigma value = 43


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

Energy: 0.39652463581932473
Energy: 0.334279691084908
Energy: 0.39652463581970865
Energy: 0.334279691084908
Energy: 0.39652463582009245
Energy: 0.3342796910837563
Energy: 0.3686854209723464
Energy: 0.37222682623926756
Energy: 0.3686854209727303
Energy: 0.37222682623926756
Energy: 0.3686854209723464
Energy: 0.37222682623926756
Energy: 0.3664850987333389
Energy: 0.3715743994508254
Energy: 0.3664850987337228
Energy: 0.3715743994512093
Energy: 0.3664850987333389
Energy: 0.3715743994512093
Energy: 0.37934145165818856
Energy: 0.34724991956227225
Energy: 0.3793414516589564
Energy: 0.34724991956227225
Energy: 0.3793414516589564
Energy: 0.34724991956227225
Energy: 0.36487382534174095
Energy: 0.3528801517773364
Energy: 0.3648738253413571
Energy: 0.35288015177772025
Energy: 0.36487382534212487
Energy: 0.3528801517773364
Energy: 0.34215184411217436
Energy: 0.32139490031242873
Energy: 0.3421518441125582
Energy: 0.3213949003116609
Energy: 0.34215184411217436
Energy: 0.3213949003120448
Energy: 0.3863774755295154
Energy: 0.3674590756082992
Energy: 0.38637747552989926
Energy: 0.36745907560791535
Energy: 0.38637747552989926
Energy: 0.36745907560791535
Energy: 0.4463725197841754
Energy: 0.3527855352698944
Energy: 0.4463725197849432
Energy: 0.35278553527027834
Energy: 0.4463725197845594
Energy: 0.3527855352698944
Energy: 0.32637169604598715
Energy: 0.32016542174828716
Energy: 0.326371696046371
Energy: 0.32016542174790324
Energy: 0.32637169604598715
Energy: 0.32016542174828716
Energy: 0.32820368725680743
Energy: 0.35076052229645993
Energy: 0.32820368725642357
Energy: 0.35076052229645993
Energy: 0.32820368725680743
Energy: 0.35076052229645993
Energy: 0.4065099456949655
Energy: 0.3865950719349304
Energy: 0.40650994569534943
Energy: 0.3865950719349304
Energy: 0.40650994569573323
Energy: 0.3865950719349304
Energy: 0.34421627523932424
Energy: 0.32144335982854844
Energy: 0.34421627523932424
Energy: 0.3214433598281646
Energy: 0.34421627523932424
Energy: 0.32144335982970007
Energy: 0.3278903071269951
Energy: 0.34374015953780157
Energy: 0.32789030712661116
Energy: 0.3437401595374177
Energy: 0.3278903071258433
Energy: 0.3437401595374177
Energy: 0.4095967108390997
Energy: 0.38873977480905736
Energy: 0.40959671083833193
Energy: 0.38873977480944133
Energy: 0.4095967108394837
Energy: 0.38873977480905736
Energy: 0.3507906778288177
Energy: 0.3194392783382115
Energy: 0.3507906778292016
Energy: 0.31943927834051483
Energy: 0.3507906778288177
Energy: 0.3194392783401309
Energy: 0.33217954202681943
Energy: 0.338782800766921
Energy: 0.33217954202720335
Energy: 0.33878280076653716
Energy: 0.33217954202720335
Energy: 0.33878280076653716
Energy: 0.3616880836017827
Energy: 0.3882207527279659
Energy: 0.3616880836017827
Energy: 0.3882207527283498
Energy: 0.3616880836017827
Energy: 0.3882207527279659
Energy: 0.33232793909681196
Energy: 0.3523572254790641
Energy: 0.33232793909681196
Energy: 0.35235722547944803
Energy: 0.33232793909681196
Energy: 0.3523572254790641
Energy: 0.3225962567811988
Energy: 0.36437060440996893
Energy: 0.3225962567811988
Energy: 0.36437060440996893
Energy: 0.322596256780431
Energy: 0.36437060440958496
Energy: 0.3663614034444491
Energy: 0.32605779480694425
Energy: 0.3663614034444491
Energy: 0.32605779480540864
Energy: 0.3663614034440652
Energy: 0.32605779480694425
Energy: 0.35815729086550957
Energy: 0.31690069025054196
Energy: 0.35815729086550957
Energy: 0.31690069025169365
Energy: 0.3581572908658935
Energy: 0.3169006902501581
Energy: 0.3760144498764667
Energy: 0.3723136397921457
Energy: 0.37601444987685056
Energy: 0.3723136397921457
Energy: 0.3760144498764667
Energy: 0.3723136397925296
Energy: 0.36994795980515793
Energy: 0.3678767885574379
Energy: 0.36994795980554185
Energy: 0.3678767885574379
Energy: 0.36994795980323847
Energy: 0.3678767885574379
Energy: 0.3557333153119565
Energy: 0.38235549148094833
Energy: 0.3557333153123403
Energy: 0.38235549148555503
Energy: 0.3557333153123403
Energy: 0.38235549148056447
Energy: 0.3587107972142413
Energy: 0.32236309385870954
Energy: 0.3587107972142413
Energy: 0.3223630938506478
Energy: 0.35871079721462523
Energy: 0.32236309384719286
Energy: 0.3494348006523518
Energy: 0.35019394397654385
Energy: 0.34943480065273574
Energy: 0.35019394397654385
Energy: 0.3494348006523518
Energy: 0.35019394397654385
Energy: 0.352178598338405
Energy: 0.36632201072374765
Energy: 0.3521785983387888
Energy: 0.3663220107225959
Energy: 0.3482379732516126
Energy: 0.3663220107241315
Energy: 0.3282543250108593
Energy: 0.3594966480386599
Energy: 0.32825432501124324
Energy: 0.3594966480386599
Energy: 0.32825432501047547
Energy: 0.3594966480378922
Energy: 0.31605927927525657
Energy: 0.32608328968622174
Energy: 0.31605927927372107
Energy: 0.32608328968622174
Energy: 0.31605927927295324
Energy: 0.32608328968622174
Energy: 0.34989842142460986
Energy: 0.36146362215443045
Energy: 0.349898421424226
Energy: 0.36146362215443045
Energy: 0.34989842142460986
Energy: 0.36146362215443045
Energy: 0.3249586330398975
Energy: 0.4534455519294453
Energy: 0.32495863304028144
Energy: 0.4534455519294453
Energy: 0.34374197818142915
Energy: 0.4534455519294453
Energy: 0.31640183212098116
Energy: 0.3164078600502254
Energy: 0.31640183212098116
Energy: 0.3164078600494576
Energy: 0.31640183212098116
Energy: 0.3164078600502254
Energy: 0.34326717098122783
Energy: 0.32012506980482824
Energy: 0.34326717098084397
Energy: 0.32012506979599875
Energy: 0.34326717098122783
Energy: 0.3201250697994538
Energy: 0.4048043851251472
Energy: 0.40119494260103067
Energy: 0.40480438512476336
Energy: 0.4011949426006468
Energy: 0.4048043851251472
Energy: 0.4011949426017985
Energy: 0.31719897682725706
Energy: 0.35322452127918086
Energy: 0.3171989768276409
Energy: 0.353224521278797
Energy: 0.3171989768276409
Energy: 0.353224521278797
Energy: 0.32525657954399584
Energy: 0.31925823584534596
Energy: 0.32525657954399584
Energy: 0.31925823584496205
Energy: 0.32525657954437975
Energy: 0.31925823584534596

minimum gb energy = 0.31605927927295324 eV
minimum distance =  2.6322197292305 Angstroms
sigma value = 81


