Model name: model_name=EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002
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=4.032082748413087
cohesive_energy=3.3602642540094405
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01044424258726104
Energy: 0.41180213648427166
Energy: 0.010444242587513123
Energy: 0.41180213648427166
Energy: 0.010444242587036965
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.4118021364845238
Energy: 0.4118021364845238
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.01044424258726104
Energy: 0.41180213648427166
Energy: 0.010444242587765207
Energy: 0.41180213648427166
Energy: 0.010444242587513123
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.010444242587036965
Energy: 0.41180213648427166
Energy: 0.010444242587513123
Energy: 0.41180213648427166
Energy: 0.01044424258726104
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166
Energy: 0.41180213648427166

minimum gb energy = 0.010444242587036965 eV
minimum distance =  2.78715996162334 Angstroms
sigma value = 1


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

Energy: 0.5446514562141243
Energy: 0.5525899812203638
Energy: 0.5446514562141243
Energy: 0.5525899812209707
Energy: 0.5446514562135174
Energy: 0.5525899812209707
Energy: 0.6114890742342725
Energy: 0.4878391676623704
Energy: 0.6114890742342725
Energy: 0.4878391676623704
Energy: 0.6114890742342725
Energy: 0.4878391676623704
Energy: 0.5232357829213735
Energy: 0.5596560830184907
Energy: 0.5232357829213735
Energy: 0.5596560830184907
Energy: 0.5232357829213735
Energy: 0.5596560830184907
Energy: 0.5931079923998027
Energy: 0.5022161594136677
Energy: 0.5931079924004097
Energy: 0.5022161594142744
Energy: 0.5931079924004097
Energy: 0.5022161594142744
Energy: 0.5292014896788412
Energy: 0.5672645407101852
Energy: 0.5292014896788412
Energy: 0.5672645407101852
Energy: 0.5292014896776276
Energy: 0.5672645407101852
Energy: 0.5460109988427628
Energy: 0.4970335247679951
Energy: 0.546010998842156
Energy: 0.4970335247679951
Energy: 0.546010998842156
Energy: 0.4970335247679951
Energy: 0.5284827061641237
Energy: 0.5406023947153161
Energy: 0.5284827061647306
Energy: 0.540602394715923
Energy: 0.5284827061641237
Energy: 0.540602394715923
Energy: 0.5002450340852331
Energy: 0.5844148179027079
Energy: 0.5002450340864467
Energy: 0.5844148179027079
Energy: 0.5002450340864467
Energy: 0.5844148179039215
Energy: 0.5606185207275075
Energy: 0.5358984859373621
Energy: 0.5606185207281142
Energy: 0.535898485937969
Energy: 0.5606185207275075
Energy: 0.535898485937969
Energy: 0.48441298844374797
Energy: 0.5548792160765479
Energy: 0.48441298844435476
Energy: 0.5548792160795818
Energy: 0.48441298844435476
Energy: 0.5548792160801888
Energy: 0.6200653437720774
Energy: 0.4863145609093404
Energy: 0.6200653437714706
Energy: 0.4863145609093404
Energy: 0.6200653437726843
Energy: 0.4863145609093404
Energy: 0.48551413494961626
Energy: 0.6372621854060049
Energy: 0.48551413494961626
Energy: 0.6372621854066117
Energy: 0.48551413494961626
Energy: 0.6372621854066117
Energy: 0.5836095982397209
Energy: 0.47858783950141104
Energy: 0.5836095982397209
Energy: 0.47858783950141104
Energy: 0.5836095982409345
Energy: 0.47858783950141104
Energy: 0.5056367094261758
Energy: 0.5103283867352333
Energy: 0.5056367094261758
Energy: 0.5103283867352333
Energy: 0.5056367094261758
Energy: 0.5103283867352333
Energy: 0.6208922349705817
Energy: 0.49292681447578596
Energy: 0.6208922349705817
Energy: 0.49292681447578596
Energy: 0.6208922349705817
Energy: 0.49292681447578596
Energy: 0.5921578689930811
Energy: 0.558301435038297
Energy: 0.5921578689930811
Energy: 0.558301435038297
Energy: 0.5921578689930811
Energy: 0.558301435038297
Energy: 0.5286836939812954
Energy: 0.5193287189284348
Energy: 0.5286836939819022
Energy: 0.5193287189284348
Energy: 0.5286836939812954
Energy: 0.5193287189284348
Energy: 0.5246824434661684
Energy: 0.5296924642923972
Energy: 0.524682443464348
Energy: 0.5296924642923972
Energy: 0.524682443464348
Energy: 0.5296924642923972
Energy: 0.4947527053954705
Energy: 0.5043813678706993
Energy: 0.49475270539486366
Energy: 0.5043813678700925
Energy: 0.4947527053954705
Energy: 0.5043813678706993
Energy: 0.5841893047204544
Energy: 0.49712891091051314
Energy: 0.5841893047198475
Energy: 0.49712891091051314
Energy: 0.5841893047198475
Energy: 0.49712891090990635
Energy: 0.5026925354775429
Energy: 0.6528319865437566
Energy: 0.5026925354775429
Energy: 0.6528319865437566
Energy: 0.5026925354775429
Energy: 0.6528319865437566
Energy: 0.5442382130549802
Energy: 0.5352759269698273
Energy: 0.5442382130549802
Energy: 0.535275926970434
Energy: 0.5442382130549802
Energy: 0.535275926970434
Energy: 0.4757403245689988
Energy: 0.5740025460463757
Energy: 0.4757403245689988
Energy: 0.5740025460457688
Energy: 0.4757403245689988
Energy: 0.5740025460451621

minimum gb energy = 0.4757403245689988 eV
minimum distance =  2.58742932774678 Angstroms
sigma value = 33


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

Energy: 0.5324464944258038
Energy: 0.5393651895398397
Energy: 0.5130912507333325
Energy: 0.5393651895384906
Energy: 0.532446494426149
Energy: 0.5393651895426009
Energy: 0.5741522162924999
Energy: 0.5117450563414412
Energy: 0.5741522162914645
Energy: 0.5117450563414412
Energy: 0.5741522162931902
Energy: 0.5117450563376446
Energy: 0.5077834712670063
Energy: 0.518169011740955
Energy: 0.5077834712656257
Energy: 0.5181690117381937
Energy: 0.5077834712666611
Energy: 0.518169011738884
Energy: 0.5563001636242729
Energy: 0.5502622162511238
Energy: 0.5563001636273793
Energy: 0.5502622162511238
Energy: 0.5563001636246182
Energy: 0.5502622162504335
Energy: 0.516275237300887
Energy: 0.5922222383551933
Energy: 0.5162752373019224
Energy: 0.5922222383551933
Energy: 0.516275237300887
Energy: 0.5922222383534677
Energy: 0.5117348346586642
Energy: 0.508360947259889
Energy: 0.5117348346590094
Energy: 0.5083609472602342
Energy: 0.5117348346593545
Energy: 0.5083609472588535
Energy: 0.5445866693129618
Energy: 0.5140777430599833
Energy: 0.5445866693077847
Energy: 0.5140777430610187
Energy: 0.5445866693032978
Energy: 0.5140777430617091
Energy: 0.48222177585507725
Energy: 0.5340926686512514
Energy: 0.4822217758581836
Energy: 0.5340926686509062
Energy: 0.48222177585438697
Energy: 0.5340926686471096
Energy: 0.5172893696510077
Energy: 0.49340503434405125
Energy: 0.5172893696496272
Energy: 0.49340503434370603
Energy: 0.5172893696510077
Energy: 0.4934050343447415
Energy: 0.47100519651682027
Energy: 0.6061642230687002
Energy: 0.4710049691437949
Energy: 0.6061642230690453
Energy: 0.47100519651682027
Energy: 0.6061642230724968
Energy: 0.579596510692123
Energy: 0.4633103979219164
Energy: 0.5795965106910876
Energy: 0.46331039792226164
Energy: 0.5795965106897071
Energy: 0.4633103979219164
Energy: 0.49300840467031976
Energy: 0.5318256782685555
Energy: 0.4930032893859879
Energy: 0.5318256782678652
Energy: 0.49300840467031976
Energy: 0.5318256782706264
Energy: 0.5149779909646813
Energy: 0.5012029304135179
Energy: 0.5149779909636459
Energy: 0.5012029304135179
Energy: 0.5149779909629557
Energy: 0.5012029304128276
Energy: 0.5168503039027257
Energy: 0.5422458727403177
Energy: 0.5168503039030709
Energy: 0.5422458727420434
Energy: 0.5168503039027257
Energy: 0.5422458727375564
Energy: 0.5495118789184315
Energy: 0.5030412334870394
Energy: 0.5495118789163606
Energy: 0.5030412334873845
Energy: 0.5495118789191218
Energy: 0.5030412334784108
Energy: 0.5069744052758977
Energy: 0.5004501382599951
Energy: 0.5069744052741719
Energy: 0.5004501382582693
Energy: 0.5069744052758977
Energy: 0.500450138262066
Energy: 0.570770275207558
Energy: 0.5206034249785284
Energy: 0.5707702752065225
Energy: 0.5206034249788736
Energy: 0.570770275207903
Energy: 0.5206034249764575
Energy: 0.5155920771097792
Energy: 0.5015418684445491
Energy: 0.5155920771087438
Energy: 0.5015418684445491
Energy: 0.515592077107018
Energy: 0.5015418684417878
Energy: 0.5115252349793762
Energy: 0.5343983646874947
Energy: 0.5115252349797214
Energy: 0.5343983646864593
Energy: 0.511525234979031
Energy: 0.5343983646906011
Energy: 0.5406476316073079
Energy: 0.5138799894223747
Energy: 0.5406476316045468
Energy: 0.5138799894220295
Energy: 0.5406476316073079
Energy: 0.5138799894241004
Energy: 0.46785329143214466
Energy: 0.5341216566184729
Energy: 0.4678532914331487
Energy: 0.5341216566246855
Energy: 0.46785329143214466
Energy: 0.5341216566246855
Energy: 0.5619723960631503
Energy: 0.5067992223101826
Energy: 0.5619723960652212
Energy: 0.5067992223101826
Energy: 0.5619723960648759
Energy: 0.5067992223056957
Energy: 0.46156297449894346
Energy: 0.6145575799445163
Energy: 0.4615608203578533
Energy: 0.6145575799441712
Energy: 0.46156297449894346
Energy: 0.6145575799424455
Energy: 0.5795217293415182
Energy: 0.5174640509844096
Energy: 0.5795217293394473
Energy: 0.5174640509844096
Energy: 0.5795217293422085
Energy: 0.517464050985445
Energy: 0.5080789193661914
Energy: 0.5116276367690129
Energy: 0.5079791354613465
Energy: 0.5116276367679774
Energy: 0.5080789193658463
Energy: 0.5116276367724644
Energy: 0.533325090545088
Energy: 0.5812391885923961
Energy: 0.514036088617687
Energy: 0.5812391885923961
Energy: 0.5333250905454332
Energy: 0.5812391885958474
Energy: 0.5338974981475259
Energy: 0.56894173684107
Energy: 0.5141666234086862
Energy: 0.5689417368414152
Energy: 0.5338974981454551
Energy: 0.5689417368403797
Energy: 0.5151972709549714
Energy: 0.530539851196778
Energy: 0.5151972709535908
Energy: 0.530539851196778
Energy: 0.5151972709546261
Energy: 0.5305398511978133
Energy: 0.6033066912660151
Energy: 0.5011604726823167
Energy: 0.6033066912687763
Energy: 0.5011604726823167
Energy: 0.6033066912663603
Energy: 0.5011604726764807
Energy: 0.4616801066006339
Energy: 0.5894109721782597
Energy: 0.46168010660201453
Energy: 0.5894109721772243
Energy: 0.46168010660028885
Energy: 0.5894109721768791
Energy: 0.5156360128328858
Energy: 0.49341766593329744
Energy: 0.5156360128280539
Energy: 0.49341766593329744
Energy: 0.515636012828399
Energy: 0.4934176659329522
Energy: 0.5030637162147903
Energy: 0.5149141709616794
Energy: 0.503063716216516
Energy: 0.5149141709647859
Energy: 0.5030637162144452
Energy: 0.5149141709682372
Energy: 0.5404151047520886
Energy: 0.5139701703269157
Energy: 0.540415104750708
Energy: 0.5139701703269157
Energy: 0.5404151047517436
Energy: 0.5139701703279512
Energy: 0.50280622507768
Energy: 0.5484761688886198
Energy: 0.5028062250780251
Energy: 0.5484761688886198
Energy: 0.5028062250773349
Energy: 0.5484761688934519
Energy: 0.5184840305738635
Energy: 0.5082389977480891
Energy: 0.5184840305790406
Energy: 0.5082389977480891
Energy: 0.5184840305748989
Energy: 0.508238997744669
Energy: 0.5525199587948494
Energy: 0.5556543092162444
Energy: 0.5525199587948494
Energy: 0.5556543092158993
Energy: 0.5525199587948494
Energy: 0.5556543092234925
Energy: 0.5017925134885445
Energy: 0.5170924211226244
Energy: 0.5017985724700257
Energy: 0.5170924211208987
Energy: 0.5017925134885445
Energy: 0.5170924211212439
Energy: 0.5341715131317072
Energy: 0.5124484933907663
Energy: 0.5341715131310169
Energy: 0.5124484933907663
Energy: 0.5341715131306717
Energy: 0.5124484933890406
Energy: 0.5169337798121194
Energy: 0.5427680323987712
Energy: 0.5169337798117744
Energy: 0.5427680323984261
Energy: 0.5169337798121194
Energy: 0.5427680323973907
Energy: 0.5343321840501403
Energy: 0.48044201715731644
Energy: 0.5343321840439278
Energy: 0.48044201715731644
Energy: 0.5343321840477243
Energy: 0.4804420171576616
Energy: 0.4929949985297603
Energy: 0.515774206775611
Energy: 0.49299499853148593
Energy: 0.515774206775611
Energy: 0.4929949985297603
Energy: 0.5157742067745755

minimum gb energy = 0.4615608203578533 eV
minimum distance =  2.65118831656231 Angstroms
sigma value = 51


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

Energy: 0.5423233886077419
Energy: 0.5536474720865262
Energy: 0.5423233886077419
Energy: 0.5536474720857264
Energy: 0.5423233886085417
Energy: 0.5536474720865262
Energy: 0.5874908415984423
Energy: 0.49334569549969526
Energy: 0.5874908415984423
Energy: 0.49334569549969526
Energy: 0.5874908415984423
Energy: 0.49334569549969526
Energy: 0.4850987780003898
Energy: 0.5370961997040911
Energy: 0.48509877799959017
Energy: 0.5370961996929134
Energy: 0.48509877799959017
Energy: 0.537096199660126
Energy: 0.5136486232768654
Energy: 0.47303675134910045
Energy: 0.5136486232776651
Energy: 0.47303675134990014
Energy: 0.5136486232776651
Energy: 0.47303675134910045
Energy: 0.5518361634161983
Energy: 0.5244375666068799
Energy: 0.5518361634161983
Energy: 0.5244375666076796
Energy: 0.5518361634161983
Energy: 0.5244375666060802
Energy: 0.5662383845049288
Energy: 0.5243798993453426
Energy: 0.5662383845049288
Energy: 0.524379899344543
Energy: 0.5662383845049288
Energy: 0.524379899344543
Energy: 0.5427475187657071
Energy: 0.5267238831836202
Energy: 0.5427475187665068
Energy: 0.5267238831836202
Energy: 0.5427475187665068
Energy: 0.5267238831836202
Energy: 0.4844887952421799
Energy: 0.5249240590347468
Energy: 0.4844887952413803
Energy: 0.5249240590355464
Energy: 0.4844887952421799
Energy: 0.5249240590347468
Energy: 0.6013916421210683
Energy: 0.4673040375011163
Energy: 0.6013916421210683
Energy: 0.4673040375011163
Energy: 0.6013916421210683
Energy: 0.4673040375011163
Energy: 0.4930347679685429
Energy: 0.6146612069551513
Energy: 0.4930347679677432
Energy: 0.614661206955951
Energy: 0.4930347679685429
Energy: 0.6146612069551513
Energy: 0.6078586723501359
Energy: 0.47592711493898354
Energy: 0.6078586723517352
Energy: 0.47592711493898354
Energy: 0.6078586723517352
Energy: 0.47592711493898354
Energy: 0.5531301172938012
Energy: 0.5549325769712837
Energy: 0.5531301172938012
Energy: 0.5549325769712837
Energy: 0.5531301172938012
Energy: 0.5549325769720834
Energy: 0.618158391173549
Energy: 0.49480340122334393
Energy: 0.618158391173549
Energy: 0.49480340122334393
Energy: 0.6181583911743487
Energy: 0.49480340122334393
Energy: 0.48610396367963304
Energy: 0.5196786476377163
Energy: 0.4861039636788334
Energy: 0.5196786476409151
Energy: 0.48610396367963304
Energy: 0.5196786476425145
Energy: 0.5210333627881611
Energy: 0.5403557941156467
Energy: 0.5210333627881611
Energy: 0.5403557941156467
Energy: 0.5210333627881611
Energy: 0.5403557941156467
Energy: 0.5711606927924143
Energy: 0.5242231215022303
Energy: 0.5711606927916145
Energy: 0.5242231215014306
Energy: 0.5711606927916145
Energy: 0.5242231215022303
Energy: 0.5331951342250358
Energy: 0.6087970490039262
Energy: 0.5331951342242361
Energy: 0.6087970490039262
Energy: 0.5331951342242361
Energy: 0.6087970490039262
Energy: 0.5036653214398829
Energy: 0.5240656703980286
Energy: 0.5036653214398829
Energy: 0.5240656703980286
Energy: 0.5036653214398829
Energy: 0.5240656703980286

minimum gb energy = 0.4673040375011163 eV
minimum distance =  2.58240052019024 Angstroms
sigma value = 19


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

Energy: 0.4844490539131683
Energy: 0.4489570467214396
Energy: 0.46327276859489236
Energy: 0.4489570467214396
Energy: 0.48444905391269394
Energy: 0.4489570467223884
Energy: 0.5761252410708589
Energy: 0.5526379755556936
Energy: 0.5761252410708589
Energy: 0.552637975556168
Energy: 0.5761252410708589
Energy: 0.5526379755552192
Energy: 0.41677395403539763
Energy: 0.5695579229896023
Energy: 0.4167739540363463
Energy: 0.5695579229886535
Energy: 0.4167739540358719
Energy: 0.5695579229877049
Energy: 0.5445287387260542
Energy: 0.4167554744560149
Energy: 0.5445287387279516
Energy: 0.4167554744560149
Energy: 0.5445287387255798
Energy: 0.41675547445222
Energy: 0.45439410688932835
Energy: 0.49804087567574035
Energy: 0.4543941068912258
Energy: 0.49804087567574035
Energy: 0.45439410688932835
Energy: 0.4980408756780906
Energy: 0.4305536676932729
Energy: 0.4979263841130142
Energy: 0.4305536676932729
Energy: 0.4979263841130142
Energy: 0.4305536676932729
Energy: 0.49792638411443724
Energy: 0.510990201650814
Energy: 0.4168339025522848
Energy: 0.5109902016517628
Energy: 0.4168339025522848
Energy: 0.5109902016512884
Energy: 0.41683390254991304
Energy: 0.41678003155907795
Energy: 0.5475309219136344
Energy: 0.41678324636526637
Energy: 0.5475309219126857
Energy: 0.41678003155907795
Energy: 0.5475309219136344
Energy: 0.4820138185536781
Energy: 0.5744354972241792
Energy: 0.48201381855510117
Energy: 0.5744354972241792
Energy: 0.48201381855652425
Energy: 0.5744354972246536
Energy: 0.4632727685934693
Energy: 0.4489570467214396
Energy: 0.46327276859441796
Energy: 0.4489570467209653
Energy: 0.4632727685934693
Energy: 0.4489570467223884
Energy: 0.5761252410713333
Energy: 0.5526379755556936
Energy: 0.5761252410718077
Energy: 0.5526379755556936
Energy: 0.5761252410713333
Energy: 0.5526379755552192
Energy: 0.416773954037295
Energy: 0.5695579229886535
Energy: 0.4167739540382437
Energy: 0.5695579229877049
Energy: 0.416773954037295
Energy: 0.5695579229881792
Energy: 0.5445287387251055
Energy: 0.4167507850386973
Energy: 0.5445287387260542
Energy: 0.4167507850386973
Energy: 0.5445287387251055
Energy: 0.4167507850391717
Energy: 0.4543941068898027
Energy: 0.49804087567574035
Energy: 0.4543941068912258
Energy: 0.4980408756762147
Energy: 0.4543941068902771
Energy: 0.49804087567714184
Energy: 0.4305536676937473
Energy: 0.49792638411348855
Energy: 0.43055366769137554
Energy: 0.49792638411348855
Energy: 0.4305536676932729
Energy: 0.49792638411443724
Energy: 0.510990201650814
Energy: 0.4168339025513361
Energy: 0.5109902016512884
Energy: 0.4168339025513361
Energy: 0.510990201650814
Energy: 0.41683390254801567
Energy: 0.4168027784075541
Energy: 0.547530921915532
Energy: 0.4167321864528694
Energy: 0.5475309219164806
Energy: 0.4168027784075541
Energy: 0.547530921915532
Energy: 0.48398716303717965
Energy: 0.5744354972232306
Energy: 0.4820138185541525
Energy: 0.5744354972232306
Energy: 0.48398716303717965
Energy: 0.5744354972246536
Energy: 0.4844490539136427
Energy: 0.4489570467214396
Energy: 0.46327276859536665
Energy: 0.4489570467214396
Energy: 0.4844490539136427
Energy: 0.4489570467223884
Energy: 0.5761252410703847
Energy: 0.5526379755552192
Energy: 0.5761252410708589
Energy: 0.5526379755556936
Energy: 0.5761252410703847
Energy: 0.5526379755547448
Energy: 0.41677395403539763
Energy: 0.5695579229886535
Energy: 0.41677395403682077
Energy: 0.5695579229881792
Energy: 0.4167739540358719
Energy: 0.5695579229877049
Energy: 0.5445287387251055
Energy: 0.4167554744545918
Energy: 0.5445287387274773
Energy: 0.4167554744545918
Energy: 0.5445287387255798
Energy: 0.41675547445222
Energy: 0.4543941068902771
Energy: 0.4980408756762147
Energy: 0.4543941068917001
Energy: 0.49804087567526595
Energy: 0.4543941068902771
Energy: 0.4980408756780906
Energy: 0.4305536676923242
Energy: 0.4979263841130142
Energy: 0.43055366769184994
Energy: 0.4979263841130142
Energy: 0.4305536676923242
Energy: 0.4979263841139629
Energy: 0.5109902016517628
Energy: 0.4168339025513361
Energy: 0.5109902016517628
Energy: 0.4168339025513361
Energy: 0.5109902016517628
Energy: 0.41683390254896435
Energy: 0.4167800315586037
Energy: 0.5475309219150576
Energy: 0.41678324636526637
Energy: 0.5475309219145832
Energy: 0.4167800315586037
Energy: 0.547530921915532
Energy: 0.4820138185541525
Energy: 0.5744354972237049
Energy: 0.4820138185546268
Energy: 0.5744354972237049
Energy: 0.4820138185555755
Energy: 0.5744354972256024
Energy: 0.46327276859394356
Energy: 0.4489570467214396
Energy: 0.4632727685934693
Energy: 0.4489570467214396
Energy: 0.46327276859394356
Energy: 0.4489570467223884
Energy: 0.5761252410713333
Energy: 0.552637975556168
Energy: 0.5761252410713333
Energy: 0.552637975556168
Energy: 0.5761252410713333
Energy: 0.5526379755552192
Energy: 0.4167739540363463
Energy: 0.5695579229886535
Energy: 0.41677395403682077
Energy: 0.5695579229881792
Energy: 0.4167739540363463
Energy: 0.5695579229877049

minimum gb energy = 0.4167321864528694 eV
minimum distance =  2.58135382881011 Angstroms
sigma value = 27


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

Energy: 0.4731976562270592
Energy: 0.455835688370831
Energy: 0.4731976562270592
Energy: 0.455835688370831
Energy: 0.4731976562282212
Energy: 0.455835688370831
Energy: 0.5316162113366236
Energy: 0.48283367847360065
Energy: 0.5316162113342996
Energy: 0.48283367847360065
Energy: 0.5316162113366236
Energy: 0.48283367847243874
Energy: 0.3759313168663155
Energy: 0.5171981041548683
Energy: 0.3759313168663155
Energy: 0.5171981041560303
Energy: 0.3759313168663155
Energy: 0.5171981041560303
Energy: 0.45880386320966016
Energy: 0.3961944249227665
Energy: 0.458803863211984
Energy: 0.39619442492160467
Energy: 0.4588038632108221
Energy: 0.3961944249227665
Energy: 0.4955011213861177
Energy: 0.4210118477553051
Energy: 0.49550112138727964
Energy: 0.421011847756467
Energy: 0.4955011213861177
Energy: 0.421011847756467
Energy: 0.46701624578802337
Energy: 0.5171451286598728
Energy: 0.4670162457915092
Energy: 0.5171451286621969
Energy: 0.46701624578802337
Energy: 0.5171451286610348
Energy: 0.4093060313231537
Energy: 0.45466496100471165
Energy: 0.4093060313231537
Energy: 0.4546649610058736
Energy: 0.4093060313231537
Energy: 0.45466496100471165
Energy: 0.4577119899912876
Energy: 0.4306518126567636
Energy: 0.4577119899912876
Energy: 0.4306518126567636
Energy: 0.4577119899912876
Energy: 0.4306518126567636
Energy: 0.4786434401447957
Energy: 0.43866121357775795
Energy: 0.4786434401424718
Energy: 0.43866121358240573
Energy: 0.4786434401447957
Energy: 0.4386612135800818
Energy: 0.4588955305628731
Energy: 0.5084317444976559
Energy: 0.4588955305628731
Energy: 0.5084317444976559
Energy: 0.4588955305628731
Energy: 0.5084317444988178
Energy: 0.44045217990872326
Energy: 0.3959322520975428
Energy: 0.44045217990872326
Energy: 0.3959322520975428
Energy: 0.44045217990872326
Energy: 0.3959322520975428
Energy: 0.4927377453863594
Energy: 0.47778706277228733
Energy: 0.4927377453863594
Energy: 0.47778708183568913
Energy: 0.4927377453863594
Energy: 0.47778705291423

minimum gb energy = 0.3759313168663155 eV
minimum distance =  2.57909223135642 Angstroms
sigma value = 9


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

Energy: 0.42015435071346213
Energy: 0.40317930918293615
Energy: 0.42015435071313567
Energy: 0.4031793091832626
Energy: 0.42015435071346213
Energy: 0.4031793091832626
Energy: 0.5710927727486179
Energy: 0.36829170707134523
Energy: 0.5710927727473121
Energy: 0.3682917070716717
Energy: 0.5710927727489443
Energy: 0.3834419814221237
Energy: 0.3678421400385694
Energy: 0.5780417661791927
Energy: 0.36784214003726345
Energy: 0.5780417661798456
Energy: 0.36784214003922233
Energy: 0.5780417661804985
Energy: 0.4058854867543358
Energy: 0.38412001884400787
Energy: 0.40588548675368286
Energy: 0.38412001884368135
Energy: 0.40588548675498876
Energy: 0.38412001884400787
Energy: 0.39835319252896106
Energy: 0.3829730229825595
Energy: 0.3983531925309199
Energy: 0.3829730229825595
Energy: 0.3983531925279816
Energy: 0.382973022982233
Energy: 0.4095391511923387
Energy: 0.4005320887358101
Energy: 0.4095391511923387
Energy: 0.4005320887410337
Energy: 0.4095391511907063
Energy: 0.41268186424740183
Energy: 0.3988368087946599
Energy: 0.44147796563199276
Energy: 0.3988368087943335
Energy: 0.4414779656313398
Energy: 0.3988368088038011
Energy: 0.4414779656323192
Energy: 0.36471339355641713
Energy: 0.4457827702441585
Energy: 0.3647133935560906
Energy: 0.4457827702444849
Energy: 0.3647133935560906
Energy: 0.4457827702444849
Energy: 0.5159258827074432
Energy: 0.3821777701095898
Energy: 0.5159258827080961
Energy: 0.38217777010861037
Energy: 0.5159258827071167
Energy: 0.38217777010763093
Energy: 0.404773189213118
Energy: 0.5152219636139154
Energy: 0.40477318921279154
Energy: 0.515221963612283
Energy: 0.40477318921344446
Energy: 0.5152219636116301
Energy: 0.4064182427571794
Energy: 0.3917418831715908
Energy: 0.4064182427571794
Energy: 0.3917418831715908
Energy: 0.4064182427568529
Energy: 0.3917418831715908
Energy: 0.36141671173285517
Energy: 0.42353411316957723
Energy: 0.36141671173187573
Energy: 0.4235341131685978
Energy: 0.3614167117322022
Energy: 0.4235341131663125
Energy: 0.41661954850301336
Energy: 0.3827307796637578
Energy: 0.4166195485056251
Energy: 0.3827307796653902
Energy: 0.41661954850464566
Energy: 0.3827307796650637
Energy: 0.4206824712234437
Energy: 0.49983660597888835
Energy: 0.420682471221188
Energy: 0.49983660597823537
Energy: 0.4206824712234437
Energy: 0.4998366059798678
Energy: 0.38567691425077993
Energy: 0.41655057509599974
Energy: 0.38567691425143286
Energy: 0.41655057509534676
Energy: 0.3856769142511064
Energy: 0.41655057509599974
Energy: 0.3743480793617461
Energy: 0.4004645772236453
Energy: 0.3743480793614196
Energy: 0.40046457722462475
Energy: 0.3743480793630519
Energy: 0.4004645772239718
Energy: 0.47117609814938755
Energy: 0.48824087648240516
Energy: 0.4711760981484081
Energy: 0.48824087648273173
Energy: 0.47117609814938755
Energy: 0.48824087648207876
Energy: 0.39327014916002545
Energy: 0.38729738558833254
Energy: 0.39327014916035186
Energy: 0.38729738558833254
Energy: 0.393270149159699
Energy: 0.38729738558865906
Energy: 0.3674738474883712
Energy: 0.5312061338190391
Energy: 0.3674738474883712
Energy: 0.5312061338193655
Energy: 0.3674738474890242
Energy: 0.5312061338183862
Energy: 0.47093360755971114
Energy: 0.37644648256819346
Energy: 0.4709336075606906
Energy: 0.37644648256819346
Energy: 0.4709336075600376
Energy: 0.3884936246413175
Energy: 0.36738720163268607
Energy: 0.5311725657568188
Energy: 0.3673872016330126
Energy: 0.5311725657568188
Energy: 0.3673872016320332
Energy: 0.5311725657568188
Energy: 0.39324254903825756
Energy: 0.38733406051688773
Energy: 0.39324254903825756
Energy: 0.38733406051688773
Energy: 0.39324254903891054
Energy: 0.38733406051656116
Energy: 0.47117272690440515
Energy: 0.48811999346481466
Energy: 0.4711727269047316
Energy: 0.488119993460897
Energy: 0.47117272690440515
Energy: 0.4881199934605705
Energy: 0.3744050620458349
Energy: 0.40337725058534135
Energy: 0.37440506204452895
Energy: 0.40337725058827967
Energy: 0.3744050620497525
Energy: 0.4033772505856678
Energy: 0.3857662587899863
Energy: 0.41637597031902596
Energy: 0.38576625879031273
Energy: 0.4163759703196789
Energy: 0.38576625879129217
Energy: 0.41637597031902596
Energy: 0.42069210593297485
Energy: 0.4018035842068573
Energy: 0.42069210593460726
Energy: 0.4018035842068573
Energy: 0.4206921059333014
Energy: 0.4018035842075102
Energy: 0.41682532232578995
Energy: 0.382354825561024
Energy: 0.41682532232415764
Energy: 0.3823548255593917
Energy: 0.4168253223238311
Energy: 0.38235482555677985
Energy: 0.36141874900303395
Energy: 0.40702017002265206
Energy: 0.3614187490017281
Energy: 0.40702017002395796
Energy: 0.36141874900303395
Energy: 0.4070201700242844
Energy: 0.40641798483724517
Energy: 0.3915422352655562
Energy: 0.40641798483789815
Energy: 0.3915422352655562
Energy: 0.40641798483724517
Energy: 0.39154223526588267
Energy: 0.40478652666025805
Energy: 0.4893615151755267
Energy: 0.4047865266609109
Energy: 0.48936151517520016
Energy: 0.4047865266596051
Energy: 0.4893615151761796
Energy: 0.5158471784469595
Energy: 0.38222032787735594
Energy: 0.5158471784466331
Energy: 0.3822203278747442
Energy: 0.515847178447286
Energy: 0.38222032787702953
Energy: 0.3646299684945786
Energy: 0.44583566205745007
Energy: 0.36462996849425205
Energy: 0.44583566205745007
Energy: 0.36462996849490503
Energy: 0.44583566205745007
Energy: 0.3989256566752927
Energy: 0.44169625332056606
Energy: 0.39892565667594565
Energy: 0.4416962533195867
Energy: 0.39892565667627206
Energy: 0.4416962533208629
Energy: 0.4094544734186787
Energy: 0.3883399548108776
Energy: 0.4094544734131286
Energy: 0.38833995481316286
Energy: 0.40945447342129043
Energy: 0.38833995481544814
Energy: 0.3982802953374441
Energy: 0.3833082691374525
Energy: 0.3982802953345058
Energy: 0.383308269136473
Energy: 0.3982802953335264
Energy: 0.38330826913516713
Energy: 0.40558348486579676
Energy: 0.383999251756547
Energy: 0.4055834848654703
Energy: 0.38399925175687344
Energy: 0.40558348486514384
Energy: 0.383999251756547
Energy: 0.36778705496744835
Energy: 0.5781999153947611
Energy: 0.36778705496712183
Energy: 0.5781999153944346
Energy: 0.36778705496744835
Energy: 0.5781999153947611
Energy: 0.5710233381104161
Energy: 0.3682189103707315
Energy: 0.5710233381104161
Energy: 0.36821891037040505
Energy: 0.5710233381104161
Energy: 0.36821891037040505
Energy: 0.4201543507150945
Energy: 0.40317930918682415
Energy: 0.42015435071542095
Energy: 0.40317930918845657
Energy: 0.4201543507144415
Energy: 0.4031793091871506
Energy: 0.5710927727486179
Energy: 0.37535970707487365
Energy: 0.5710927727492708
Energy: 0.37535970707487365
Energy: 0.5710927727486179
Energy: 0.37535970707454724
Energy: 0.36784214003922233
Energy: 0.5780417661769073
Energy: 0.36784214004020177
Energy: 0.5780417661772338
Energy: 0.36784214003922233
Energy: 0.578041766180172
Energy: 0.4058854867543358
Energy: 0.38412001884400787
Energy: 0.4058854867533564
Energy: 0.38412001884433433
Energy: 0.40588548675368286
Energy: 0.38412001884400787
Energy: 0.3983531925309199
Energy: 0.38297302298158004
Energy: 0.3983531925292876
Energy: 0.38297302298190655
Energy: 0.3983531925286346
Energy: 0.3829730229812536