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

Energy: 0.08651912389557952
Energy: 0.10814931406143787
Energy: 0.08651912389557952
Energy: 0.10814931406143787
Energy: 0.08651912389557952
Energy: 0.10814931406143787
Energy: 0.3501282858818597
Energy: 0.08687421363194842
Energy: 0.35012828588142686
Energy: 0.08687421363097068
Energy: 0.35012828587733963
Energy: 0.08687421363182019
Energy: 0.3501291395047158
Energy: 0.0872651263921939
Energy: 0.3501291394951308
Energy: 0.08726512639177718
Energy: 0.35012913950527685
Energy: 0.0872651263907834
Energy: 0.08651912389557952
Energy: 0.10814931406143787
Energy: 0.08651912389557952
Energy: 0.10814931406158212
Energy: 0.08651912389557952
Energy: 0.10814931406158212
Energy: 0.3501282858776281
Energy: 0.08687421363350317
Energy: 0.3501282858818597
Energy: 0.08687421363462516
Energy: 0.3501282858815712
Energy: 0.08687421363294218
Energy: 0.35012913950457153
Energy: 0.08726512639304343
Energy: 0.3501291395051325
Energy: 0.08726512639248243
Energy: 0.3501291395044433
Energy: 0.0872651263927549
Energy: 0.08651912389557952
Energy: 0.10814931406158212
Energy: 0.08651912389557952
Energy: 0.10814931406158212
Energy: 0.08651912389557952
Energy: 0.10814931406143787
Energy: 0.3501282858772114
Energy: 0.0868742136363242
Energy: 0.3501282858818597
Energy: 0.08687421363393595
Energy: 0.35012828588200395
Energy: 0.08687421363449695
Energy: 0.35012913950527685
Energy: 0.0872651263919054
Energy: 0.3501291395047158
Energy: 0.0872651263913444
Energy: 0.3501291395051325
Energy: 0.08726512639248243
Energy: 0.08651912389557952
Energy: 0.10814931406143787
Energy: 0.08651912389557952
Energy: 0.10814931406143787
Energy: 0.08651912389557952
Energy: 0.10814931406143787

minimum gb energy = 0.08651912389557952 eV
minimum distance =  2.83469005259529 Angstroms
sigma value = 3


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

Energy: 0.4150692157041935
Energy: 0.3266126081504142
Energy: 0.41506921570461563
Energy: 0.3266126081499921
Energy: 0.4150692157041935
Energy: 0.3266126081499921
Energy: 0.34881736276845865
Energy: 0.3068237624350601
Energy: 0.3488173627688807
Energy: 0.30682376243757353
Energy: 0.3488173627688807
Energy: 0.3068237624379956
Energy: 0.36934888816916805
Energy: 0.30517587114524247
Energy: 0.34310810413003046
Energy: 0.30517587114524247
Energy: 0.3682069178552147
Energy: 0.30517587114524247
Energy: 0.3465240116133391
Energy: 0.33340826571874016
Energy: 0.34652401161291707
Energy: 0.33340826571874016
Energy: 0.3465240116095402
Energy: 0.3334082657191623
Energy: 0.293966701858612
Energy: 0.3294555412649375
Energy: 0.2939667018590342
Energy: 0.32945554126367116
Energy: 0.2939667018590342
Energy: 0.3294555412653596
Energy: 0.3359243460369617
Energy: 0.34669736228571163
Energy: 0.3359243460369617
Energy: 0.3466973622861338
Energy: 0.3359243460369617
Energy: 0.3466973622852896
Energy: 0.29684578753449514
Energy: 0.33060214685120376
Energy: 0.29684578753196256
Energy: 0.3306021468503596
Energy: 0.2968457875328067
Energy: 0.3306021468507817
Energy: 0.29491347196960527
Energy: 0.3291173116605364
Energy: 0.29491347196960527
Energy: 0.3291173116622248
Energy: 0.29491347196960527
Energy: 0.3291173116618027
Energy: 0.3388353884887229
Energy: 0.33201722220073615
Energy: 0.3388353884887229
Energy: 0.33201722220284663
Energy: 0.338835388489145
Energy: 0.33201722220284663
Energy: 0.32018533539614774
Energy: 0.35174358301818376
Energy: 0.32018533539614774
Energy: 0.35174358301818376
Energy: 0.32018533539614774
Energy: 0.35174358301860575
Energy: 0.3545450438912218
Energy: 0.3776038784846318
Energy: 0.3545450438912218
Energy: 0.37760387848378757
Energy: 0.3545450438912218
Energy: 0.3776038784846318
Energy: 0.3865731417738491
Energy: 0.3639174972247903
Energy: 0.3865731417738491
Energy: 0.3639174972239461
Energy: 0.3865731417738491
Energy: 0.3639174972243682
Energy: 0.32554205076668724
Energy: 0.3379394250064481
Energy: 0.32554205076626513
Energy: 0.3379394250064481
Energy: 0.3255420507675314
Energy: 0.3379394250064481
Energy: 0.31518965078828853
Energy: 0.34182639700952616
Energy: 0.3151896507878664
Energy: 0.3418263970091041
Energy: 0.31518965078828853
Energy: 0.341826397008682
Energy: 0.3457686263179993
Energy: 0.3450421605678221
Energy: 0.3457686263179993
Energy: 0.34504216056824416
Energy: 0.3457686263179993
Energy: 0.3450421605678221
Energy: 0.3249874060448053
Energy: 0.34963827050955015
Energy: 0.32498740604438314
Energy: 0.34963827050955015
Energy: 0.3249874060439611
Energy: 0.34963827050955015
Energy: 0.3671527089577584
Energy: 0.30634517950877593
Energy: 0.3671527089577584
Energy: 0.30634517951046436
Energy: 0.3671527089577584
Energy: 0.30634517950962015
Energy: 0.3096941357227231
Energy: 0.32932963479949723
Energy: 0.3096941357227231
Energy: 0.32932963480034133
Energy: 0.3096941357223009
Energy: 0.3293296347978088
Energy: 0.3452849512279903
Energy: 0.3001169343326933
Energy: 0.3452849512279903
Energy: 0.3001169343326933
Energy: 0.3452849512279903
Energy: 0.3001169343326933
Energy: 0.341310329349682
Energy: 0.3634790778453776
Energy: 0.341310329349682
Energy: 0.363479077847066
Energy: 0.341310329349682
Energy: 0.3634790778453776
Energy: 0.32231064715507607
Energy: 0.3090851601564894
Energy: 0.3223106471554981
Energy: 0.3090851601560673
Energy: 0.32231064715507607
Energy: 0.3090851601564894
Energy: 0.35863017950519666
Energy: 0.357925076839631
Energy: 0.35863017950477455
Energy: 0.357925076839209
Energy: 0.35863017950519666
Energy: 0.357925076839209
Energy: 0.3460495830026369
Energy: 0.3632078548180359
Energy: 0.3460495830026369
Energy: 0.36320785481761386
Energy: 0.3460495830026369
Energy: 0.36320785481761386
Energy: 0.35164163443139085
Energy: 0.30044995193333773
Energy: 0.35164163443139085
Energy: 0.3004499519337598
Energy: 0.35164163443096874
Energy: 0.30044995193291557
Energy: 0.3243807280548659
Energy: 0.34221110437520136
Energy: 0.32438072805444373
Energy: 0.34221110437435714
Energy: 0.32438072805444373
Energy: 0.3422111043756234
Energy: 0.325215168550624
Energy: 0.3293918752639646
Energy: 0.325215168550624
Energy: 0.3293918752648088
Energy: 0.325215168550624
Energy: 0.3293918752639646
Energy: 0.3938838484557032
Energy: 0.3008917300921412
Energy: 0.3938838484557032
Energy: 0.30089173009171916
Energy: 0.39388384845528107
Energy: 0.30089173009256326
Energy: 0.3204851260676867
Energy: 0.36962487360720986
Energy: 0.32048512606810875
Energy: 0.36962487360720986
Energy: 0.3204851260676867
Energy: 0.36962487360720986
Energy: 0.31218586491034844
Energy: 0.32940517718460105
Energy: 0.3121858649107705
Energy: 0.32940517718460105
Energy: 0.3121858649107705
Energy: 0.32940517718460105
Energy: 0.401493928745183
Energy: 0.3162549216511485
Energy: 0.401493928745183
Energy: 0.3162549216507264
Energy: 0.4014939287456051
Energy: 0.3162549216503043
Energy: 0.3378344027425003
Energy: 0.36218156753279274
Energy: 0.33783440274207827
Energy: 0.36218156753279274
Energy: 0.33783440274207827
Energy: 0.36218156753237063
Energy: 0.3483390392199408
Energy: 0.31845062088501686
Energy: 0.34833903922036286
Energy: 0.31845062088501686
Energy: 0.3483390392199408
Energy: 0.31845062088501686
Energy: 0.3788111715769959
Energy: 0.3211386400333137
Energy: 0.3788111715769959
Energy: 0.3211386400333137
Energy: 0.37881117157657374
Energy: 0.3211386400333137

minimum gb energy = 0.293966701858612 eV
minimum distance =  2.67703187346389 Angstroms
sigma value = 67


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

Energy: 0.3740175603348788
Energy: 0.3844285709679472
Energy: 0.37401756033608174
Energy: 0.3844285709691501
Energy: 0.37401756033608174
Energy: 0.3844285709691501
Energy: 0.39877451328909713
Energy: 0.3973674271581764
Energy: 0.39877451328909713
Energy: 0.3973674271581764
Energy: 0.39877451328909713
Energy: 0.3973674271581764
Energy: 0.44113251315040525
Energy: 0.3995373991396538
Energy: 0.44113251315040525
Energy: 0.3995373991396538
Energy: 0.4146150797759144
Energy: 0.3995373991396538
Energy: 0.45069546509039526
Energy: 0.3762977100574118
Energy: 0.4506954650909968
Energy: 0.3762977100574118
Energy: 0.45069546509039526
Energy: 0.3762977100574118
Energy: 0.4031346377076735
Energy: 0.39005351455608944
Energy: 0.4031346377076735
Energy: 0.39005351455669085
Energy: 0.4031346377076735
Energy: 0.39005351455669085
Energy: 0.41817510276682107
Energy: 0.41411960363126255
Energy: 0.41817510276682107
Energy: 0.41411960363126255
Energy: 0.41817510276682107
Energy: 0.41411960363126255
Energy: 0.38968085668984714
Energy: 0.4252989964428791
Energy: 0.3896808566904486
Energy: 0.4252989964428791
Energy: 0.38968085669105007
Energy: 0.4252989964434805
Energy: 0.4336678434545012
Energy: 0.4027803605168466
Energy: 0.4336678434551027
Energy: 0.4027803605162452
Energy: 0.4336678434545012
Energy: 0.4027803605168466
Energy: 0.4202013112554012
Energy: 0.440301069869695
Energy: 0.4202013112554012
Energy: 0.4403010698708979
Energy: 0.42020131125479976
Energy: 0.4403010698708979
Energy: 0.3630804846744869
Energy: 0.40529331325001405
Energy: 0.3630804846738855
Energy: 0.40529331325001405
Energy: 0.3630804846744869
Energy: 0.40529331325001405
Energy: 0.38031406783783467
Energy: 0.43675297596204254
Energy: 0.38031406783783467
Energy: 0.43675297596204254
Energy: 0.38031406783903754
Energy: 0.43675297596204254
Energy: 0.39026203204909576
Energy: 0.4246657315240153
Energy: 0.39026203204909576
Energy: 0.42466573152461673
Energy: 0.39026203204969717
Energy: 0.42466573152461673
Energy: 0.3926832403477477
Energy: 0.43242065702278887
Energy: 0.3926832403477477
Energy: 0.43242065702278887
Energy: 0.3926832403477477
Energy: 0.43242065702278887
Energy: 0.38483202870561833
Energy: 0.46725339625648826
Energy: 0.38483202870561833
Energy: 0.46725339625648826
Energy: 0.38483202870561833
Energy: 0.46725339625648826
Energy: 0.3953321596596375
Energy: 0.39671113231941363
Energy: 0.3953321596590362
Energy: 0.39671113231941363
Energy: 0.3953321596596375
Energy: 0.39671113231941363
Energy: 0.3942898945893638
Energy: 0.38661184576407737
Energy: 0.39428989459116814
Energy: 0.38661184576407737
Energy: 0.3942898945893638
Energy: 0.38661184576407737
Energy: 0.38418770491223836
Energy: 0.3979354940450258
Energy: 0.3841877049128397
Energy: 0.3979354940444244
Energy: 0.38418770491223836
Energy: 0.3979354940450258
Energy: 0.41030330006842125
Energy: 0.3430214673459098
Energy: 0.41030330006842125
Energy: 0.3430214673459098
Energy: 0.4103033000678199
Energy: 0.34302146734651123
Energy: 0.42961645632814416
Energy: 0.4346525417620204
Energy: 0.42961645632814416
Energy: 0.4346525417620204
Energy: 0.42961645632814416
Energy: 0.4346525417620204
Energy: 0.419416615683994
Energy: 0.37102911554496437
Energy: 0.419416615683994
Energy: 0.3710291155443629
Energy: 0.419416615683994
Energy: 0.37102911554316004
Energy: 0.42084176513576055
Energy: 0.352605828493258
Energy: 0.420841765138139
Energy: 0.352605828493258
Energy: 0.42084176513874044
Energy: 0.352605828493258
Energy: 0.4507983879246678
Energy: 0.43812950887915614
Energy: 0.4507983879246678
Energy: 0.43812950887915614
Energy: 0.4507983879246678
Energy: 0.43812950887915614
Energy: 0.36275297483314733
Energy: 0.3705531471489034
Energy: 0.36275297483314733
Energy: 0.3705531471489034
Energy: 0.362752974832546
Energy: 0.3705531471489034

minimum gb energy = 0.3430214673459098 eV
minimum distance =  2.68244808953263 Angstroms
sigma value = 33