minimum gb energy = 0.36141671173187573 eV
minimum distance =  2.64500944271965 Angstroms
sigma value = 57


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

Energy: 0.20868238319234947
Energy: 0.19685130980897964
Energy: 0.14317920331989611
Energy: 0.19685130980897964
Energy: 0.20868238319234947
Energy: 0.1968513098097228
Energy: 0.29453338515770877
Energy: 0.4386147658232544
Energy: 0.29453338515770877
Energy: 0.43861476582399755
Energy: 0.29453338515770877
Energy: 0.4386147658210249
Energy: 0.23462756288533115
Energy: 0.3546522481689428
Energy: 0.2346275628868175
Energy: 0.3546522482996734
Energy: 0.23462756288533115
Energy: 0.3546522484385789
Energy: 0.19813407576788128
Energy: 0.14335557655897227
Energy: 0.19813407576788128
Energy: 0.1433555765582291
Energy: 0.19813407576788128
Energy: 0.14335557655748593
Energy: 0.2420109270564999
Energy: 0.2934265332044041
Energy: 0.24201092705575675
Energy: 0.2934265332044041
Energy: 0.2420109270564999
Energy: 0.2934265332051473
Energy: 0.14333201117841635
Energy: 0.23444642644988434
Energy: 0.1433320111776732
Energy: 0.23444642644988434
Energy: 0.14333201117841635
Energy: 0.23444642644914118
Energy: 0.14333116814774138
Energy: 0.18454073179513933
Energy: 0.14333116814922772
Energy: 0.18454073179513933
Energy: 0.14333116814848454
Energy: 0.18454073179513933
Energy: 0.29421569229769334
Energy: 0.24135684008363442
Energy: 0.29421569229769334
Energy: 0.24135684008363442
Energy: 0.29421569229769334
Energy: 0.24135684008289127
Energy: 0.1982225547712963
Energy: 0.14336131220974746
Energy: 0.19822255477055314
Energy: 0.14336131220974746
Energy: 0.19822255477203948
Energy: 0.14336131221197698
Energy: 0.18479700434205568
Energy: 0.2789835948851143
Energy: 0.18479700434131252
Energy: 0.2789835948851143
Energy: 0.18479700434131252
Energy: 0.27898359488585744
Energy: 0.24196788479040765
Energy: 0.279027226708362
Energy: 0.24196788479115086
Energy: 0.2790272267098483
Energy: 0.24196788479040765
Energy: 0.27902722670761887
Energy: 0.20868238319160629
Energy: 0.19685130980897964
Energy: 0.14317920331989611
Energy: 0.19685130980897964
Energy: 0.20868238319160629
Energy: 0.1968513098097228
Energy: 0.29453338515845195
Energy: 0.43861476582028175
Energy: 0.29453338515845195
Energy: 0.43861476582028175
Energy: 0.29453338515845195
Energy: 0.43861476581953857
Energy: 0.23462756288533115
Energy: 0.3546522481637405
Energy: 0.2346275628860743
Energy: 0.3546522482996734
Energy: 0.23462756288533115
Energy: 0.3546522484497264
Energy: 0.1981340757649086
Energy: 0.14335557655674278
Energy: 0.19813407576416545
Energy: 0.14335557655748593
Energy: 0.1981340757649086
Energy: 0.1433555765559996
Energy: 0.24201092705724309
Energy: 0.29342653320217454
Energy: 0.24201092705724309
Energy: 0.29342653320217454
Energy: 0.24201092705724309
Energy: 0.2934265332029177
Energy: 0.14333201117915953
Energy: 0.23444642645062752
Energy: 0.14333201117915953
Energy: 0.23444642645062752
Energy: 0.14333201117915953
Energy: 0.23444642644914118
Energy: 0.14333116814774138
Energy: 0.18454073179290978
Energy: 0.14333116814922772
Energy: 0.18454073179290978
Energy: 0.14333116814774138
Energy: 0.18454073179439612
Energy: 0.294215692296207
Energy: 0.24135684008289127
Energy: 0.2942156922947544
Energy: 0.24135684008289127
Energy: 0.2942156922969501
Energy: 0.2413568400821481

minimum gb energy = 0.14317920331989611 eV
minimum distance =  2.763339897245 Angstroms
sigma value = 11


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

Energy: 0.3709838864591148
Energy: 0.38253917815721267
Energy: 0.3709838864585704
Energy: 0.38253917815775706
Energy: 0.3709838864591148
Energy: 0.38253917815721267
Energy: 0.4291539605693909
Energy: 0.3549493162869488
Energy: 0.42915396057047966
Energy: 0.35494931628749316
Energy: 0.4291539605693909
Energy: 0.35494931628749316
Energy: 0.40570959447019656
Energy: 0.5417320001082999
Energy: 0.40570959447019656
Energy: 0.5417320001093888
Energy: 0.42763762873103167
Energy: 0.5417320001088444
Energy: 0.41967014670807345
Energy: 0.33744897974191945
Energy: 0.4196701467069847
Energy: 0.33744897974137505
Energy: 0.41967014670916225
Energy: 0.33744897974191945
Energy: 0.36905211769808044
Energy: 0.31526577438757114
Energy: 0.36905211769753604
Energy: 0.31526577438702663
Energy: 0.36905211769753604
Energy: 0.31526577438702663
Energy: 0.3898193340528327
Energy: 0.3974616138959824
Energy: 0.38981933405501024
Energy: 0.39746161389543794
Energy: 0.3898193340544658
Energy: 0.39746161389543794
Energy: 0.3207396249768419
Energy: 0.4637973606001132
Energy: 0.3207396249768419
Energy: 0.46379736059956883
Energy: 0.32073962497520875
Energy: 0.4637973606001132
Energy: 0.3894122584345735
Energy: 0.29748815151835817
Energy: 0.3894122584340292
Energy: 0.2974881515178137
Energy: 0.3894122584340292
Energy: 0.2974881515178137
Energy: 0.38817913316356817
Energy: 0.29519804698978724
Energy: 0.3881791331624794
Energy: 0.29519804698978724
Energy: 0.3881791331630237
Energy: 0.2951980469903317
Energy: 0.3133907912129945
Energy: 0.46792321283841803
Energy: 0.3133907912129945
Energy: 0.46792321283678484
Energy: 0.31339079121353886
Energy: 0.46792321283841803
Energy: 0.5017948722475225
Energy: 0.4610510114687979
Energy: 0.5017948722475225
Energy: 0.4610510114687979
Energy: 0.5017948722486113
Energy: 0.4610510114687979
Energy: 0.35635267564359885
Energy: 0.3122687516854606
Energy: 0.3563526756441433
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Energy: 0.3563526756441433
Energy: 0.31226875168437185
Energy: 0.3980418646558728
Energy: 0.33898346915487315
Energy: 0.39804186465532854
Energy: 0.3389834691543288
Energy: 0.39804186465532854
Energy: 0.33898346915541755
Energy: 0.41340655982084445
Energy: 0.52373424337963
Energy: 0.41340655982193314
Energy: 0.5237342433801744
Energy: 0.41340655982138885
Energy: 0.5237342433790856
Energy: 0.4911704541538247
Energy: 0.356763618866346
Energy: 0.49117045415491356
Energy: 0.356763618866346
Energy: 0.4911704541538247
Energy: 0.356763618866346
Energy: 0.37132824768853473
Energy: 0.3831698519406156
Energy: 0.37132824768853473
Energy: 0.38316985193952685
Energy: 0.37132824768853473
Energy: 0.3831698519400713
Energy: 0.34315256158122076
Energy: 0.35332692611228717
Energy: 0.34315256158013197
Energy: 0.35332692611228717
Energy: 0.34315256157958757
Energy: 0.35332692611228717
Energy: 0.4646908103123074
Energy: 0.533790086545981
Energy: 0.464690810311763
Energy: 0.5337900865454366
Energy: 0.4646908103123074
Energy: 0.5337900865443479
Energy: 0.4200527526249846
Energy: 0.33689226235687925
Energy: 0.42005275262661773
Energy: 0.3368922623557904
Energy: 0.4200527526244402
Energy: 0.33689226235687925
Energy: 0.36159221570445876
Energy: 0.35731342354153023
Energy: 0.36159221570445876
Energy: 0.3573134235409859
Energy: 0.36159221570337
Energy: 0.35731342354153023
Energy: 0.30942976032366454
Energy: 0.3991591358712682
Energy: 0.30942976032312014
Energy: 0.3991591358712682
Energy: 0.3094297603242089
Energy: 0.3991591358712682
Energy: 0.3968384887282382
Energy: 0.4266434877666474
Energy: 0.3968384846139533
Energy: 0.4266434877666474
Energy: 0.3968384867579009
Energy: 0.4266434877666474
Energy: 0.41985650414245856
Energy: 0.36445176673075963
Energy: 0.41985650414245856
Energy: 0.3644517667318484
Energy: 0.4198565041430029
Energy: 0.3644517667313041
Energy: 0.38835473352639405
Energy: 0.3393967633325922
Energy: 0.3883547335269385
Energy: 0.3393967633325922
Energy: 0.3883547335269385
Energy: 0.3393967633320478
Energy: 0.31064078280390384
Energy: 0.46629142696890596
Energy: 0.3106407828033594
Energy: 0.46629142696890596
Energy: 0.31064078280281504
Energy: 0.4662914269699947
Energy: 0.5574249903173408
Energy: 0.4625294999042323
Energy: 0.5574249903167964
Energy: 0.4625294999042323
Energy: 0.5574249903178852
Energy: 0.46252949990368786

minimum gb energy = 0.29519804698978724 eV
minimum distance =  2.64463917555337 Angstroms
sigma value = 41