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

Energy: 0.4870574648496651
Energy: 0.39025893811892054
Energy: 0.4870574648504282
Energy: 0.39025893811892054
Energy: 0.48705746485004664
Energy: 0.39025893811892054
Energy: 0.420695167151672
Energy: 0.42517155529825007
Energy: 0.42069516715205346
Energy: 0.42517155529825007
Energy: 0.42069516715205346
Energy: 0.42517155529786854
Energy: 0.46016143974858414
Energy: 0.4260025789426427
Energy: 0.4601614397482026
Energy: 0.4260025789426427
Energy: 0.46016143974858414
Energy: 0.4260025789430243
Energy: 0.47079583298243805
Energy: 0.39527982731084743
Energy: 0.47079583298243805
Energy: 0.3952798273104659
Energy: 0.47079583298243805
Energy: 0.39527982731084743
Energy: 0.45040312524772474
Energy: 0.44646867571711435
Energy: 0.45040312524772474
Energy: 0.4464686757167327
Energy: 0.45040312524772474
Energy: 0.44646867571711435
Energy: 0.5015492818258823
Energy: 0.47120308535133143
Energy: 0.5015492818262639
Energy: 0.48947765880904875
Energy: 0.5015492818258823
Energy: 0.4673656696740489
Energy: 0.4222285337316839
Energy: 0.46848493082725456
Energy: 0.4222285337316839
Energy: 0.46848493082725456
Energy: 0.4222285337316839
Energy: 0.46848493082725456
Energy: 0.41247171921318626
Energy: 0.4732181165581278
Energy: 0.4124717192128047
Energy: 0.4732181165581278
Energy: 0.41247171921318626
Energy: 0.4732181165581278
Energy: 0.42331178426205524
Energy: 0.46665350311592696
Energy: 0.4233117842624367
Energy: 0.46665350311592696
Energy: 0.42331178426205524
Energy: 0.46665350311592696
Energy: 0.42292384928827403
Energy: 0.47527817589790294
Energy: 0.4229238492878925
Energy: 0.3910899627641349
Energy: 0.42292384928827403
Energy: 0.4262068439818522
Energy: 0.4140305778508708
Energy: 0.48103031354650616
Energy: 0.4140305778508708
Energy: 0.48103031354650616
Energy: 0.4140305778508708
Energy: 0.48103031354650616
Energy: 0.42202042785985355
Energy: 0.4281642341925668
Energy: 0.42202042785985355
Energy: 0.4281642341925668
Energy: 0.42202042785985355
Energy: 0.4281642341921852
Energy: 0.44131645774078376
Energy: 0.3922817167755769
Energy: 0.44131645774307304
Energy: 0.3922817167755769
Energy: 0.44131645774116535
Energy: 0.3922817167755769
Energy: 0.42062972424142014
Energy: 0.424217548736306
Energy: 0.4206297242418017
Energy: 0.42421754873592443
Energy: 0.42062972424142014
Energy: 0.4242175487355429
Energy: 0.43917293843253613
Energy: 0.42407663667994605
Energy: 0.4391729384329177
Energy: 0.4240766366803276
Energy: 0.4391729384329177
Energy: 0.42407663667994605
Energy: 0.4708609071682597
Energy: 0.4536188693667501
Energy: 0.4708609071686412
Energy: 0.4536188693667501
Energy: 0.4708609071682597
Energy: 0.4536188693667501
Energy: 0.44591023217878123
Energy: 0.40371316520996436
Energy: 0.44591023217878123
Energy: 0.40371316521034595
Energy: 0.44591023217878123
Energy: 0.40371316520996436
Energy: 0.4695598161082218
Energy: 0.4622248452191021
Energy: 0.4695598161086033
Energy: 0.4622248452191021
Energy: 0.4695598161086033
Energy: 0.4622248452191021
Energy: 0.4217144588180434
Energy: 0.4836421138727088
Energy: 0.42171445881842495
Energy: 0.4836421138727088
Energy: 0.42171445881842495
Energy: 0.4836421138723272
Energy: 0.47487580707164445
Energy: 0.424837730863111
Energy: 0.474875807072026
Energy: 0.42483773086272936
Energy: 0.47487580707164445
Energy: 0.424837730863111
Energy: 0.4824381976798435
Energy: 0.45553139870785686
Energy: 0.48243819767946194
Energy: 0.45553139870785686
Energy: 0.4824381976798435
Energy: 0.45553139870785686
Energy: 0.4398277708616091
Energy: 0.4209218177567105
Energy: 0.4398277708616091
Energy: 0.4209218177567105
Energy: 0.4398277708616091
Energy: 0.4209218177567105
Energy: 0.4140842925062011
Energy: 0.4810964206469568
Energy: 0.4140842925062011
Energy: 0.48109642064657526
Energy: 0.4140842925062011
Energy: 0.48109642064657526
Energy: 0.44262656503675146
Energy: 0.42709208113221175
Energy: 0.44262656503713294
Energy: 0.42709208113221175
Energy: 0.44262656503751446
Energy: 0.4270920811325933
Energy: 0.4220833955528602
Energy: 0.4268320340310811
Energy: 0.4220833955536232
Energy: 0.42683203403146264
Energy: 0.4220833955536232
Energy: 0.42683203403146264
Energy: 0.415684776978569
Energy: 0.4716747523698038
Energy: 0.41568477697895057
Energy: 0.4716747523698038
Energy: 0.415684776978569
Energy: 0.4716747523694223
Energy: 0.42212682117294936
Energy: 0.4518892833197709
Energy: 0.4221268211721863
Energy: 0.4518892833201525
Energy: 0.4221268211721863
Energy: 0.4518892833197709
Energy: 0.47056026282571983
Energy: 0.5018971160584826
Energy: 0.47056026282571983
Energy: 0.5018971160588642
Energy: 0.47056026282571983
Energy: 0.5018971160588642
Energy: 0.4759268457385135
Energy: 0.44640843014448206
Energy: 0.475926845738132
Energy: 0.4464084301441004
Energy: 0.4759268457385135
Energy: 0.4464084301441004
Energy: 0.4231809197182904
Energy: 0.4698253197189941
Energy: 0.4231809197182904
Energy: 0.4698253197189941
Energy: 0.4231809197182904
Energy: 0.4698253197189941
Energy: 0.496285067278623
Energy: 0.4608899606344421
Energy: 0.4962850672782414
Energy: 0.4608899606340605
Energy: 0.496285067278623
Energy: 0.4608899606348237
Energy: 0.45026894186525696
Energy: 0.42481496971073357
Energy: 0.45026894186563854
Energy: 0.4248149697111151
Energy: 0.45026894186525696
Energy: 0.42481496971073357
Energy: 0.4721809658707486
Energy: 0.42066670002422063
Energy: 0.4721809658707486
Energy: 0.4206667000246022
Energy: 0.47218096587113007
Energy: 0.42066670002422063
Energy: 0.4347387998897708
Energy: 0.4250810239447021
Energy: 0.4347387998897708
Energy: 0.42508102394432057
Energy: 0.4347387998897708
Energy: 0.4250810239447021
Energy: 0.43532429391638044
Energy: 0.4260109852990956
Energy: 0.43532429391638044
Energy: 0.4260109852990956
Energy: 0.43532429391638044
Energy: 0.4260109852994771
Energy: 0.4933386675986897
Energy: 0.39134519879208807
Energy: 0.4933386675986897
Energy: 0.3913451987924696
Energy: 0.4933386675986897
Energy: 0.39134519879208807
Energy: 0.4215306046076587
Energy: 0.4226858633829718
Energy: 0.42153060460727715
Energy: 0.42268586338259034
Energy: 0.42153060460804026
Energy: 0.4226858633829718

minimum gb energy = 0.39025893811892054 eV
minimum distance =  2.66241020819909 Angstroms
sigma value = 41


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

Energy: 0.5155865150120725
Energy: 0.4500004663537239
Energy: 0.5155865150120725
Energy: 0.4500004663537239
Energy: 0.5155865150120725
Energy: 0.4500004663537239
Energy: 0.458622428020283
Energy: 0.4753242540878715
Energy: 0.458622428020283
Energy: 0.47532425408891327
Energy: 0.458622428020283
Energy: 0.47532425408891327
Energy: 0.5677908321285907
Energy: 0.47636886609969237
Energy: 0.5491895135631069
Energy: 0.47636886609969237
Energy: 0.5456099213483709
Energy: 0.47636886610073415
Energy: 0.48867097594777903
Energy: 0.5576485410104791
Energy: 0.48867097594569564
Energy: 0.5576485410104791
Energy: 0.48867097594777903
Energy: 0.5576485410104791
Energy: 0.5075314463479369
Energy: 0.48043402326765083
Energy: 0.5075314463479369
Energy: 0.48043402326765083
Energy: 0.5075314463479369
Energy: 0.48043402326765083
Energy: 0.5282696125817996
Energy: 0.49641572480132423
Energy: 0.5282696125817996
Energy: 0.49641572480444945
Energy: 0.528269612580758
Energy: 0.49641572480236607
Energy: 0.476028532338634
Energy: 0.5182157338168747
Energy: 0.476028532338634
Energy: 0.5182157338168747
Energy: 0.476028532338634
Energy: 0.5182157338168747
Energy: 0.4803026506700338
Energy: 0.5049478571817599
Energy: 0.4803026506700338
Energy: 0.5049478571817599
Energy: 0.4803026506700338
Energy: 0.5049478571817599
Energy: 0.45990074359568256
Energy: 0.4609964345978643
Energy: 0.45990074359568256
Energy: 0.4609964345978643
Energy: 0.45990074359568256
Energy: 0.4609964345978643
Energy: 0.5105981791026221
Energy: 0.45138173299944767
Energy: 0.5105981791015803
Energy: 0.45138173299944767
Energy: 0.5105981791026221
Energy: 0.45138173299944767
Energy: 0.4893748761503971
Energy: 0.4765385431349838
Energy: 0.5088567504264757
Energy: 0.4765385431349838
Energy: 0.4599527378518804
Energy: 0.4765385431349838
Energy: 0.49372135952424584
Energy: 0.47480842756459596
Energy: 0.49372135952424584
Energy: 0.47480842756459596
Energy: 0.49372135952424584
Energy: 0.47480842756459596
Energy: 0.5109058089183205
Energy: 0.5176993147625204
Energy: 0.5109058089183205
Energy: 0.5176993147625204
Energy: 0.5109058089183205
Energy: 0.5176993147625204
Energy: 0.5052904331862123
Energy: 0.4805135261067694
Energy: 0.5052904331862123
Energy: 0.4805135261067694
Energy: 0.5052904331862123
Energy: 0.4805135261067694

minimum gb energy = 0.4500004663537239 eV
minimum distance =  2.62382605573561 Angstroms
sigma value = 11


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

Energy: 0.5657725865877576
Energy: 0.5328028652432943
Energy: 0.5657725865882152
Energy: 0.5328028652432943
Energy: 0.5657725865877576
Energy: 0.5328028652432943
Energy: 0.4850630399112018
Energy: 0.534652239201354
Energy: 0.4850630399107441
Energy: 0.5346522392022692
Energy: 0.48506303991028654
Energy: 0.5346522392018115
Energy: 0.5412441568842198
Energy: 0.5257810417347141
Energy: 0.5412441568842198
Energy: 0.5257810417347141
Energy: 0.5534839707531322
Energy: 0.5257810417347141
Energy: 0.528961770652614
Energy: 0.4970680254300304
Energy: 0.528961770652614
Energy: 0.4970680254300304
Energy: 0.528961770652614
Energy: 0.4970680254300304
Energy: 0.5456028984235941
Energy: 0.5252460713676235
Energy: 0.5456028984235941
Energy: 0.5252460713676235
Energy: 0.5456028984235941
Energy: 0.5252460713676235
Energy: 0.5064208449400455
Energy: 0.5338839643886244
Energy: 0.5064208449400455
Energy: 0.5338839643886244
Energy: 0.5064208449400455
Energy: 0.5338839643886244
Energy: 0.5331508646644753
Energy: 0.5203473930512735
Energy: 0.5331508646644753
Energy: 0.5203473930512735
Energy: 0.5331508646644753
Energy: 0.5203473930512735
Energy: 0.5137462208264719
Energy: 0.5164131735730655
Energy: 0.5137462208264719
Energy: 0.516413173572608
Energy: 0.5137462208264719
Energy: 0.5164131735730655
Energy: 0.5183338127580221
Energy: 0.5172182513264222
Energy: 0.5183338127580221
Energy: 0.5172182513264222
Energy: 0.5183338127580221
Energy: 0.5172182513264222
Energy: 0.523125565833398
Energy: 0.5295777700532434
Energy: 0.523125565833398
Energy: 0.5295777700527858
Energy: 0.523125565833398
Energy: 0.5295777700532434
Energy: 0.5115064079097529
Energy: 0.5364970398598147
Energy: 0.5115064079097529
Energy: 0.536497039859357
Energy: 0.5115064079097529
Energy: 0.5364970398598147
Energy: 0.5279693262294423
Energy: 0.5420752825512622
Energy: 0.5279693262289846
Energy: 0.5420752825512622
Energy: 0.5279693262289846
Energy: 0.5420752825512622
Energy: 0.5336494548743631
Energy: 0.5272188534188557
Energy: 0.5336494548739054
Energy: 0.5272188534193134
Energy: 0.5336494548739054
Energy: 0.5272188534193134
Energy: 0.5043841909768163
Energy: 0.5411270358415592
Energy: 0.5043841909768163
Energy: 0.5411270358415592
Energy: 0.5043841909772739
Energy: 0.5411270358415592
Energy: 0.48649231901953743
Energy: 0.5073662287183373
Energy: 0.5007612334499397
Energy: 0.5073662287178796
Energy: 0.502153729636972
Energy: 0.5073662287178796
Energy: 0.5366836763213443
Energy: 0.5201878991795673
Energy: 0.5366836763213443
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Energy: 0.5366836763213443
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Energy: 0.495046993958319
Energy: 0.5403438628765562
Energy: 0.495046993958319
Energy: 0.5403438628770139
Energy: 0.4950469939587766
Energy: 0.5403438628765562
Energy: 0.556785311961038
Energy: 0.5609102958865162
Energy: 0.556785311961038
Energy: 0.5609102958874314
Energy: 0.5567853119605803
Energy: 0.5609102958869738
Energy: 0.5051573249825954
Energy: 0.49621264417734184
Energy: 0.5051573249825954
Energy: 0.49621264417734184
Energy: 0.5051573249825954
Energy: 0.49621264417734184
Energy: 0.5263303446461155
Energy: 0.5313852862112911
Energy: 0.5263303446461155
Energy: 0.5313852862112911
Energy: 0.5263303446461155
Energy: 0.5313852862112911
Energy: 0.4950438505633622
Energy: 0.50213809489487
Energy: 0.4950438505633622
Energy: 0.5021380948953277
Energy: 0.49504385056290456
Energy: 0.50213809489487
Energy: 0.5514555148272249
Energy: 0.5328722515490002
Energy: 0.5514555148267672
Energy: 0.5328722515494578
Energy: 0.5514555148272249
Energy: 0.5328722515494578
Energy: 0.5277369767431351
Energy: 0.5257428596226364
Energy: 0.5277369767431351
Energy: 0.5257428596226364
Energy: 0.5277369767435927
Energy: 0.5257428596226364
Energy: 0.5453757283301824
Energy: 0.5348679071714746
Energy: 0.5453757283301824
Energy: 0.5348679071714746
Energy: 0.5453757283301824
Energy: 0.5348679071714746
Energy: 0.5139287830876873
Energy: 0.518729406977049
Energy: 0.5139287830876873
Energy: 0.518729406977049
Energy: 0.5139287830881449
Energy: 0.518729406977049
Energy: 0.5096206005545363
Energy: 0.5346609657443839
Energy: 0.5096206005549939
Energy: 0.5346609657443839
Energy: 0.5096206005545363
Energy: 0.5346609657443839
Energy: 0.5126460014512171
Energy: 0.533023722584812
Energy: 0.5126460014512171
Energy: 0.533023722584812
Energy: 0.5126460014512171
Energy: 0.533023722584812
Energy: 0.5413109239462607
Energy: 0.5024538838004944
Energy: 0.5413109239462607
Energy: 0.5024538838004944
Energy: 0.5413109239462607
Energy: 0.502453883800952
Energy: 0.5068369900202696
Energy: 0.5452404364852844
Energy: 0.506836990019812
Energy: 0.545240436485742
Energy: 0.5068369900202696
Energy: 0.545240436485742
Energy: 0.5015016222326962
Energy: 0.4840084623332328
Energy: 0.501501622233154
Energy: 0.4840084623332328
Energy: 0.501501622233154
Energy: 0.4840084623332328
Energy: 0.5228467126428814
Energy: 0.5514706879592634
Energy: 0.5228467126428814
Energy: 0.5514706879588057
Energy: 0.5228467126428814
Energy: 0.5514706879588057

minimum gb energy = 0.4840084623332328 eV
minimum distance =  2.58701312366218 Angstroms
sigma value = 57


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

Energy: 0.49183779247470377
Energy: 0.46705562823876284
Energy: 0.49183779247470377
Energy: 0.46705562823876284
Energy: 0.49183779247470377
Energy: 0.4670556282379485
Energy: 0.5247164978342724
Energy: 0.5102021247955564
Energy: 0.5247164978342724
Energy: 0.5102021247955564
Energy: 0.5247164978342724
Energy: 0.510202124794742
Energy: 0.525915893569484
Energy: 0.5139543364672693
Energy: 0.525915893569484
Energy: 0.5139543364672693
Energy: 0.525915893569484
Energy: 0.5139543364672693
Energy: 0.4980283254963911
Energy: 0.6206443114679023
Energy: 0.4980283254963911
Energy: 0.6740005553098432
Energy: 0.4980283254963911
Energy: 0.5492285366918063
Energy: 0.5260959755379886
Energy: 0.5139022809091838
Energy: 0.5260959755379886
Energy: 0.5139022809091838
Energy: 0.5260959755371742
Energy: 0.5139022809099981
Energy: 0.5246724044995645
Energy: 0.5098308500032165
Energy: 0.5246724044995645
Energy: 0.5512961733468128
Energy: 0.5246724044995645
Energy: 0.5228237446326943
Energy: 0.4918377924755181
Energy: 0.4670556282379485
Energy: 0.49183779247470377
Energy: 0.46705562823876284
Energy: 0.49183779247470377
Energy: 0.46705562823876284
Energy: 0.5247164978342724
Energy: 0.5102021247955564
Energy: 0.5247164978342724
Energy: 0.5102021247955564
Energy: 0.5247164978342724
Energy: 0.5102021247955564
Energy: 0.525915893569484
Energy: 0.5139543364672693
Energy: 0.525915893569484
Energy: 0.5139543364672693
Energy: 0.525915893569484
Energy: 0.5139543364672693
Energy: 0.4980283254963911
Energy: 0.62903056954246
Energy: 0.4980283254963911
Energy: 0.6116358347550797
Energy: 0.4980283254963911
Energy: 0.5492285366918063
Energy: 0.5260959755379886
Energy: 0.5139022809099981
Energy: 0.5260959755379886
Energy: 0.5139022809099981
Energy: 0.5260959755379886
Energy: 0.5139022809099981
Energy: 0.5246724044995645
Energy: 0.5098308500032165
Energy: 0.5246724044995645
Energy: 0.5098308500032165
Energy: 0.5246724044995645
Energy: 0.5098308500032165
Energy: 0.49183779247470377
Energy: 0.46705562823876284
Energy: 0.49183779247470377
Energy: 0.46705562823876284
Energy: 0.49183779247470377
Energy: 0.46705562823876284
Energy: 0.5247164978342724
Energy: 0.5102021247955564
Energy: 0.5247164978342724
Energy: 0.5102021247955564
Energy: 0.5247164978342724
Energy: 0.5102021247955564
Energy: 0.525915893569484
Energy: 0.5139543364672693
Energy: 0.525915893569484
Energy: 0.5139543364672693
Energy: 0.525915893569484
Energy: 0.5139543364672693
Energy: 0.4980283254963911
Energy: 0.5492285366918063
Energy: 0.4980283254963911
Energy: 0.5492285366918063
Energy: 0.4980283254963911
Energy: 0.5492285366918063
Energy: 0.5260959755379886
Energy: 0.5139022809108125
Energy: 0.5260959755379886
Energy: 0.5139022809099981
Energy: 0.5260959755379886
Energy: 0.5139022809099981

minimum gb energy = 0.4670556282379485 eV
minimum distance =  2.62752884145092 Angstroms
sigma value = 9