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

Energy: 0.42038673425046635
Energy: 0.3478084542045572
Energy: 0.4203867342508954
Energy: 0.3478084542045572
Energy: 0.42038673425046635
Energy: 0.3478084542045572
Energy: 0.438158377883656
Energy: 0.4123288269269216
Energy: 0.43815837788451417
Energy: 0.4123288269269216
Energy: 0.4381583778832464
Energy: 0.4123288269269216
Energy: 0.49835616683977507
Energy: 0.6022136531310917
Energy: 0.4983561668402041
Energy: 0.6022136531310917
Energy: 0.4983561668402041
Energy: 0.6022136531310917
Energy: 0.3869682213115645
Energy: 0.3365908949870424
Energy: 0.38696822131113545
Energy: 0.3365908949870424
Energy: 0.3869682213115645
Energy: 0.3365908949874715
Energy: 0.30755211896384177
Energy: 0.37649623540331256
Energy: 0.30755211896384177
Energy: 0.37649623540331256
Energy: 0.3075521189634127
Energy: 0.37649623540331256
Energy: 0.4342290374790646
Energy: 0.4939783885762723
Energy: 0.4342290374790646
Energy: 0.49397838857670134
Energy: 0.4342290374786355
Energy: 0.4939783885762723
Energy: 0.35185984845059604
Energy: 0.5111763085555183
Energy: 0.35185984845145407
Energy: 0.5111763085546602
Energy: 0.3518598484518832
Energy: 0.5111763085546602
Energy: 0.34418369048064745
Energy: 0.3367958181311413
Energy: 0.34418369048064745
Energy: 0.33679581813071224
Energy: 0.34418369048064745
Energy: 0.33679581813071224
Energy: 0.317763485645066
Energy: 0.37151546116105977
Energy: 0.3177634856454951
Energy: 0.37151546116105977
Energy: 0.317763485645066
Energy: 0.37151546116105977
Energy: 0.39149892979149353
Energy: 0.5183638244298427
Energy: 0.3914989297910645
Energy: 0.5183638244294136
Energy: 0.39149892979192263
Energy: 0.5183638244294136
Energy: 0.3911776664289111
Energy: 0.5185126254685394
Energy: 0.39117766642676577
Energy: 0.5185126254685394
Energy: 0.3911776664250495
Energy: 0.5185126254681104
Energy: 0.31603259624627056
Energy: 0.4082395574240503
Energy: 0.3160325962466996
Energy: 0.4082395574240503
Energy: 0.3160325962471287
Energy: 0.4225041663103489
Energy: 0.3383877001901759
Energy: 0.3419666069061948
Energy: 0.3383877001897468
Energy: 0.3419666069057658
Energy: 0.3383877001897468
Energy: 0.3419666069057658
Energy: 0.316548480549627
Energy: 0.4831533025637034
Energy: 0.31654848054919793
Energy: 0.4831533025628453
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Energy: 0.4831533025624162
Energy: 0.5179807345709827
Energy: 0.49319368083832504
Energy: 0.5179807345709827
Energy: 0.49319368083789594
Energy: 0.5179807345714118
Energy: 0.49319368083789594
Energy: 0.31446386679217564
Energy: 0.3990092665118398
Energy: 0.31446386679217564
Energy: 0.3990092665118398
Energy: 0.31446386679217564
Energy: 0.399009266512698
Energy: 0.3437548205745373
Energy: 0.3419937578151069
Energy: 0.3437548205745373
Energy: 0.34199375781467783
Energy: 0.3437548205745373
Energy: 0.34199375781467783
Energy: 0.4181973550702823
Energy: 0.6036167482368182
Energy: 0.4181973550707114
Energy: 0.6036167482372473
Energy: 0.4181973550707114
Energy: 0.6036167482368182
Energy: 0.4683281513881045
Energy: 0.41280237985397233
Energy: 0.4683281513876755
Energy: 0.41280237985397233
Energy: 0.4683281513876755
Energy: 0.41280237985397233
Energy: 0.4196218950620187
Energy: 0.45175082553029994
Energy: 0.4196218950620187
Energy: 0.451750825530729
Energy: 0.4196218950620187
Energy: 0.451750825530729
Energy: 0.31747109494515263
Energy: 0.4128252170906146
Energy: 0.3174710949455817
Energy: 0.4128252170910437
Energy: 0.3174710949460108
Energy: 0.4128252170901856
Energy: 0.4976343780662659
Energy: 0.5537371491278037
Energy: 0.4976343780662659
Energy: 0.5537371491265164
Energy: 0.4976343780662659
Energy: 0.5537371491273746
Energy: 0.3877369070493908
Energy: 0.33828451474619364
Energy: 0.3877369070493908
Energy: 0.33828451474619364
Energy: 0.3877369070493908
Energy: 0.33828451474619364
Energy: 0.3143592901922482
Energy: 0.4621357682038694
Energy: 0.3143592901922482
Energy: 0.4621357682034404
Energy: 0.31435929019181913
Energy: 0.4621357682034404
Energy: 0.3166371665581825
Energy: 0.46479848433334453
Energy: 0.3166371665581825
Energy: 0.46479848433334453
Energy: 0.31663716655861157
Energy: 0.46479848433334453
Energy: 0.35180517997582433
Energy: 0.3507609162632314
Energy: 0.3518051799762534
Energy: 0.35076091626408956
Energy: 0.35180517997539523
Energy: 0.35076091626366057
Energy: 0.3454141306552062
Energy: 0.33832414762096497
Energy: 0.3454141306552062
Energy: 0.3383241476205359
Energy: 0.3454141306552062
Energy: 0.3383241476205359
Energy: 0.3549357837559802
Energy: 0.4445533151895839
Energy: 0.35493578375555124
Energy: 0.4445533151895839
Energy: 0.3549357837559802
Energy: 0.4445533151891548
Energy: 0.39123253015887405
Energy: 0.42142110664385113
Energy: 0.39123253015887405
Energy: 0.42142110664428023
Energy: 0.39123253015887405
Energy: 0.42142110664428023
Energy: 0.5216744436886528
Energy: 0.3160120853589573
Energy: 0.5216744436890819
Energy: 0.3160120853589573
Energy: 0.5216744436886528
Energy: 0.31601208536024444
Energy: 0.31750104819249353
Energy: 0.3890523926580511
Energy: 0.31750104819249353
Energy: 0.3890523926593383
Energy: 0.31750104819249353
Energy: 0.38905239265848013
Energy: 0.339856223093275
Energy: 0.3406317082889373
Energy: 0.33985622309284597
Energy: 0.3406317082889373
Energy: 0.3398562230915587
Energy: 0.3406317082889373
Energy: 0.3166956013265112
Energy: 0.40539635998258083
Energy: 0.3166956013265112
Energy: 0.4053963599830099
Energy: 0.3166956013260821
Energy: 0.405396359983439

minimum gb energy = 0.3075521189634127 eV
minimum distance =  2.66325769821505 Angstroms
sigma value = 33


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

Energy: 0.37397763879321544
Energy: 0.33705982919553457
Energy: 0.37397763879321544
Energy: 0.33705982919553457
Energy: 0.37397763879291435
Energy: 0.33705982919523336
Energy: 0.4156137233964312
Energy: 0.33386770044658043
Energy: 0.4156137233988403
Energy: 0.33386770044658043
Energy: 0.4156137233964312
Energy: 0.33386770044658043
Energy: 0.5574763667846135
Energy: 0.5867474001846176
Energy: 0.5574763667834091
Energy: 0.5867474001843165
Energy: 0.5574763667840114
Energy: 0.5867474001843165
Energy: 0.38258297740851016
Energy: 0.34103305959712765
Energy: 0.38258297740820907
Energy: 0.34103305959712765
Energy: 0.38258297740820907
Energy: 0.3410330595968265
Energy: 0.3357292943730856
Energy: 0.5506442051341893
Energy: 0.33572929437398896
Energy: 0.5506442051344905
Energy: 0.3357292943727845
Energy: 0.5506442051344905
Energy: 0.49069338708613786
Energy: 0.35253638105869983
Energy: 0.490693387086439
Energy: 0.35253638105809754
Energy: 0.490693387086439
Energy: 0.35253638105809754
Energy: 0.3746024823986855
Energy: 0.4339455462827392
Energy: 0.37460248239928773
Energy: 0.43394554628304033
Energy: 0.3746024823977821
Energy: 0.43394554628213694
Energy: 0.3914852946300479
Energy: 0.4189844894621183
Energy: 0.3914852946333329
Energy: 0.4189844894621183
Energy: 0.3914852946345374
Energy: 0.41898448946151595
Energy: 0.5494061669822394
Energy: 0.3937184249132807
Energy: 0.549406166981336
Energy: 0.3937184249132807
Energy: 0.5494061669828417
Energy: 0.3937184249132807
Energy: 0.5195600480672449
Energy: 0.357521128984405
Energy: 0.5195600480681483
Energy: 0.35752112898470617
Energy: 0.5195600480669438
Energy: 0.357521128984405
Energy: 0.39096339281722525
Energy: 0.39132016249365464
Energy: 0.3909633928169242
Energy: 0.3913201624915467
Energy: 0.39096339281812864
Energy: 0.3913201624933534
Energy: 0.5632453760964014
Energy: 0.34093263098304444
Energy: 0.5632453760961003
Energy: 0.34093263098304444
Energy: 0.5632453760970036
Energy: 0.34093263098304444
Energy: 0.35484798164892173
Energy: 0.550046781272707
Energy: 0.3548479816486206
Energy: 0.550046781273008
Energy: 0.3548479816477172
Energy: 0.5500467812721046
Energy: 0.41607865283809636
Energy: 0.390341563304332
Energy: 0.41607865283779527
Energy: 0.39034156330192304
Energy: 0.4160786528374941
Energy: 0.3903415633004174
Energy: 0.41312259491274395
Energy: 0.37604379967073814
Energy: 0.41312259491304504
Energy: 0.376043799672846
Energy: 0.4131225949133462
Energy: 0.37604379967254487
Energy: 0.3516585339719894
Energy: 0.4900081262483583
Energy: 0.35165853397229047
Energy: 0.49000812624805723
Energy: 0.35165853397259167
Energy: 0.4900081262486594
Energy: 0.5544784698525441
Energy: 0.3407702730149297
Energy: 0.5544784698537486
Energy: 0.34077027301523083
Energy: 0.5544784698531464
Energy: 0.3407702730146286
Energy: 0.34265185138158993
Energy: 0.3836896221397812
Energy: 0.3426518513809877
Energy: 0.38368962213917895
Energy: 0.34265185138158993
Energy: 0.3836896221397812
Energy: 0.5788639473721267
Energy: 0.5561350883810328
Energy: 0.5788639473715519
Energy: 0.5561350883810328
Energy: 0.5788639473721267
Energy: 0.5561350883807316
Energy: 0.46385807991000605
Energy: 0.3942354263821092
Energy: 0.463858079907597
Energy: 0.3942354263818081
Energy: 0.46385807990850036
Energy: 0.3942354263821092
Energy: 0.34308163214634396
Energy: 0.3744002958192904
Energy: 0.3430816321475485
Energy: 0.37440029581898926
Energy: 0.3430816321457417
Energy: 0.3744002958192904
Energy: 0.34099878875577094
Energy: 0.4153974754933464
Energy: 0.3409987887560721
Energy: 0.4153974754933464
Energy: 0.34099878875546985
Energy: 0.4153974754936475
Energy: 0.5482760748074917
Energy: 0.4652679025858449
Energy: 0.5482760748074917
Energy: 0.4652679025840381
Energy: 0.548276074808094
Energy: 0.4652679025849415
Energy: 0.34033112291938133
Energy: 0.48242254544991775
Energy: 0.34033112291877904
Energy: 0.4824225454523267
Energy: 0.34033112291847795
Energy: 0.48242254545142327
Energy: 0.3441218192674606
Energy: 0.3407012688283539
Energy: 0.34412181927047186
Energy: 0.3407012688283539
Energy: 0.34412181927047186
Energy: 0.3407012688283539
Energy: 0.35428675046646096
Energy: 0.5503467976860285
Energy: 0.35428675046706326
Energy: 0.5503467976857274
Energy: 0.35428675046706326
Energy: 0.5503467976857274
Energy: 0.4255920525192512
Energy: 0.3741362996441508
Energy: 0.425592052523768
Energy: 0.37413629964445194
Energy: 0.4255920525195523
Energy: 0.3741362996441508
Energy: 0.3761901741090024
Energy: 0.34272403198767165
Energy: 0.3761901741093035
Energy: 0.34272403198767165
Energy: 0.3761901741093035
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Energy: 0.3931288047212867
Energy: 0.550122651455396
Energy: 0.39312880472158773
Energy: 0.5501226514550949
Energy: 0.39312880472158773
Energy: 0.550122651455396
Energy: 0.360323577261152
Energy: 0.5806774559790674
Energy: 0.360323577261152
Energy: 0.5806774559796697
Energy: 0.36032357726085096
Energy: 0.5806774559793686
Energy: 0.3842911104508541
Energy: 0.34480655625984435
Energy: 0.3842911104520586
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Energy: 0.34031907473509554
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Energy: 0.34031907473479445
Energy: 0.5587452731711718
Energy: 0.4641452638280819
Energy: 0.35186359829167435
Energy: 0.4641452638280819
Energy: 0.35186359829227665
Energy: 0.4641452638289853
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Energy: 0.39032114041599175
Energy: 0.4139550383592823
Energy: 0.39032114041298044
Energy: 0.41395503835868
Energy: 0.3903211404144861
Energy: 0.4139550383580778
Energy: 0.39019762160200777
Energy: 0.41397407609360354
Energy: 0.39019762160080323
Energy: 0.41397407609270015
Energy: 0.39019762160140553
Energy: 0.41397407609270015
Energy: 0.46416430147633597
Energy: 0.3518706514446702
Energy: 0.4641643014760348
Energy: 0.3518706514446702
Energy: 0.4641643014769382
Energy: 0.3518706514446702
Energy: 0.3403516041875189
Energy: 0.5586688462344224
Energy: 0.34035160418782007
Energy: 0.5586688462347233
Energy: 0.3403516041875189
Energy: 0.5586688462350244
Energy: 0.3841274557746374
Energy: 0.3447301071809349
Energy: 0.3841274557743363
Energy: 0.3447301071815372
Energy: 0.3841274557740352
Energy: 0.34473010718123603
Energy: 0.3603933767346666
Energy: 0.5806482978312608
Energy: 0.3603933767343655
Energy: 0.5806482978306585
Energy: 0.3603933767346666
Energy: 0.5806482978312608
Energy: 0.39309798488990555
Energy: 0.5501269634448096
Energy: 0.39309798488990555
Energy: 0.5501269634448096
Energy: 0.39309798488930336
Energy: 0.5501269634448096
Energy: 0.3763952567624277
Energy: 0.3427075199707361
Energy: 0.37639525676303
Energy: 0.342707519970435
Energy: 0.37639525676272884
Energy: 0.342707519970435
Energy: 0.4251440802909897
Energy: 0.37388918845190044
Energy: 0.42514408029038736
Energy: 0.3738891884503948
Energy: 0.4251440802909897
Energy: 0.37388918845069596
Energy: 0.3542961114492829
Energy: 0.5506381529877751
Energy: 0.35429611144898177
Energy: 0.5506381529871729
Energy: 0.35429611144837947
Energy: 0.5506381529877751
Energy: 0.34396315754175494
Energy: 0.3407736931248314
Energy: 0.3439631575408516
Energy: 0.34077369312513256
Energy: 0.343963157544164
Energy: 0.34077369312513256
Energy: 0.3402736224501112
Energy: 0.4823665156254451
Energy: 0.3402736224501112
Energy: 0.48236651562725186
Energy: 0.34027362244950893
Energy: 0.4823665156209282
Energy: 0.5479131899295452
Energy: 0.46528276104237426
Energy: 0.5479131899301474
Energy: 0.465282761041772
Energy: 0.5479131899301474
Energy: 0.465282761041772
Energy: 0.3410909540283174
Energy: 0.41541257996244385
Energy: 0.34109095402861855
Energy: 0.4154125799630461
Energy: 0.34109095402801626
Energy: 0.41541257996334724

minimum gb energy = 0.33386770044658043 eV
minimum distance =  2.65400628328236 Angstroms
sigma value = 67


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

Energy: 0.3635285646859809
Energy: 0.3478582411594638
Energy: 0.36352856468639244
Energy: 0.3478582411594638
Energy: 0.36352856468618666
Energy: 0.3478582411594638
Energy: 0.3472209658385657
Energy: 0.3416409233097332
Energy: 0.34722096583877154
Energy: 0.34164092330993906
Energy: 0.3472209658385657
Energy: 0.34164092330993906
Energy: 0.4872432778504084
Energy: 0.4889994120279938
Energy: 0.4872432778506142
Energy: 0.4889994120281997
Energy: 0.5402988986363206
Energy: 0.4889994120281997
Energy: 0.3470970696758149
Energy: 0.3416357132443511
Energy: 0.3470970696758149
Energy: 0.3416357132443511
Energy: 0.3470970696760207
Energy: 0.3416357132443511
Energy: 0.36352856468639244
Energy: 0.3478582411594638
Energy: 0.36352856468659833
Energy: 0.3478582411596696
Energy: 0.36352856468639244
Energy: 0.3478582411596696
Energy: 0.3472209658369648
Energy: 0.34164092331032786
Energy: 0.3472209658371478
Energy: 0.34164092331032786
Energy: 0.347220965836759
Energy: 0.34164092331032786
Energy: 0.5703632508528419
Energy: 0.48899941202719344
Energy: 0.4872432778504084
Energy: 0.48899941202719344
Energy: 0.3868121346357492
Energy: 0.4889994120275822

minimum gb energy = 0.3416357132443511 eV
minimum distance =  2.65854758899487 Angstroms
sigma value = 3


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

Energy: 0.5676768229269493
Energy: 0.41480291375999834
Energy: 0.5676768229272481
Energy: 0.41480291375945055
Energy: 0.5676768229272481
Energy: 0.41480291375945055
Energy: 0.4344590691003564
Energy: 0.4062482207783303
Energy: 0.4344590691049873
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Energy: 0.4344590691052861
Energy: 0.4062482207783303
Energy: 0.45468997843341086
Energy: 0.5197416198300245
Energy: 0.45468997843341086
Energy: 0.5197416197774916
Energy: 0.45468997843341086
Energy: 0.5197416198070195
Energy: 0.48117306435068685
Energy: 0.4123393455769372
Energy: 0.48117306435233004
Energy: 0.4123393455725553
Energy: 0.48117306435233004
Energy: 0.412339345573103
Energy: 0.43270093679663135
Energy: 0.4651136332649248
Energy: 0.43270093679633254
Energy: 0.46511363326109056
Energy: 0.43270093679742805
Energy: 0.4651136332591487
Energy: 0.40767099018352204
Energy: 0.44717941516062504
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Energy: 0.44717941516007725
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Energy: 0.5318764207102032
Energy: 0.48626356112278507
Energy: 0.5318764207096554
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Energy: 0.5318764207099044
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Energy: 0.46868471010940355
Energy: 0.43803978300277685
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Energy: 0.4271791869472727
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Energy: 0.4380397830077065
Energy: 0.4154474805099613
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Energy: 0.4154474805094135
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Energy: 0.46217056386809663
Energy: 0.4552760093957151
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Energy: 0.4506177796661444
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Energy: 0.45061777966694117
Energy: 0.40497290127861063
Energy: 0.45524978419850504
Energy: 0.4049729012794571
Energy: 0.4498064298482828
Energy: 0.4049729012794571
Energy: 0.4498064298482828
Energy: 0.4291572785888677
Energy: 0.4517241054487422
Energy: 0.42915727859075997
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Energy: 0.42915727858911673
Energy: 0.45172410544764674
Energy: 0.4422133151214702
Energy: 0.4593615205821711
Energy: 0.4422133151214702
Energy: 0.45936152058381424
Energy: 0.44221331512176903
Energy: 0.45936152058301755
Energy: 0.47228220802604687
Energy: 0.4248516939501737
Energy: 0.47228220800662707
Energy: 0.4248516939509705
Energy: 0.47228220800224524
Energy: 0.424851693949626
Energy: 0.45887078156753264
Energy: 0.41682263858967555
Energy: 0.45887078156205524
Energy: 0.4168226385885801
Energy: 0.45887078156230426
Energy: 0.41682263858967555
Energy: 0.4846133787901593
Energy: 0.4359350593525703
Energy: 0.4846133787918025
Energy: 0.4359350593517238
Energy: 0.48461337879045807
Energy: 0.43593505935202254
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Energy: 0.5543421318858553
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Energy: 0.5543421318858553
Energy: 0.4123104266296161
Energy: 0.5543421318855565
Energy: 0.47198496192172734
Energy: 0.5213077179152685
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Energy: 0.5213077179152685
Energy: 0.4719849619164989
Energy: 0.5213077179155174
Energy: 0.4046351764325522
Energy: 0.4305939265512514
Energy: 0.40463517643066005
Energy: 0.4501195227543263
Energy: 0.4046351764314567
Energy: 0.45011952275158756
Energy: 0.4521341528189124
Energy: 0.4853601337112726
Energy: 0.4521341528189124
Energy: 0.4853601337090817
Energy: 0.4521341528219498
Energy: 0.4853601337090817
Energy: 0.39656700629621205
Energy: 0.4813440428077661
Energy: 0.39656700629566427
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Energy: 0.39656700629566427
Energy: 0.48134404280940923
Energy: 0.5102093155925627
Energy: 0.4591008705532933
Energy: 0.5102093155917161
Energy: 0.4591008705529945
Energy: 0.510209315592015
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Energy: 0.43202944204248617
Energy: 0.44514839997532274
Energy: 0.4320294420416397
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Energy: 0.43202944204273513
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Energy: 0.4491038170676103
Energy: 0.5134944734391694
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Energy: 0.5134944734410616
Energy: 0.4491038170681581
Energy: 0.5134944734397171
Energy: 0.4094883970919099
Energy: 0.451080857702217
Energy: 0.4094883970924576
Energy: 0.4510808577027648
Energy: 0.40948839709051565
Energy: 0.451080857702217
Energy: 0.48081611648347855
Energy: 0.4825372942772134
Energy: 0.48081611648621725
Energy: 0.48253729427746245
Energy: 0.4808161164840263
Energy: 0.4825372942772134
Energy: 0.4468684091025921
Energy: 0.45675438022232684
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Energy: 0.4376379267767886
Energy: 0.44686840910179537
Energy: 0.43763792677788405
Energy: 0.48207933108097517
Energy: 0.4357761541215336
Energy: 0.4820793310815229
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Energy: 0.48207933108097517
Energy: 0.4357761541215336
Energy: 0.47975124266066904
Energy: 0.4071610905989162
Energy: 0.47975124265847807
Energy: 0.40716109059811945
Energy: 0.4797512426565859
Energy: 0.4071610905986672
Energy: 0.48082038711466657
Energy: 0.40549520035560926
Energy: 0.48082038711850067
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Energy: 0.40549520035645575
Energy: 0.44611520755265976
Energy: 0.4038985059950538
Energy: 0.4461152075521121
Energy: 0.4038985059950538
Energy: 0.4461152075529585
Energy: 0.4038985059950538
Energy: 0.45143439571311667
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Energy: 0.45143439571281785
Energy: 0.44739183439811236
Energy: 0.4514343957122702
Energy: 0.44739183439811236
Energy: 0.5008622592563946
Energy: 0.4503573430454604
Energy: 0.5008622592536559
Energy: 0.45035734304521147
Energy: 0.5008622592561456
Energy: 0.4503573430454604
Energy: 0.4477344420248381
Energy: 0.45443384061088793
Energy: 0.44773444202349366
Energy: 0.4544338405966467
Energy: 0.4477344420262324
Energy: 0.45443384061034015
Energy: 0.4484913707668617
Energy: 0.4483892535130293
Energy: 0.44849137076521844
Energy: 0.44838925351248154
Energy: 0.44849137076606505
Energy: 0.44838925351332803
Energy: 0.42226976193589283
Energy: 0.46018963593845896
Energy: 0.42226976193728705
Energy: 0.4601896359390067
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Energy: 0.46018963593930545
Energy: 0.5634012754059362
Energy: 0.41170038395347003
Energy: 0.5634012754067329
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Energy: 0.5634012754059362
Energy: 0.4117003839520758
Energy: 0.40176132503578293
Energy: 0.48535286227363783
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Energy: 0.4853528622730901
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Energy: 0.48535286227199465
Energy: 0.4507187375856206
Energy: 0.4486737071537907
Energy: 0.4507187375900024
Energy: 0.44867370715239646
Energy: 0.4507187375903012
Energy: 0.4486737071494088
Energy: 0.46172130916249704
Energy: 0.46745996390016975
Energy: 0.46172130916304477
Energy: 0.4674599639004188
Energy: 0.4617213091641402
Energy: 0.46745996390236066
Energy: 0.5245908395286303
Energy: 0.39490857180812533
Energy: 0.524590839531618
Energy: 0.3949085718070299
Energy: 0.5245908395288792
Energy: 0.39490857180678085
Energy: 0.4215036037869167
Energy: 0.5551750402269591
Energy: 0.4215036037888089
Energy: 0.555175040227208
Energy: 0.421503603786369
Energy: 0.555175040227208
Energy: 0.4529477162181376
Energy: 0.40414562322135517
Energy: 0.4529477162184363
Energy: 0.40414562322135517
Energy: 0.4529477162175898
Energy: 0.40414562322110625
Energy: 0.526750410771201
Energy: 0.41692309371653874
Energy: 0.5267504107717488
Energy: 0.41692309371678765
Energy: 0.5267504107706532
Energy: 0.41692309371653874
Energy: 0.4859343781119867
Energy: 0.40095516530504133
Energy: 0.48593437814893403
Energy: 0.40095516530778
Energy: 0.48593437815690116
Energy: 0.4009551653085768
Energy: 0.43638936933255396
Energy: 0.45506027040096836
Energy: 0.4363893693322552
Energy: 0.45506027040315933
Energy: 0.43638936933170747
Energy: 0.4550602704026116
Energy: 0.4286897465770034
Energy: 0.4228659011154445
Energy: 0.4286897465767046
Energy: 0.4228659011176354
Energy: 0.4286897465767046
Energy: 0.4228659011176354
Energy: 0.4617949505115834
Energy: 0.4663509986445515
Energy: 0.4617949505113345
Energy: 0.4663509986440038
Energy: 0.46179495051048797
Energy: 0.4663509986448502
Energy: 0.4539502835917221
Energy: 0.4546540793587702
Energy: 0.45395028358923245
Energy: 0.4546540793582225
Energy: 0.4539502835917221
Energy: 0.45465407935657925
Energy: 0.4245346082880936
Energy: 0.4578606331236177
Energy: 0.42453460828973677
Energy: 0.45786063312964276
Energy: 0.42453460828754586
Energy: 0.45786063312033126

minimum gb energy = 0.39490857180678085 eV
minimum distance =  2.61413569543783 Angstroms
sigma value = 81


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

Energy: 0.575564562027545
Energy: 0.4256053713245226
Energy: 0.575564562027545
Energy: 0.4256053713245226
Energy: 0.575564562027545
Energy: 0.4256053713245226
Energy: 0.4216199364883209
Energy: 0.45351575359766044
Energy: 0.421619936487945
Energy: 0.45351575359766044
Energy: 0.4216199364883209
Energy: 0.45351575359766044
Energy: 0.45007087443383065
Energy: 0.4584663795422
Energy: 0.4500708744330788
Energy: 0.4584663795425759
Energy: 0.45007087443345467
Energy: 0.45846637954144825
Energy: 0.40316557578422924
Energy: 0.41499799250213976
Energy: 0.40316557578422924
Energy: 0.4149979925017639
Energy: 0.40316557578422924
Energy: 0.4149979925025156
Energy: 0.4288477771503952
Energy: 0.4169691556250812
Energy: 0.4288477771515228
Energy: 0.41696915562545706
Energy: 0.4288477771515228
Energy: 0.41696915562545706
Energy: 0.398199849626212
Energy: 0.42116844879708587
Energy: 0.3981998496269638
Energy: 0.4211684487955823
Energy: 0.3981998496273397
Energy: 0.42116844879708587
Energy: 0.4308646769276842
Energy: 0.41977366597286164
Energy: 0.4308646769276842
Energy: 0.41977366597060634
Energy: 0.4308646769280601
Energy: 0.41977366597135807
Energy: 0.4313474525911967
Energy: 0.42104888885101754
Energy: 0.4313474525915726
Energy: 0.42104888885101754
Energy: 0.4313474525915726
Energy: 0.42104888885214525
Energy: 0.45697348339983024
Energy: 0.44267237958719924
Energy: 0.4569734833994544
Energy: 0.4426723795868234
Energy: 0.4569734833994544
Energy: 0.4426723795856957
Energy: 0.4497308536817707
Energy: 0.5287334803735936
Energy: 0.4497308536810189
Energy: 0.5287334803739695
Energy: 0.44973085368139476
Energy: 0.5287334803735936
Energy: 0.4699818494619057
Energy: 0.436577701181238
Energy: 0.4699818494619057
Energy: 0.436577701181238
Energy: 0.4699818494619057
Energy: 0.4365777011808621
Energy: 0.38011137458931094
Energy: 0.4158109384339671
Energy: 0.3801113745866797
Energy: 0.4158109384339671
Energy: 0.38011137458780736
Energy: 0.41581093843359124
Energy: 0.42488391976213913
Energy: 0.43053866265895574
Energy: 0.42488391976176326
Energy: 0.43053866265933155
Energy: 0.42488391976213913
Energy: 0.43053866265820395
Energy: 0.4477244413877097
Energy: 0.45766448503916113
Energy: 0.44772444138733386
Energy: 0.45766448503765766
Energy: 0.4477244413877097
Energy: 0.4576644850372818
Energy: 0.4734424921927126
Energy: 0.3907707033306126
Energy: 0.47344249219196083
Energy: 0.39077070332986086
Energy: 0.4734424921927126
Energy: 0.3907707033302367
Energy: 0.4313214898603619
Energy: 0.4155530794480899
Energy: 0.43132148985961005
Energy: 0.4155530794480899
Energy: 0.4313214898603619
Energy: 0.4155530794480899
Energy: 0.4904694042328447
Energy: 0.4331153804795781
Energy: 0.4904694042324687
Energy: 0.4331153804795781
Energy: 0.49046940423209295
Energy: 0.43311538048070575
Energy: 0.44898832631264407
Energy: 0.49003808993671555
Energy: 0.4489883263156511
Energy: 0.4900380899374673
Energy: 0.44898832631452346
Energy: 0.49003808993671555
Energy: 0.46301696419770844
Energy: 0.4688791569263926
Energy: 0.46301696419770844
Energy: 0.4688791569263926
Energy: 0.4630169641980844
Energy: 0.4688791569263926
Energy: 0.4149218159230537
Energy: 0.4911700813753449
Energy: 0.414921815922302
Energy: 0.49117008137496904
Energy: 0.414921815922302
Energy: 0.4911700813768484
Energy: 0.4145665428586988
Energy: 0.4306916111803079
Energy: 0.41456654285794703
Energy: 0.4306916111814355
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Energy: 0.4306916111810596
Energy: 0.4290334533047783
Energy: 0.4383523174867772
Energy: 0.4290334533036507
Energy: 0.4383523174860255
Energy: 0.4290334533040266
Energy: 0.4383523174864014
Energy: 0.440880460349181
Energy: 0.4542698337084626
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Energy: 0.4408804603499328
Energy: 0.4542698337084626
Energy: 0.42077718870530273
Energy: 0.42945704828176945
Energy: 0.42077718872484865
Energy: 0.4294570482821453
Energy: 0.4207771887049269
Energy: 0.4294570482821453
Energy: 0.44286148647648377
Energy: 0.4766524084489729
Energy: 0.44286148647610785
Energy: 0.476652408448597
Energy: 0.44286148647535617
Energy: 0.4766524084489729
Energy: 0.5380888997051725
Energy: 0.5278432909098268
Energy: 0.538088899703669
Energy: 0.5278432909098268
Energy: 0.5380888997051725
Energy: 0.5278432909098268
Energy: 0.43700214361156775
Energy: 0.40425477493885853
Energy: 0.43700214361081596
Energy: 0.40425477493885853
Energy: 0.43700214361119183
Energy: 0.40425477493697914
Energy: 0.404684845996942
Energy: 0.4132641941661593
Energy: 0.4046848459976937
Energy: 0.4132641941661593
Energy: 0.4046848459976937
Energy: 0.41326419416653515
Energy: 0.43110350953128873
Energy: 0.42237128197365
Energy: 0.431103509530537
Energy: 0.42237128197365
Energy: 0.43110350953128873
Energy: 0.42237128197289825
Energy: 0.46082820952287445
Energy: 0.39191898060737573
Energy: 0.46082820952287445
Energy: 0.39191898060775165
Energy: 0.46082820952287445
Energy: 0.39191898060775165
Energy: 0.41599971419082993
Energy: 0.4705589808015257
Energy: 0.41599971419082993
Energy: 0.47055898079927044
Energy: 0.4159997141912058
Energy: 0.470558980800774
Energy: 0.41707150440350105
Energy: 0.42942522863890314
Energy: 0.4170715044031251
Energy: 0.42942522863927896
Energy: 0.4170715044031251
Energy: 0.4294252286385272
Energy: 0.3800381547400721
Energy: 0.44815925639210813
Energy: 0.38003815473932034
Energy: 0.4481592563616617
Energy: 0.3800381547396962
Energy: 0.44815925625945613
Energy: 0.38038060309344346
Energy: 0.4141456866911188
Energy: 0.38038060309306765
Energy: 0.4141456866914947
Energy: 0.3803806030926917
Energy: 0.4141456866911188
Energy: 0.4443267324056183
Energy: 0.5912562842880873
Energy: 0.44432673240486653
Energy: 0.5912562842880873
Energy: 0.4443267324052424
Energy: 0.5912562842880873
Energy: 0.44355404847744817
Energy: 0.41738300414885804
Energy: 0.44355404847782404
Energy: 0.4173830041492339
Energy: 0.44355404847782404
Energy: 0.41738300414960977
Energy: 0.4308733513449641
Energy: 0.4002103158999876
Energy: 0.4308733513464676
Energy: 0.4002103159014911
Energy: 0.4308733513460917
Energy: 0.4002103159022429
Energy: 0.43729047736545146
Energy: 0.4223994345923917
Energy: 0.437290477363572
Energy: 0.4223994345923917
Energy: 0.4372904773620685
Energy: 0.4223994345920158

minimum gb energy = 0.38003815473932034 eV
minimum distance =  2.637290941372 Angstroms
sigma value = 43