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

Energy: 0.5160093688117712
Energy: 0.5705101612355401
Energy: 0.5160093688117712
Energy: 0.5705101612355401
Energy: 0.5160093688117712
Energy: 0.5705101612355401
Energy: 0.5424393058257191
Energy: 0.5711632242031512
Energy: 0.5424393058257191
Energy: 0.5711632242031512
Energy: 0.5424393058257191
Energy: 0.5711632242031512
Energy: 0.5341173553189976
Energy: 0.5208795009810994
Energy: 0.5731118244780998
Energy: 0.5208795009810994
Energy: 0.5435370408731418
Energy: 0.5208795009810994
Energy: 0.5038421928381934
Energy: 0.5865888622989465
Energy: 0.5038421928381934
Energy: 0.5865888622989465
Energy: 0.5038421928375285
Energy: 0.5865888622989465
Energy: 0.521466104750351
Energy: 0.5498800350808821
Energy: 0.521466104751016
Energy: 0.549880035082212
Energy: 0.521466104751016
Energy: 0.5498800350808821
Energy: 0.554399995373177
Energy: 0.5178797242892231
Energy: 0.554399995373177
Energy: 0.5178797242898882
Energy: 0.5543999953738419
Energy: 0.5178797242892231
Energy: 0.5118300096113834
Energy: 0.5367449108989621
Energy: 0.5118300096107185
Energy: 0.5367449108989621
Energy: 0.5118300096107185
Energy: 0.5367449108989621
Energy: 0.5359147748240762
Energy: 0.5282586772845373
Energy: 0.535914774825406
Energy: 0.5282586772845373
Energy: 0.5359147748247411
Energy: 0.5282586772845373
Energy: 0.5790774199554459
Energy: 0.5193469595051294
Energy: 0.5790774199554459
Energy: 0.5193469595051294
Energy: 0.5790774199567758
Energy: 0.5193469595051294
Energy: 0.5037518570478574
Energy: 0.527152787294003
Energy: 0.5037518570485223
Energy: 0.527152787294003
Energy: 0.5037518570478574
Energy: 0.5271527872946679
Energy: 0.5467827468380526
Energy: 0.5354278135501758
Energy: 0.5467827468380526
Energy: 0.5354278135501758
Energy: 0.5467827468380526
Energy: 0.5354278135501758
Energy: 0.5632521117053103
Energy: 0.5079870560969777
Energy: 0.5632521117053103
Energy: 0.5079870560969777
Energy: 0.5632521117059753
Energy: 0.5079870560969777
Energy: 0.5113299595123045
Energy: 0.570145904677157
Energy: 0.5113299595129693
Energy: 0.5701459046791518
Energy: 0.5113299595129693
Energy: 0.5701459046791518
Energy: 0.5369871735531
Energy: 0.5309444770869199
Energy: 0.5369871735531
Energy: 0.530944477087585
Energy: 0.5369871735537649
Energy: 0.530944477087585
Energy: 0.5474226535863734
Energy: 0.521572964111671
Energy: 0.5474226535863734
Energy: 0.521572964111671
Energy: 0.5854357721041222
Energy: 0.521572964111671
Energy: 0.5191731968754135
Energy: 0.5617518968508971
Energy: 0.5191731968760784
Energy: 0.5617518968508971
Energy: 0.5191731968754135
Energy: 0.5617518968508971
Energy: 0.5571408912932085
Energy: 0.5589917057768063
Energy: 0.5571408912932085
Energy: 0.5589917057768063
Energy: 0.5571408912932085
Energy: 0.5589917057768063
Energy: 0.5904743827133027
Energy: 0.5083406781078129
Energy: 0.5904743827133027
Energy: 0.5083406781071481
Energy: 0.5904743827139676
Energy: 0.5083406781071481
Energy: 0.5106479388905218
Energy: 0.5330327671752365
Energy: 0.5106479388898568
Energy: 0.5330327671752365
Energy: 0.5106479388905218
Energy: 0.5330327671752365
Energy: 0.5468568343729147
Energy: 0.5456074310161168
Energy: 0.5468568343722499
Energy: 0.5456074310161168
Energy: 0.5468568343722499
Energy: 0.5456074310167817
Energy: 0.5648002867888032
Energy: 0.50769828186116
Energy: 0.5648002867888032
Energy: 0.507698281860495
Energy: 0.5648002867888032
Energy: 0.507698281860495

minimum gb energy = 0.5037518570478574 eV
minimum distance =  2.60872255145345 Angstroms
sigma value = 27


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

Energy: 0.5135157892691841
Energy: 0.5579310195405445
Energy: 0.5135157892691841
Energy: 0.5579310195405445
Energy: 0.5135157892691841
Energy: 0.5579310195405445
Energy: 0.5227945006466295
Energy: 0.5238502767485709
Energy: 0.5227945006466295
Energy: 0.5238502767480103
Energy: 0.5227945006466295
Energy: 0.5238502767485709
Energy: 0.5298898959515812
Energy: 0.4738364046552491
Energy: 0.5298898959515812
Energy: 0.4738364046552491
Energy: 0.5298898959515812
Energy: 0.4738364046552491
Energy: 0.46390298300564164
Energy: 0.4853301167930184
Energy: 0.46390298300564164
Energy: 0.48533011679413934
Energy: 0.46390298300508115
Energy: 0.48533011679357885
Energy: 0.49151685430666153
Energy: 0.5396674992967242
Energy: 0.49151685430610104
Energy: 0.5396674992967242
Energy: 0.49151685430666153
Energy: 0.5396674992967242
Energy: 0.5330180782802103
Energy: 0.5079780654478159
Energy: 0.5330180782807707
Energy: 0.5079780654478159
Energy: 0.5330180782807707
Energy: 0.5079780654478159
Energy: 0.4753011242937266
Energy: 0.5448241991044122
Energy: 0.4753011242931662
Energy: 0.5448241991038518
Energy: 0.4753011242937266
Energy: 0.5448241991044122
Energy: 0.5022921127505291
Energy: 0.5298498051555075
Energy: 0.5022921127505291
Energy: 0.5298498051555075
Energy: 0.5022921127505291
Energy: 0.529849805156068
Energy: 0.5293419994762174
Energy: 0.46638360883269314
Energy: 0.5293419994767778
Energy: 0.46638360883325364
Energy: 0.5293419994762174
Energy: 0.46638360883325364
Energy: 0.5178738266984432
Energy: 0.572728108102126
Energy: 0.5178738266978826
Energy: 0.5727281081010052
Energy: 0.5178738266978826
Energy: 0.5727281081010052
Energy: 0.5112755148098062
Energy: 0.5266907177036194
Energy: 0.5112755148098062
Energy: 0.5266907177041799
Energy: 0.5112755148098062
Energy: 0.5266907177041799
Energy: 0.5455056675466445
Energy: 0.47564520624338663
Energy: 0.5455056675466445
Energy: 0.4756452062428262
Energy: 0.5455056675466445
Energy: 0.4756452062428262
Energy: 0.5102794139264377
Energy: 0.5021188657552073
Energy: 0.5102794139264377
Energy: 0.5021188657552073
Energy: 0.5102794139264377
Energy: 0.5021188657552073
Energy: 0.46384463780416074
Energy: 0.534330217944629
Energy: 0.46384463780416074
Energy: 0.534330217944629
Energy: 0.46384463780416074
Energy: 0.534330217944629
Energy: 0.532421533549997
Energy: 0.5077319088726847
Energy: 0.5324215335494366
Energy: 0.5077319088732452
Energy: 0.5324215335494366
Energy: 0.5077319088726847
Energy: 0.5245403717893672
Energy: 0.5363196850874339
Energy: 0.5245403717888066
Energy: 0.5363196850874339
Energy: 0.5245403717893672
Energy: 0.5363196850868734
Energy: 0.45220561988240726
Energy: 0.5301439843555074
Energy: 0.45220561988240726
Energy: 0.5301439843555074
Energy: 0.45220561988240726
Energy: 0.5301439843555074
Energy: 0.5034360600030685
Energy: 0.47943634222752496
Energy: 0.5034360600030685
Energy: 0.4794363422280854
Energy: 0.5034360600019475
Energy: 0.4794363422280854
Energy: 0.5025736142897916
Energy: 0.4907942358466408
Energy: 0.5025736142903521
Energy: 0.4907942358466408
Energy: 0.5025736142897916
Energy: 0.4907942358466408
Energy: 0.5135157892686236
Energy: 0.5579310195411048
Energy: 0.5135157892691841
Energy: 0.557931019539984
Energy: 0.5135157892691841
Energy: 0.5579310195405445
Energy: 0.5227945006466295
Energy: 0.5238502767480103
Energy: 0.5227945006466295
Energy: 0.5238502767485709
Energy: 0.5227945006466295
Energy: 0.5238502767480103
Energy: 0.5298898959515812
Energy: 0.4738364046552491
Energy: 0.5298898959515812
Energy: 0.4738364046552491
Energy: 0.5298898959515812
Energy: 0.4738364046552491
Energy: 0.46390298300508115
Energy: 0.4853301167930184
Energy: 0.46390298300508115
Energy: 0.48533011679357885
Energy: 0.46390298300508115
Energy: 0.4853301167930184
Energy: 0.49151685430610104
Energy: 0.5396674992967242
Energy: 0.49151685430666153
Energy: 0.5396674992967242
Energy: 0.49151685430666153
Energy: 0.5396674992967242
Energy: 0.5330180782807707
Energy: 0.5079780654478159
Energy: 0.5330180782807707
Energy: 0.5079780654478159
Energy: 0.5330180782802103
Energy: 0.5079780654478159