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

Energy: 0.5122676787084722
Energy: 0.40685401145545147
Energy: 0.5122676787084722
Energy: 0.40685401145545147
Energy: 0.512267678708934
Energy: 0.40685401145545147
Energy: 0.47357619877678075
Energy: 0.3802546208718905
Energy: 0.47357619877724244
Energy: 0.3802546208718905
Energy: 0.47357619877724244
Energy: 0.3802546208718905
Energy: 0.4377650485355632
Energy: 0.4821148044019751
Energy: 0.4377650485355632
Energy: 0.4821148044024368
Energy: 0.456219165471251
Energy: 0.4821148044024368
Energy: 0.451015673679202
Energy: 0.3971332536485521
Energy: 0.451015673679202
Energy: 0.39713325364762875
Energy: 0.451015673679202
Energy: 0.39713325364762875
Energy: 0.42500638519086426
Energy: 0.41145619109067116
Energy: 0.42500638519086426
Energy: 0.4114561910902094
Energy: 0.42500638519086426
Energy: 0.41145619108974774
Energy: 0.43963724574913393
Energy: 0.41717607513600846
Energy: 0.4396372457486723
Energy: 0.41717607515032123
Energy: 0.43963724574913393
Energy: 0.41717607513508503
Energy: 0.42259661887408084
Energy: 0.4712331380967199
Energy: 0.42259661887454253
Energy: 0.4712331380962583
Energy: 0.42259661887454253
Energy: 0.4712331380962583
Energy: 0.46965126212905933
Energy: 0.4361913777038348
Energy: 0.4696512621285977
Energy: 0.4361913777038348
Energy: 0.46965126212905933
Energy: 0.4361913777038348
Energy: 0.45661049162565287
Energy: 0.42486153485850436
Energy: 0.45661049162565287
Energy: 0.42486153485850436
Energy: 0.45661049162565287
Energy: 0.4248615348589661
Energy: 0.4034510410702257
Energy: 0.47855504834798207
Energy: 0.4034510410702257
Energy: 0.4785550483484438
Energy: 0.4034510410706874
Energy: 0.47855504834798207
Energy: 0.47565249122863873
Energy: 0.4188556680785516
Energy: 0.4756524912291004
Energy: 0.4188556680785516
Energy: 0.4756524912291004
Energy: 0.4188556680785516
Energy: 0.4696951670885041
Energy: 0.4297111964829361
Energy: 0.4696951670885041
Energy: 0.4297111964829361
Energy: 0.46969516708896575
Energy: 0.429711196484783
Energy: 0.4384250803942414
Energy: 0.41776577998928227
Energy: 0.43842508039285627
Energy: 0.41776577999159087
Energy: 0.4384250803910094
Energy: 0.41776577999020575
Energy: 0.3771501683421085
Energy: 0.48353428263004666
Energy: 0.3771501683421085
Energy: 0.48353428263004666
Energy: 0.3771501683425702
Energy: 0.48353428262958487
Energy: 0.4312140970388191
Energy: 0.4516735553643624
Energy: 0.4312140970378957
Energy: 0.4516735553643624
Energy: 0.43121409703835745
Energy: 0.4516735553643624
Energy: 0.4676463297389917
Energy: 0.44606762493074664
Energy: 0.46764632973806824
Energy: 0.44606762493120844
Energy: 0.46764632973852993
Energy: 0.44606762493074664
Energy: 0.4380248123492341
Energy: 0.3802299320800243
Energy: 0.4380248123492341
Energy: 0.3802299320800243
Energy: 0.4380248123492341
Energy: 0.3802299320800243
Energy: 0.489692306803476
Energy: 0.4020082947805383
Energy: 0.489692306803476
Energy: 0.4020082947768447
Energy: 0.48969230680301423
Energy: 0.4020082947782298
Energy: 0.4886831844642619
Energy: 0.412634744751895
Energy: 0.4886831844642619
Energy: 0.4126347447532801
Energy: 0.48868318446380016
Energy: 0.4126347447523567
Energy: 0.4380064568360994
Energy: 0.4368813300376633
Energy: 0.4380064568360994
Energy: 0.4368813300376633
Energy: 0.4380064568360994
Energy: 0.43688133003720164
Energy: 0.46813133506264987
Energy: 0.41409617609043375
Energy: 0.46813133506264987
Energy: 0.41409617609181887
Energy: 0.46813133506264987
Energy: 0.41409617609181887
Energy: 0.46511902482078393
Energy: 0.43688001151212863
Energy: 0.46511902482078393
Energy: 0.43688001151212863
Energy: 0.46511902482078393
Energy: 0.43688001151212863
Energy: 0.37726447775766686
Energy: 0.44200837707920076
Energy: 0.37726447775859034
Energy: 0.44200837707920076
Energy: 0.37726447775766686
Energy: 0.4420083770796624
Energy: 0.4389988371895847
Energy: 0.48216650169661385
Energy: 0.4389988371895847
Energy: 0.48216650169661385
Energy: 0.4389988371891231
Energy: 0.48216650169661385
Energy: 0.39233252680566255
Energy: 0.4170567544807515
Energy: 0.39233252680427744
Energy: 0.4170567544807515
Energy: 0.3923325268047392
Energy: 0.4170567544802899
Energy: 0.46443653317911454
Energy: 0.47123904314962956
Energy: 0.46443653318049966
Energy: 0.47123904315009124
Energy: 0.46443653317819117
Energy: 0.47123904314962956
Energy: 0.41979464859139354
Energy: 0.4343861924705967
Energy: 0.4197946485909319
Energy: 0.4343861924719818
Energy: 0.4197946485909319
Energy: 0.4343861924696942
Energy: 0.4573964557138387
Energy: 0.4273650931164915
Energy: 0.4573964557138387
Energy: 0.4273650931169532
Energy: 0.4573964557138387
Energy: 0.4273650931164915
Energy: 0.3922259254198077
Energy: 0.4363474286186567
Energy: 0.3922259254198077
Energy: 0.43634742861911835
Energy: 0.3922259254198077
Energy: 0.43634742861911835
Energy: 0.4667970024791615
Energy: 0.48414077098953395
Energy: 0.4667970024791615
Energy: 0.48414077098953395
Energy: 0.4667970024786999
Energy: 0.4841407709918425
Energy: 0.44003240807156574
Energy: 0.41787118028313625
Energy: 0.44003240807156574
Energy: 0.4178711802835979
Energy: 0.44003240807110405
Energy: 0.41787118028221276

minimum gb energy = 0.3771501683421085 eV
minimum distance =  2.66810822069345 Angstroms
sigma value = 57


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

Energy: 0.4272368859673994
Energy: 0.3717397179594975
Energy: 0.4272368859673994
Energy: 0.3717397179594975
Energy: 0.4272368859673994
Energy: 0.3717397179594975
Energy: 0.3951719873346257
Energy: 0.3435652792859838
Energy: 0.3951719873352236
Energy: 0.3435652792859838
Energy: 0.3951719873352236
Energy: 0.3435652792865816
Energy: 0.45010033382186126
Energy: 0.450100297973372
Energy: 0.4501003338212634
Energy: 0.4501002979727742
Energy: 0.4501003338212634
Energy: 0.450100297973372
Energy: 0.3770626957457852
Energy: 0.40412244855083734
Energy: 0.3770626957445896
Energy: 0.40412244855023954
Energy: 0.37706269574399176
Energy: 0.40412244855083734
Energy: 0.44829044631174975
Energy: 0.44525029064994276
Energy: 0.44829044631354314
Energy: 0.44525029064874716
Energy: 0.448290446314141
Energy: 0.44525029064994276
Energy: 0.4516652188711287
Energy: 0.343479944735172
Energy: 0.4516652188711287
Energy: 0.343479944735172
Energy: 0.4516652188711287
Energy: 0.34347994473457416
Energy: 0.4209403331066569
Energy: 0.5086617243123908
Energy: 0.42094033310785256
Energy: 0.5086617243123908
Energy: 0.4209403331072547
Energy: 0.5086617243123908
Energy: 0.4272891531958214
Energy: 0.3738819440324005
Energy: 0.4272891531946258
Energy: 0.3738819440329983
Energy: 0.4272891531964192
Energy: 0.3738819440329983
Energy: 0.4191610415719356
Energy: 0.3963189067660385
Energy: 0.4191610415713378
Energy: 0.3963189067660385
Energy: 0.4191610415713378
Energy: 0.3963189067660385
Energy: 0.356273305818935
Energy: 0.3965378507262654
Energy: 0.356273305818935
Energy: 0.3965378507262654
Energy: 0.356273305818935
Energy: 0.3965378507262654
Energy: 0.421377904629935
Energy: 0.5306569982265307
Energy: 0.4213779046293373
Energy: 0.5306569982265307
Energy: 0.421377904629935
Energy: 0.5306569982271284
Energy: 0.44910258854255986
Energy: 0.43441783298162695
Energy: 0.4491025885431577
Energy: 0.43441783298162695
Energy: 0.44910258854255986
Energy: 0.4344178329828226
Energy: 0.4151216104470538
Energy: 0.39640252452787916
Energy: 0.4151216104470538
Energy: 0.39640252452728136
Energy: 0.4151216104470538
Energy: 0.39640252452728136
Energy: 0.48820079660688653
Energy: 0.3489194074810647
Energy: 0.48820079660569093
Energy: 0.34891940748046696
Energy: 0.48820079660688653
Energy: 0.3489194074810647
Energy: 0.42028202499497186
Energy: 0.3718954938574217
Energy: 0.42028202499497186
Energy: 0.37189549385682397
Energy: 0.42028202499616746
Energy: 0.3718954938562261
Energy: 0.4201974757868195
Energy: 0.39363866710536366
Energy: 0.42019747579160194
Energy: 0.3936386671041679
Energy: 0.42019747579937344
Energy: 0.39363866710536366
Energy: 0.35328826040731537
Energy: 0.39532011798586403
Energy: 0.3532882604079132
Energy: 0.39532011798586403
Energy: 0.35328826040611977
Energy: 0.39532011798586403
Energy: 0.4196333140311625
Energy: 0.35386788311342215
Energy: 0.4196333140311625
Energy: 0.35386788311342215
Energy: 0.41963331403056464
Energy: 0.3538678831128244
Energy: 0.35319583013753664
Energy: 0.39548287553510664
Energy: 0.3531958301381345
Energy: 0.39548287553570444
Energy: 0.3531958301387323
Energy: 0.39548287553570444
Energy: 0.42022234019865407
Energy: 0.39359893399325047
Energy: 0.4202223401962628
Energy: 0.39359893399444607
Energy: 0.42022234019805627
Energy: 0.3935989339938483
Energy: 0.4190947950931038
Energy: 0.37194838206160913
Energy: 0.4190947950948973
Energy: 0.37194838206220693
Energy: 0.4190947951014731
Energy: 0.37194838206160913
Energy: 0.4885335538542575
Energy: 0.5386050387469804
Energy: 0.4885335538542575
Energy: 0.538605038745187
Energy: 0.48853355385365965
Energy: 0.538605038745187
Energy: 0.4151264392523933
Energy: 0.39634546334929666
Energy: 0.4151264392523933
Energy: 0.39634546334929666
Energy: 0.4151264392523933
Energy: 0.39634546334989446
Energy: 0.44922285651355315
Energy: 0.4344230845146219
Energy: 0.449222856514151
Energy: 0.4344230845146219
Energy: 0.4492228565129554
Energy: 0.43442308451581757

minimum gb energy = 0.34347994473457416 eV
minimum distance =  2.63612169750194 Angstroms
sigma value = 17


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

Energy: 0.41921096765638255
Energy: 0.36472180616129085
Energy: 0.41921096765638255
Energy: 0.36472180616129085
Energy: 0.41921096765638255
Energy: 0.36472180616129085
Energy: 0.3711206264865094
Energy: 0.42655285964934875
Energy: 0.3711206264865094
Energy: 0.4265528596485033
Energy: 0.3711206264873549
Energy: 0.42655285964934875
Energy: 0.4131097433869689
Energy: 0.40435913339101814
Energy: 0.4131097433869689
Energy: 0.40435913339017276
Energy: 0.4131097433869689
Energy: 0.40435913339017276
Energy: 0.3808588289189519
Energy: 0.49851389799731555
Energy: 0.3808588289189519
Energy: 0.49851389799731555
Energy: 0.3808588289189519
Energy: 0.49851389799731555
Energy: 0.4253077242913437
Energy: 0.3800073447347465
Energy: 0.42530772429049823
Energy: 0.3800073447347465
Energy: 0.42530772429049823
Energy: 0.3800073447347465
Energy: 0.45388275060702726
Energy: 0.40615788906578415
Energy: 0.45388275060702726
Energy: 0.40615788906578415
Energy: 0.45388275060702726
Energy: 0.40615788906578415
Energy: 0.40975970451694893
Energy: 0.4397637611404024
Energy: 0.40975970451694893
Energy: 0.4397637611404024
Energy: 0.40975970451694893
Energy: 0.4397637611404024
Energy: 0.38087188166044506
Energy: 0.42341753165975693
Energy: 0.38087188166044506
Energy: 0.4234175316589115
Energy: 0.38087188166044506
Energy: 0.42341753165130264
Energy: 0.3941290594293296
Energy: 0.42608999533670555
Energy: 0.39412905943017496
Energy: 0.42608999533586006
Energy: 0.3941290594293296
Energy: 0.42608999533586006
Energy: 0.4583928972421285
Energy: 0.43357919250853055
Energy: 0.4583928972421285
Energy: 0.43357919250853055
Energy: 0.4583928972421285
Energy: 0.43357919250937604
Energy: 0.45000824232597286
Energy: 0.38301553052900633
Energy: 0.4500082423268183
Energy: 0.3830155305298517
Energy: 0.45000824232597286
Energy: 0.38301553052900633
Energy: 0.40689643574806056
Energy: 0.39461348393435836
Energy: 0.40689643574806056
Energy: 0.39461348393435836
Energy: 0.40689643574806056
Energy: 0.39461348393435836
Energy: 0.4097882786983931
Energy: 0.4044916543878585
Energy: 0.4097882786983931
Energy: 0.40449165438870394
Energy: 0.4097882786983931
Energy: 0.4044916543895493
Energy: 0.3724706699216354
Energy: 0.39989552806495265
Energy: 0.37247066992079
Energy: 0.39989552806495265
Energy: 0.37247066992079
Energy: 0.39989552806495265
Energy: 0.3693276301711565
Energy: 0.40865228573147355
Energy: 0.36932763017538367
Energy: 0.408652285732319
Energy: 0.3693276301728473
Energy: 0.40865228573147355
Energy: 0.4533220622570135
Energy: 0.5359629762175656
Energy: 0.4533220622578589
Energy: 0.5359629762175656
Energy: 0.4533220622570135
Energy: 0.5359629762184112
Energy: 0.3714959977745758
Energy: 0.3985743422720232
Energy: 0.3714959977745758
Energy: 0.3985743422711778
Energy: 0.3714959977745758
Energy: 0.3985743422711778

minimum gb energy = 0.36472180616129085 eV
minimum distance =  2.66944499576864 Angstroms
sigma value = 17