minimum gb energy = 0.45220561988240726 eV
minimum distance =  2.61256963483394 Angstroms
sigma value = 19


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

Energy: 0.4703874202491549
Energy: 0.5783688290829491
Energy: 0.47038742024963875
Energy: 0.5783688290824653
Energy: 0.47038742024963875
Energy: 0.5783688290824653
Energy: 0.5292609911872447
Energy: 0.48655462488472295
Energy: 0.5292609911877286
Energy: 0.48655462488520673
Energy: 0.529260991186761
Energy: 0.48655462488472295
Energy: 0.6099325861465106
Energy: 0.45842428846373245
Energy: 0.6339254344168125
Energy: 0.45842428846373245
Energy: 0.5741162275438233
Energy: 0.4584242884632487
Energy: 0.45602154148236235
Energy: 0.5549301653789027
Energy: 0.4560215414818785
Energy: 0.5549301653789027
Energy: 0.4560215414818785
Energy: 0.5549301653789027
Energy: 0.5055064998380739
Energy: 0.5294850378707986
Energy: 0.5055064998380739
Energy: 0.5294850378707986
Energy: 0.5055064998380739
Energy: 0.5294850378703148
Energy: 0.5572776762676358
Energy: 0.4567701991112387
Energy: 0.5572776762676358
Energy: 0.4567701991112387
Energy: 0.5572776762681196
Energy: 0.4567701991112387
Energy: 0.45468566512285735
Energy: 0.5582147079207698
Energy: 0.4546856651223736
Energy: 0.5582147079207698
Energy: 0.4546856651218898
Energy: 0.5582147079217373
Energy: 0.4827670445787893
Energy: 0.5703723009055056
Energy: 0.4827670445787893
Energy: 0.570372300904538
Energy: 0.4827670445783054
Energy: 0.570372300904538
Energy: 0.5768705125044915
Energy: 0.448770081798514
Energy: 0.5768705125044915
Energy: 0.448770081798514
Energy: 0.5768705125049753
Energy: 0.448770081798514
Energy: 0.45957521840912713
Energy: 0.5207869540365131
Energy: 0.45957521840961096
Energy: 0.5207869540365131
Energy: 0.45957521840912713
Energy: 0.5207869540365131
Energy: 0.45187325520462174
Energy: 0.6120918036961012
Energy: 0.45187325520462174
Energy: 0.6120918036961012
Energy: 0.45187325520462174
Energy: 0.6120918036961012
Energy: 0.5272738086919164
Energy: 0.4593944789259821
Energy: 0.5272738086919164
Energy: 0.4593944789259821
Energy: 0.5272738086909488
Energy: 0.4593944789259821
Energy: 0.5078197036865482
Energy: 0.4729534290108968
Energy: 0.5078197036865482
Energy: 0.472953429012832
Energy: 0.507819703687032
Energy: 0.47295342901234816
Energy: 0.4557067583856702
Energy: 0.5539688852500152
Energy: 0.4557067583856702
Energy: 0.5539688852500152
Energy: 0.4557067583856702
Energy: 0.5539688852500152
Energy: 0.5206759817076392
Energy: 0.4526407044805784
Energy: 0.5206759817076392
Energy: 0.4526407044805784
Energy: 0.5206759817076392
Energy: 0.45264070448009464
Energy: 0.6089794817726479
Energy: 0.4489147021152773
Energy: 0.6089794817726479
Energy: 0.4489147021152773
Energy: 0.6089794817726479
Energy: 0.4489147021152773
Energy: 0.4610410646318249
Energy: 0.5337932714414753
Energy: 0.46104106463134115
Energy: 0.5337932714409915
Energy: 0.4610410646318249
Energy: 0.5337932714414753
Energy: 0.5093953376295173
Energy: 0.46546284563480805
Energy: 0.5093953376290334
Energy: 0.4654628456154561
Energy: 0.5093953376295173
Energy: 0.4654628456328729
Energy: 0.5633248995363381
Energy: 0.45626456760519724
Energy: 0.5633248995363381
Energy: 0.45626456760519724
Energy: 0.5633248995363381
Energy: 0.45626456760519724
Energy: 0.46084540665532403
Energy: 0.5338836776345509
Energy: 0.46084540665532403
Energy: 0.5338836776345509
Energy: 0.46084540665532403
Energy: 0.5338836776345509
Energy: 0.4538578466307463
Energy: 0.6079950576468958
Energy: 0.4538578466307463
Energy: 0.6079950576464119
Energy: 0.4538578466307463
Energy: 0.6079950576464119
Energy: 0.5796662842604747
Energy: 0.4581535086858566
Energy: 0.579666284257572
Energy: 0.4581535086858566
Energy: 0.5796662842590233
Energy: 0.4581535086858566
Energy: 0.47112162085853077
Energy: 0.48870563063626604
Energy: 0.47112162085998205
Energy: 0.4887056306357823
Energy: 0.47112162085853077
Energy: 0.48870563063626604
Energy: 0.47082684216399473
Energy: 0.5875856676117033
Energy: 0.47082684216399473
Energy: 0.5875856676117033
Energy: 0.47082684216399473
Energy: 0.5875856676117033
Energy: 0.5266062519019586
Energy: 0.458285005569742
Energy: 0.5266062519019586
Energy: 0.458285005569742
Energy: 0.5266062519019586
Energy: 0.458285005569742
Energy: 0.5186813234189727
Energy: 0.4631879444518995
Energy: 0.5186813234189727
Energy: 0.4631879444518995
Energy: 0.5186813234189727
Energy: 0.4631879444518995
Energy: 0.4515532100881295
Energy: 0.5466995958547276
Energy: 0.4515532100881295
Energy: 0.5466995958547276
Energy: 0.4515532100886134
Energy: 0.5466995958547276
Energy: 0.5269804688814379
Energy: 0.456349326458095
Energy: 0.5269804688824055
Energy: 0.456349326458095
Energy: 0.5269804688824055
Energy: 0.456349326458095
Energy: 0.5430150542475451
Energy: 0.45622001866967543
Energy: 0.5430150542470614
Energy: 0.45622001866967543
Energy: 0.5430150542475451
Energy: 0.45622001866967543

minimum gb energy = 0.448770081798514 eV
minimum distance =  2.62149357664219 Angstroms
sigma value = 101


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

Energy: 0.44769313061644134
Energy: 0.5696622318367182
Energy: 0.44769313061644134
Energy: 0.5696622318367182
Energy: 0.44769313061644134
Energy: 0.5696622318367182
Energy: 0.5654466512854961
Energy: 0.4672588683131118
Energy: 0.5654466512859214
Energy: 0.4769089300941502
Energy: 0.5654466512854961
Energy: 0.45402578418304584
Energy: 0.5544788647635887
Energy: 0.4354223706871408
Energy: 0.5544788647635887
Energy: 0.4354223706871408
Energy: 0.5544788647635887
Energy: 0.4354223706871408
Energy: 0.4297066752813617
Energy: 0.6401677151941306
Energy: 0.4297066752813617
Energy: 0.6347401725547658
Energy: 0.4297066752813617
Energy: 0.6048353761124324
Energy: 0.4354046274381654
Energy: 0.5116947701256054
Energy: 0.4354046274381654
Energy: 0.5116947701256054
Energy: 0.4354046274381654
Energy: 0.5116947701256054
Energy: 0.55378114916954
Energy: 0.429985171274659
Energy: 0.55378114916954
Energy: 0.429985171274659
Energy: 0.55378114916954
Energy: 0.429985171274659
Energy: 0.4389065450310436
Energy: 0.4463589875799569
Energy: 0.4389065450310436
Energy: 0.44635898758123277
Energy: 0.4389065450310436
Energy: 0.44635898757953163
Energy: 0.4306064774645217
Energy: 0.56801983002188
Energy: 0.43060647746494696
Energy: 0.7100313886960261
Energy: 0.43060647746494696
Energy: 0.5508948761104264
Energy: 0.5541910436878853
Energy: 0.4309429306800175
Energy: 0.5541910436878853
Energy: 0.4309429306800175
Energy: 0.5541910436878853
Energy: 0.4309429306800175
Energy: 0.4395102669206318
Energy: 0.4637973139426055
Energy: 0.439510266921057
Energy: 0.5072341808027983
Energy: 0.4395102669214823
Energy: 0.46678541584659383
Energy: 0.4286334416708887
Energy: 0.6124810253364057
Energy: 0.4286334416708887
Energy: 0.6124810253359804
Energy: 0.4286334416708887
Energy: 0.6124810253359804
Energy: 0.5561052892615652
Energy: 0.4686267936269186
Energy: 0.5561052892619905
Energy: 0.4777873073577799
Energy: 0.5561052892619905
Energy: 0.45482694023866965
Energy: 0.5683791728607513
Energy: 0.4354620227509158
Energy: 0.5683791728611767
Energy: 0.4354620227509158
Energy: 0.5683791728611767
Energy: 0.43546202275134105
Energy: 0.4504397536438555
Energy: 0.6136363635066692
Energy: 0.4504397536438555
Energy: 0.6366425610437176
Energy: 0.4504397536438555
Energy: 0.6069476457122385
Energy: 0.44802230465114196
Energy: 0.4502474440137687
Energy: 0.44802230465071663
Energy: 0.45024744401291816
Energy: 0.4480223046515672
Energy: 0.45024744401334343
Energy: 0.5117815201624938
Energy: 0.4368253893158969
Energy: 0.5117815201620683
Energy: 0.4368253893158969
Energy: 0.5117815201624938
Energy: 0.4368253893158969
Energy: 0.42892280495361895
Energy: 0.6535510986312747
Energy: 0.42892280495361895
Energy: 0.6535510986312747
Energy: 0.42892280495361895
Energy: 0.6535510986312747
Energy: 0.4267643825742941
Energy: 0.5111444790629128
Energy: 0.4267643825742941
Energy: 0.5111444790629128
Energy: 0.4267643825742941
Energy: 0.5111444790629128
Energy: 0.5532532934920837
Energy: 0.43108807391084314
Energy: 0.5532532934916585
Energy: 0.43108807391084314
Energy: 0.553253293490808
Energy: 0.43108807391084314
Energy: 0.45294499283412437
Energy: 0.457585625972111
Energy: 0.45294499283412437
Energy: 0.4575856259708351
Energy: 0.4529449928345497
Energy: 0.4575856259708351
Energy: 0.4359867889799306
Energy: 0.6360278569835215
Energy: 0.4359867889799306
Energy: 0.6360278569839467
Energy: 0.4359867889799306
Energy: 0.6360278569835215
Energy: 0.631077855572251
Energy: 0.4303220372029572
Energy: 0.631077855572251
Energy: 0.4303220372029572
Energy: 0.6310778555718258
Energy: 0.4303220372033825
Energy: 0.512599903834285
Energy: 0.4302744030960619
Energy: 0.5125999038351355
Energy: 0.4302744030960619
Energy: 0.5125999038381125
Energy: 0.4302744030960619
Energy: 0.4297349235304097
Energy: 0.5563481797466612
Energy: 0.4297349235304097
Energy: 0.5563481797475118
Energy: 0.4297349235304097
Energy: 0.5563481797475118
Energy: 0.49123560894354884
Energy: 0.4490899896012177
Energy: 0.4912356089439741
Energy: 0.4490899896012177
Energy: 0.4912356089439741
Energy: 0.4490899896012177
Energy: 0.5701132230986069
Energy: 0.4369478846733311
Energy: 0.5701132230986069
Energy: 0.4369478846733311
Energy: 0.5701132230986069
Energy: 0.4369478846733311
Energy: 0.447774675924959
Energy: 0.5235520070003388
Energy: 0.447774675924959
Energy: 0.5235520070011894
Energy: 0.447774675924959
Energy: 0.523552006999063
Energy: 0.44791775103588627
Energy: 0.4533126981042765
Energy: 0.44791775103588627
Energy: 0.4533126981012995
Energy: 0.44791775103546094
Energy: 0.4533126981038512
Energy: 0.5564521398824145
Energy: 0.4354690302084178
Energy: 0.5564521398824145
Energy: 0.4354690302084178
Energy: 0.5564521398824145
Energy: 0.4354690302084178
Energy: 0.42637973612593394
Energy: 0.45227859755675914
Energy: 0.42637973612550867
Energy: 0.4522785975571844
Energy: 0.42637973612550867
Energy: 0.45227859755633376
Energy: 0.42891346653564355
Energy: 0.5617998066559432
Energy: 0.42891346653564355
Energy: 0.5617998066559432
Energy: 0.42891346653564355
Energy: 0.5617998066559432
Energy: 0.590113415564983
Energy: 0.43039603784335423
Energy: 0.5901134155645577
Energy: 0.43039603784292896
Energy: 0.5901134155654083
Energy: 0.43039603784335423
Energy: 0.5225197451895869
Energy: 0.4302710915642046
Energy: 0.5225197451895869
Energy: 0.4302710915642046
Energy: 0.5225197451895869
Energy: 0.4302710915642046

minimum gb energy = 0.42637973612550867 eV
minimum distance =  2.63393874607662 Angstroms
sigma value = 33


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

Energy: 0.011705485366786427
Energy: 0.5873307635419807
Energy: 0.011705485366433073
Energy: 0.5873307635416469
Energy: 0.011705485366786427
Energy: 0.587330763542334
Energy: 0.013304822857373083
Energy: 0.1991738381671453
Energy: 0.013304822857373083
Energy: 0.1991738381671453
Energy: 0.013304822857019732
Energy: 0.1991738381671453
Energy: 0.7802466799142629
Energy: 0.2002232167203155
Energy: 1.0434516334774204
Energy: 0.2002232167210026
Energy: 1.171986841917771
Energy: 0.20022321672064924
Energy: 0.013304822857019732
Energy: 0.1991738381671453
Energy: 0.013304822857019732
Energy: 0.1991738381671453
Energy: 0.013304822857373083
Energy: 0.1991738381671453

minimum gb energy = 0.011705485366433073 eV
minimum distance =  2.83998505002867 Angstroms
sigma value = 1