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

Energy: 0.3926301804667215
Energy: 0.35004646749379503
Energy: 0.3926301804667215
Energy: 0.35004646749379503
Energy: 0.3926301804683539
Energy: 0.3500464674941215
Energy: 0.36583577379760013
Energy: 0.37373810389244205
Energy: 0.36583577379694715
Energy: 0.3737381038914626
Energy: 0.365835773798253
Energy: 0.3737381038921156
Energy: 0.39716837696896495
Energy: 0.3716460169765303
Energy: 0.3971683769686385
Energy: 0.3716460169771832
Energy: 0.39716837696896495
Energy: 0.37164601697620386
Energy: 0.3672821619770134
Energy: 0.36110775461881794
Energy: 0.36728216197603397
Energy: 0.36110775461947087
Energy: 0.36728216197799285
Energy: 0.3611077546197974
Energy: 0.38289974922578796
Energy: 0.3918759887836134
Energy: 0.3824927741951704
Energy: 0.3918759887836134
Energy: 0.3824517405505864
Energy: 0.3918759887836134
Energy: 0.36519304160926497
Energy: 0.34982800072696446
Energy: 0.3651930416089385
Energy: 0.34982800072827036
Energy: 0.3651930416095915
Energy: 0.34982800072827036
Energy: 0.35348164574858204
Energy: 0.40948025543317296
Energy: 0.3534816457511938
Energy: 0.40948025543317296
Energy: 0.3534816457482556
Energy: 0.40948025543317296
Energy: 0.3987653391858693
Energy: 0.4183976475803548
Energy: 0.3987653391848899
Energy: 0.418397647577743
Energy: 0.39876533918521634
Energy: 0.4183976475797018
Energy: 0.4376347337687024
Energy: 0.36739612131285193
Energy: 0.43763473376902884
Energy: 0.36739612131219895
Energy: 0.43763473376902884
Energy: 0.3673961213144843
Energy: 0.3535705345896426
Energy: 0.37300396719923695
Energy: 0.35357053458703086
Energy: 0.37300396719923695
Energy: 0.35357053458376614
Energy: 0.37300396719923695
Energy: 0.32004397541096685
Energy: 0.3388399864136615
Energy: 0.3200439754125992
Energy: 0.33771047232813045
Energy: 0.3200439754106404
Energy: 0.33789570284427234
Energy: 0.396942872714853
Energy: 0.39674670428405406
Energy: 0.39694287271354706
Energy: 0.39674670428470704
Energy: 0.3969428727151795
Energy: 0.3967467042837276
Energy: 0.4187429582518288
Energy: 0.39752107215988947
Energy: 0.4187429582515023
Energy: 0.39752107216054244
Energy: 0.4187429582515023
Energy: 0.39752107215988947
Energy: 0.41038932540990364
Energy: 0.35198226054431614
Energy: 0.4103893254085978
Energy: 0.35198226054301024
Energy: 0.41038932540925066
Energy: 0.3519822605449691
Energy: 0.38829678627265746
Energy: 0.3816402378326249
Energy: 0.388296786271678
Energy: 0.38164023783360435
Energy: 0.3882967862693927
Energy: 0.3816402378329514
Energy: 0.38242385963238495
Energy: 0.3855215909614644
Energy: 0.38242385963238495
Energy: 0.3855215910394321
Energy: 0.3824238596320585
Energy: 0.38963997398453726
Energy: 0.35011305420187844
Energy: 0.3626888028193398
Energy: 0.3501130542031843
Energy: 0.3626888028193398
Energy: 0.35011305420122546
Energy: 0.3626888028193398
Energy: 0.42277725707829766
Energy: 0.3810069902042576
Energy: 0.42277725707797115
Energy: 0.3810069902039312
Energy: 0.42277725707895053
Energy: 0.3810069902039312
Energy: 0.41057816417184917
Energy: 0.3638290347837513
Energy: 0.41057816417119625
Energy: 0.3638290347827719
Energy: 0.4105781641715227
Energy: 0.363829034781466
Energy: 0.34955845591139556
Energy: 0.3832964728291722
Energy: 0.3495584559107722
Energy: 0.3832964728291722
Energy: 0.3495584559107722
Energy: 0.39127153220486216
Energy: 0.4106712897541828
Energy: 0.36398291339788225
Energy: 0.4106712897538563
Energy: 0.36398291339527045
Energy: 0.4106712897541828
Energy: 0.3639829133959234
Energy: 0.4227965487630574
Energy: 0.38082397406037843
Energy: 0.4227965487624044
Energy: 0.38082397406168433
Energy: 0.4227965487627309
Energy: 0.38082397406103136
Energy: 0.35003928840087933
Energy: 0.36256165983479965
Energy: 0.35003928839989995
Energy: 0.36256165983479965
Energy: 0.3500392884005529
Energy: 0.36256165983479965
Energy: 0.3823240490212841
Energy: 0.4023925200242784
Energy: 0.3823240490203047
Energy: 0.4023925200239519
Energy: 0.38232404902226347
Energy: 0.4023925200229725
Energy: 0.38845372183889376
Energy: 0.38157313650363595
Energy: 0.38845372183595545
Energy: 0.38157313650298297
Energy: 0.38845372183954674
Energy: 0.38157313650298297
Energy: 0.4105723663051599
Energy: 0.35147899504606755
Energy: 0.4105723663035276
Energy: 0.3514789950454146
Energy: 0.41057236630418054
Energy: 0.3514789950447616
Energy: 0.41868262815579455
Energy: 0.41582985850758164
Energy: 0.41868262815451834
Energy: 0.41582985850758164
Energy: 0.4186826281551713
Energy: 0.4158298585072552
Energy: 0.39690583605929153
Energy: 0.39602714051723575
Energy: 0.3969058360583121
Energy: 0.3960271405182152
Energy: 0.3969058360599445
Energy: 0.3960271405182152
Energy: 0.3197895841885666
Energy: 0.33931375270474967
Energy: 0.31978958419702525
Energy: 0.33779763458530737
Energy: 0.3197895841918314
Energy: 0.3384176134764938
Energy: 0.35355659878718126
Energy: 0.3729751779396749
Energy: 0.3535565987881607
Energy: 0.3729751779396749
Energy: 0.3535565987878342
Energy: 0.3729751779396749
Energy: 0.437750146561446
Energy: 0.3673292795762316
Energy: 0.437750146561446
Energy: 0.36732927957427275
Energy: 0.4377501465611195
Energy: 0.3673292795752522
Energy: 0.3988347737183234
Energy: 0.41856915644254583
Energy: 0.3988347737183234
Energy: 0.41856915644417814
Energy: 0.39883477371864984
Energy: 0.41856915644679
Energy: 0.35289869022091697
Energy: 0.40931742301224994
Energy: 0.3528986902186317
Energy: 0.4093174230125764
Energy: 0.3528986902205905
Energy: 0.40931742301224994
Energy: 0.3652647754380371
Energy: 0.33612581665768393
Energy: 0.36526477543836355
Energy: 0.33612581665898983
Energy: 0.3652647754370577
Energy: 0.3361258166583369
Energy: 0.38259741515246926
Energy: 0.3919596322101
Energy: 0.38268952507485127
Energy: 0.39195963220912056
Energy: 0.38268481245394176
Energy: 0.3919596322107529
Energy: 0.36732839479803303
Energy: 0.4388100680717219
Energy: 0.3673283947964007
Energy: 0.43881006807139544
Energy: 0.36732839479738016
Energy: 0.438810068071069
Energy: 0.39704607004236486
Energy: 0.3716104677651552
Energy: 0.39704607004203835
Energy: 0.37161046776613466
Energy: 0.39704607004203835
Energy: 0.3716104677654817
Energy: 0.36588808497067277
Energy: 0.3735351854881648
Energy: 0.36588808495989916
Energy: 0.3735351854852265
Energy: 0.36588808494977854
Energy: 0.3735351854852265
Energy: 0.3926301804660685
Energy: 0.35004646749640683
Energy: 0.39263018046574205
Energy: 0.35004646749771273
Energy: 0.3926301804660685
Energy: 0.3500464674973862
Energy: 0.365835773798253
Energy: 0.3925760757940744
Energy: 0.3658357737972736
Energy: 0.39257607579472736
Energy: 0.36583577379923243
Energy: 0.3925760757950538
Energy: 0.397168376968312
Energy: 0.3716460169856715
Energy: 0.397168376968312
Energy: 0.3716460169837127
Energy: 0.3971683769686385
Energy: 0.37164601698142735
Energy: 0.36728216197603397
Energy: 0.36110775462012384
Energy: 0.36728216197603397
Energy: 0.3611077546211033
Energy: 0.3672821619740751
Energy: 0.3611077546191444
Energy: 0.3828581448780059
Energy: 0.39187598878491925
Energy: 0.382823882861914
Energy: 0.3918759887852457
Energy: 0.3825339877962254
Energy: 0.39187598878491925

minimum gb energy = 0.3197895841885666 eV
minimum distance =  2.64854171926683 Angstroms
sigma value = 57


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

Energy: 0.3691336299986755
Energy: 0.3319752537029292
Energy: 0.3691336299965492
Energy: 0.33197525370447556
Energy: 0.3691336299986755
Energy: 0.331975253703944
Energy: 0.3427874996088542
Energy: 0.37011831064476275
Energy: 0.34278749960088056
Energy: 0.3701183106452944
Energy: 0.34278749959875426
Energy: 0.3701183106452944
Energy: 0.3864643288580126
Energy: 0.3535913642967143
Energy: 0.3864643288580126
Energy: 0.35359136429618265
Energy: 0.3864643288580126
Energy: 0.35359136429618265
Energy: 0.35255315900690243
Energy: 0.37223048451013524
Energy: 0.35255315900796563
Energy: 0.3722304845096036
Energy: 0.35255315900690243
Energy: 0.37223048451013524
Energy: 0.43265224367985655
Energy: 0.34496694911726355
Energy: 0.4326522436825145
Energy: 0.34496694911726355
Energy: 0.43265224368198285
Energy: 0.34496694911726355
Energy: 0.3561954019760292
Energy: 0.3229584294903044
Energy: 0.3561954019760292
Energy: 0.3229584294876465
Energy: 0.3561954019765608
Energy: 0.3229584294903044
Energy: 0.3560613879773079
Energy: 0.39029606026539726
Energy: 0.3560613879767763
Energy: 0.39029606026486563
Energy: 0.3560613879767763
Energy: 0.39029606026539726
Energy: 0.38724420181962826
Energy: 0.3840695837578895
Energy: 0.38724420181648717
Energy: 0.3840695837578895
Energy: 0.38724420182069136
Energy: 0.38406958375682637
Energy: 0.3747614558456426
Energy: 0.3243602445559845
Energy: 0.3747614558456426
Energy: 0.3243602445591739
Energy: 0.3747614558456426
Energy: 0.3243602445878791
Energy: 0.33366809032187456
Energy: 0.3791132718015873
Energy: 0.3336680903202798
Energy: 0.37911327180211885
Energy: 0.3336680903224061
Energy: 0.37911327180211885
Energy: 0.3559493519180538
Energy: 0.4492431307301695
Energy: 0.3559493519169906
Energy: 0.4492431307301695
Energy: 0.35594935191752225
Energy: 0.4492431307307011
Energy: 0.3438965889223766
Energy: 0.356538214765911
Energy: 0.3438965889229082
Energy: 0.35653821476697417
Energy: 0.34389658892184505
Energy: 0.35653821476697417
Energy: 0.3322914533862417
Energy: 0.3828983471135454
Energy: 0.33229145338517857
Energy: 0.3828983471135454
Energy: 0.332291453384647
Energy: 0.38289834711301385
Energy: 0.3545381363561619
Energy: 0.3434209956440655
Energy: 0.35453813635456716
Energy: 0.34342099564831813
Energy: 0.35453813635456716
Energy: 0.3434209956440655
Energy: 0.38155049984663497
Energy: 0.3919208148819706
Energy: 0.38155049984663497
Energy: 0.39192081488569164
Energy: 0.38155049984716666
Energy: 0.3919208148793127
Energy: 0.37713623798493545
Energy: 0.38037320518543316
Energy: 0.3771362379854671
Energy: 0.38037320518436996
Energy: 0.3771362379854671
Energy: 0.38037320518330675
Energy: 0.3869134930880986
Energy: 0.39751031799023157
Energy: 0.3869134930870354
Energy: 0.39751031798863684
Energy: 0.3869134930891617
Energy: 0.39751031798916847
Energy: 0.3692799027752063
Energy: 0.36494110332533813
Energy: 0.3692799027778641
Energy: 0.3649411033258697
Energy: 0.3692799027778641
Energy: 0.364941103324275
Energy: 0.36292121360851565
Energy: 0.3588567432283988
Energy: 0.3629212136090473
Energy: 0.35885674322786715
Energy: 0.3629212136074525
Energy: 0.35885674322520933
Energy: 0.36392805090334956
Energy: 0.363423608978588
Energy: 0.3639280509081338
Energy: 0.3634236089791195
Energy: 0.3639280509102601
Energy: 0.3634236089791195
Energy: 0.39816459075670774
Energy: 0.35999928480392246
Energy: 0.3981645907572393
Energy: 0.35999928480232773
Energy: 0.39816459075936556
Energy: 0.359999284804454
Energy: 0.35545640656188304
Energy: 0.3603326735462244
Energy: 0.35545640656135147
Energy: 0.360332673546756
Energy: 0.35545640656135147
Energy: 0.36033267354941384
Energy: 0.3347769075663359
Energy: 0.34054530943179107
Energy: 0.3347769075668675
Energy: 0.34054530943179107
Energy: 0.33477690756580436
Energy: 0.34054530943179107
Energy: 0.39359907933099064
Energy: 0.46847802614390227
Energy: 0.39359907933099064
Energy: 0.46847802614390227
Energy: 0.39359907933205385
Energy: 0.4684780261428392
Energy: 0.3856129084478461
Energy: 0.4593231611195111
Energy: 0.38561290844837776
Energy: 0.45932316111897953
Energy: 0.38561290844678303
Energy: 0.45932316112057425
Energy: 0.33186282453910465
Energy: 0.340968936503946
Energy: 0.33186282453697835
Energy: 0.340968936503946
Energy: 0.33186282453697835
Energy: 0.340968936503946
Energy: 0.36298654099020966
Energy: 0.3596709582830293
Energy: 0.3629865409907412
Energy: 0.3596709582819661
Energy: 0.3629865409907412
Energy: 0.3596709582819661

minimum gb energy = 0.3229584294876465 eV
minimum distance =  2.64245641682461 Angstroms
sigma value = 43


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

Energy: 0.4295177374316116
Energy: 0.31125746324040426
Energy: 0.4295177374316116
Energy: 0.31125746324079157
Energy: 0.42951773743277355
Energy: 0.31125746324040426
Energy: 0.3507474040585742
Energy: 0.33915748569159226
Energy: 0.3507474040585742
Energy: 0.3391574856919796
Energy: 0.35074740405818683
Energy: 0.3391574856919796
Energy: 0.35114720423234935
Energy: 0.3498320648183955
Energy: 0.35114720423351126
Energy: 0.3498320648183955
Energy: 0.35114720423273665
Energy: 0.3498320648183955
Energy: 0.40930678808110904
Energy: 0.3326543202414705
Energy: 0.4093067880803344
Energy: 0.3326543202414705
Energy: 0.4093067880814963
Energy: 0.3326543202414705
Energy: 0.41429962916507435
Energy: 0.3295934828711345
Energy: 0.414299629164687
Energy: 0.3295934828707472
Energy: 0.414299629164687
Energy: 0.3295934828711345
Energy: 0.3237355554466226
Energy: 0.2986217852947774
Energy: 0.32373555544697463
Energy: 0.2986217852951647
Energy: 0.3237355554466226
Energy: 0.2986217852943901
Energy: 0.3383886714911081
Energy: 0.3501165342934528
Energy: 0.3383886715298389
Energy: 0.3501165342934528
Energy: 0.3383886715151212
Energy: 0.3501165342926782
Energy: 0.4290834312042719
Energy: 0.32926248825436966
Energy: 0.4290834312038846
Energy: 0.32926248825475696
Energy: 0.4290834312042719
Energy: 0.32926248825436966
Energy: 0.3074655452790151
Energy: 0.29758411469533247
Energy: 0.3074655452790151
Energy: 0.29758411469533247
Energy: 0.30746554527940245
Energy: 0.29758411469571977
Energy: 0.3053142714852717
Energy: 0.3307695402490441
Energy: 0.3053142714821732
Energy: 0.3307695402478821
Energy: 0.3053142714802367
Energy: 0.3307695402478821
Energy: 0.39281709270157233
Energy: 0.3638868648254696
Energy: 0.39281709269847387
Energy: 0.3638868648262442
Energy: 0.39281709270041043
Energy: 0.3638868648262442
Energy: 0.3340274521290555
Energy: 0.29842696619165593
Energy: 0.33402745212983015
Energy: 0.29842696618933207
Energy: 0.3340274521290555
Energy: 0.2984269661928178
Energy: 0.30475310846041115
Energy: 0.32332993436686636
Energy: 0.3047531084704812
Energy: 0.32332993436686636
Energy: 0.3047531084635096
Energy: 0.3233299343672536
Energy: 0.39433450286358807
Energy: 0.3672198769053069
Energy: 0.39433450286397537
Energy: 0.3672198769068561
Energy: 0.39433450286358807
Energy: 0.36721987690608154
Energy: 0.33097432424721057
Energy: 0.29702468413354616
Energy: 0.3309743242475978
Energy: 0.2970246841347081
Energy: 0.3309743242479852
Energy: 0.2970246841354828
Energy: 0.3103588792233092
Energy: 0.3230561754986018
Energy: 0.3103588792233092
Energy: 0.3230561754982145
Energy: 0.31035887922176
Energy: 0.3230561754986018
Energy: 0.31763924690333456
Energy: 0.36751402287696705
Energy: 0.3176392469029473
Energy: 0.36751402287696705
Energy: 0.31763924690062345
Energy: 0.36751402287657975
Energy: 0.3146197224726325
Energy: 0.32931161405640585
Energy: 0.3146197224726325
Energy: 0.32931161403471654
Energy: 0.3146197224718578
Energy: 0.3293116140699265
Energy: 0.3203978385381863
Energy: 0.34634970639377755
Energy: 0.3203978385385737
Energy: 0.34634970639377755
Energy: 0.3203978385381863
Energy: 0.34634970639377755
Energy: 0.3434968994804512
Energy: 0.4040177456993302
Energy: 0.3434968994804512
Energy: 0.4040177456981683
Energy: 0.3434968994804512
Energy: 0.40401774569894294
Energy: 0.3429470539789296
Energy: 0.39551959932771685
Energy: 0.3429470539789296
Energy: 0.3955195993269422
Energy: 0.3429470539789296
Energy: 0.39551959932771685
Energy: 0.3543907165738041
Energy: 0.35383539265092107
Energy: 0.3543907165726422
Energy: 0.35383539265130837
Energy: 0.3543907165726422
Energy: 0.35383539265092107
Energy: 0.3432863490617265
Energy: 0.35175753774602847
Energy: 0.3432863490609519
Energy: 0.35175753774602847
Energy: 0.3432863490621138
Energy: 0.3517575377464157
Energy: 0.33441401241281193
Energy: 0.3773959493525198
Energy: 0.33441401241242463
Energy: 0.37739594935329446
Energy: 0.33441401241281193
Energy: 0.3773959493571676
Energy: 0.31366280478456143
Energy: 0.3314463644654106
Energy: 0.31366280478494873
Energy: 0.3314463644657979
Energy: 0.31366280478262487
Energy: 0.3314463644657979
Energy: 0.32577939901518244
Energy: 0.33341986965440895
Energy: 0.32577939901363323
Energy: 0.33341986965440895
Energy: 0.3257793990140205
Energy: 0.33341986965440895
Energy: 0.3228597095710779
Energy: 0.4058948139635975
Energy: 0.3228597095691414
Energy: 0.4058948139635975
Energy: 0.3143130838909516
Energy: 0.4058948139635975
Energy: 0.3021878552037563
Energy: 0.34203045170686536
Energy: 0.302187855203369
Energy: 0.34203045170609075
Energy: 0.30218785520259434
Energy: 0.34203045170647806
Energy: 0.2935854758911631
Energy: 0.30762819931746205
Energy: 0.2935854758911631
Energy: 0.30762819931707475
Energy: 0.2935854758911631
Energy: 0.30762819931707475
Energy: 0.3304411641534411
Energy: 0.38698414831380495
Energy: 0.3304411641534411
Energy: 0.3869841483145796
Energy: 0.33044116415305375
Energy: 0.3869841483141923
Energy: 0.29727073074830024
Energy: 0.43540204832595925
Energy: 0.29727073074791294
Energy: 0.43540204832595925
Energy: 0.29727073074752564
Energy: 0.43540204832712115
Energy: 0.2937763676559403
Energy: 0.2976289576543728
Energy: 0.293776367655553
Energy: 0.2976289576543728
Energy: 0.293776367655553
Energy: 0.2976289576543728
Energy: 0.3239491929524844
Energy: 0.29688442611462174
Energy: 0.3239491929513225
Energy: 0.2968844261153964
Energy: 0.3239491929520971
Energy: 0.2968844261153964
Energy: 0.3376045735334867
Energy: 0.3848126594625367
Energy: 0.337604573533874
Energy: 0.3848126594609874
Energy: 0.3376045735327121
Energy: 0.3848126594602128
Energy: 0.3134870229441819
Energy: 0.323225902170452
Energy: 0.3134870229437946
Energy: 0.32322590217083924
Energy: 0.3134870229445692
Energy: 0.323225902170452
Energy: 0.30233571678573806
Energy: 0.29687670396238813
Energy: 0.30233571678612536
Energy: 0.29687670395928967
Energy: 0.30233571678535076
Energy: 0.29687670396045157

minimum gb energy = 0.2935854758911631 eV
minimum distance =  2.63695893952048 Angstroms
sigma value = 81


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

Energy: 0.06962646123197415
Energy: 0.09089365520038988
Energy: 0.06962646123197415
Energy: 0.09089365520038988
Energy: 0.06962646123197415
Energy: 0.09089365520053543
Energy: 0.34527950889775766
Energy: 0.10062528064313545
Energy: 0.345279508897887
Energy: 0.10062528064298991
Energy: 0.34527950889803255
Energy: 0.10062528064256944
Energy: 0.3451826082452855
Energy: 0.07079676507321102
Energy: 0.34518260824513997
Energy: 0.07079676507264503
Energy: 0.34518260824513997
Energy: 0.07079676507335655
Energy: 0.06962646123197415
Energy: 0.09089365520053543
Energy: 0.06962646123197415
Energy: 0.09089365520038988
Energy: 0.06962646123184478
Energy: 0.09089365520053543
Energy: 0.34527950889761216
Energy: 0.1006252806424239
Energy: 0.34527950889775766
Energy: 0.1006252806424239
Energy: 0.34527950889775766
Energy: 0.10062528064256944
Energy: 0.345182608245431
Energy: 0.0707967650735021
Energy: 0.345182608245431
Energy: 0.07079676507306548
Energy: 0.34518260824513997
Energy: 0.07079676507335655
Energy: 0.06962646123197415
Energy: 0.09089365520053543
Energy: 0.06962646123197415
Energy: 0.09089365520038988
Energy: 0.06962646123197415
Energy: 0.09089365520053543
Energy: 0.34527950889775766
Energy: 0.10062528064298991
Energy: 0.34527950889775766
Energy: 0.10062528064313545
Energy: 0.34527950889775766
Energy: 0.10062528064271499
Energy: 0.3451826082452855
Energy: 0.07079676507279056
Energy: 0.34518260824513997
Energy: 0.07079676507335655
Energy: 0.3451826082452855
Energy: 0.07079676507321102
Energy: 0.06962646123197415
Energy: 0.09089365520038988
Energy: 0.0696264612321197
Energy: 0.09089365520082648
Energy: 0.06962646123197415
Energy: 0.09089365520068096

minimum gb energy = 0.06962646123184478 eV
minimum distance =  2.82486275783382 Angstroms
sigma value = 3


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

Energy: 0.38963981060956404
Energy: 0.29960865972207834
Energy: 0.38963981060999
Energy: 0.2996086597216525
Energy: 0.38963981060956404
Energy: 0.2996086597216525
Energy: 0.27735554614937236
Energy: 0.27308064288456957
Energy: 0.2773555461502241
Energy: 0.2730806428841438
Energy: 0.2773555461502241
Energy: 0.27308064288371786
Energy: 0.35525552800473514
Energy: 0.27318087190168244
Energy: 0.35525552800558685
Energy: 0.27318087190168244
Energy: 0.3761222515812153
Energy: 0.27318087190168244
Energy: 0.318081422141865
Energy: 0.3092017874613148
Energy: 0.31808142214229085
Energy: 0.309201787460889
Energy: 0.31808142214143914
Energy: 0.309201787460889
Energy: 0.32823834995177903
Energy: 0.3009275085004972
Energy: 0.32823834995177903
Energy: 0.30092750850092304
Energy: 0.32823834995177903
Energy: 0.30092750850134886
Energy: 0.3454734457097627
Energy: 0.32024106502076766
Energy: 0.3454734457097627
Energy: 0.32024106502034183
Energy: 0.3454734457097627
Energy: 0.32024106501991595
Energy: 0.29198574927123394
Energy: 0.336742328072986
Energy: 0.29198574926997567
Energy: 0.33674232807341187
Energy: 0.29198574927123394
Energy: 0.33674232807341187
Energy: 0.32179020524600305
Energy: 0.3019339670001305
Energy: 0.321790205246429
Energy: 0.3019339669980012
Energy: 0.32179020524600305
Energy: 0.3019339670001305
Energy: 0.3457677250685158
Energy: 0.3535205171329926
Energy: 0.3457677250685158
Energy: 0.3535205171329926
Energy: 0.3457677250685158
Energy: 0.3535205171334184
Energy: 0.2920247153612639
Energy: 0.3218680443972893
Energy: 0.2920247153612639
Energy: 0.3218680443972893
Energy: 0.2920247153612639
Energy: 0.3218680443972893
Energy: 0.3245247516072149
Energy: 0.3191521163578941
Energy: 0.32452475160678906
Energy: 0.31915211635576485
Energy: 0.3245247516072149
Energy: 0.3191521163553389
Energy: 0.36566566294692815
Energy: 0.3779333338049738
Energy: 0.3656656629465022
Energy: 0.3779333338049738
Energy: 0.36566566294692815
Energy: 0.3779333338053997
Energy: 0.2979215018889297
Energy: 0.3084767409300429
Energy: 0.2979215018902072
Energy: 0.30847674093046873
Energy: 0.29792150188722627
Energy: 0.3084767409300429
Energy: 0.2841337550223514
Energy: 0.31071797666079276
Energy: 0.28413375502277716
Energy: 0.31071797666377377
Energy: 0.28413375502192545
Energy: 0.31071797666036693
Energy: 0.31953701800247813
Energy: 0.3205937965312337
Energy: 0.31953701800247813
Energy: 0.32059379653293707
Energy: 0.31953701800247813
Energy: 0.3205937965342147
Energy: 0.29759824884357533
Energy: 0.32280183098522347
Energy: 0.29759824884357533
Energy: 0.32280183098522347
Energy: 0.29759824884357533
Energy: 0.32280183098479764
Energy: 0.34463305378838327
Energy: 0.2746935502622821
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Energy: 0.2746935502618562
Energy: 0.34463305378838327
Energy: 0.27469355026143033
Energy: 0.31962989544996806
Energy: 0.3007962374277377
Energy: 0.31962989544954223
Energy: 0.3007962374332738
Energy: 0.31962989544996806
Energy: 0.3007962374311446
Energy: 0.31859364065364093
Energy: 0.3546170734264275
Energy: 0.31859364065321505
Energy: 0.35461707342685334
Energy: 0.31859364065193746
Energy: 0.3546170734264275
Energy: 0.3164414638398064
Energy: 0.3323827204488428
Energy: 0.3164414638402323
Energy: 0.332382720448417
Energy: 0.3164414638402323
Energy: 0.3323827204479911
Energy: 0.33191493389515525
Energy: 0.27688720371923997
Energy: 0.33191493389515525
Energy: 0.27688720372264686
Energy: 0.33191493389515525
Energy: 0.2768872037158331
Energy: 0.28867598489959356
Energy: 0.32743247139370707
Energy: 0.2886759848991677
Energy: 0.3274324713932812
Energy: 0.28867598489959356
Energy: 0.32743247139370707
Energy: 0.3192345203060781
Energy: 0.3115979753970729
Energy: 0.31923452030565225
Energy: 0.3115979753992022
Energy: 0.31923452030650395
Energy: 0.3115979753992022
Energy: 0.31855933842807704
Energy: 0.2673941555844499
Energy: 0.3185593384259478
Energy: 0.2673941555848758
Energy: 0.31855933843276146
Energy: 0.2673941555844499
Energy: 0.3201959155936763
Energy: 0.3522121939656033
Energy: 0.3201959155936763
Energy: 0.3522121939656033
Energy: 0.3201959155953604
Energy: 0.3522121939656033
Energy: 0.29758822005010205
Energy: 0.3002263501844479
Energy: 0.2975882200505279
Energy: 0.30022635018487365
Energy: 0.29758822005010205
Energy: 0.30022635018487365
Energy: 0.34918545106820187
Energy: 0.33577048526437003
Energy: 0.3491854510690535
Energy: 0.3357704852647959
Energy: 0.3491854510690535
Energy: 0.33577048526437003
Energy: 0.29138190226131877
Energy: 0.3465957058112522
Energy: 0.29138190226089294
Energy: 0.3465957058112522
Energy: 0.2913819022617446
Energy: 0.3465957058112522
Energy: 0.282456076351295
Energy: 0.3008914891625882
Energy: 0.2824560763508692
Energy: 0.300891489163014
Energy: 0.2824560763508692
Energy: 0.300891489163014
Energy: 0.3691733865158932
Energy: 0.34347045149525596
Energy: 0.3691733865158932
Energy: 0.34347045149568173
Energy: 0.3691733865158932
Energy: 0.34347045149568173
Energy: 0.32437706561040197
Energy: 0.33814036071608927
Energy: 0.3243770656112537
Energy: 0.33814036071608927
Energy: 0.32437706560997615
Energy: 0.33814036071608927
Energy: 0.31929546596458
Energy: 0.29063619896539156
Energy: 0.31929546596458
Energy: 0.29063619896581744
Energy: 0.3192954659641542
Energy: 0.29063619896581744
Energy: 0.26313173610619783
Energy: 0.3316814169720681
Energy: 0.2631317361074754
Energy: 0.3316814169720681
Energy: 0.2631317361049203
Energy: 0.3316814169720681

minimum gb energy = 0.2631317361049203 eV
minimum distance =  2.68727385450007 Angstroms
sigma value = 67


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

Energy: 0.43193591549934207
Energy: 0.35862928589524734
Energy: 0.43193591549934207
Energy: 0.35862928589524734
Energy: 0.4319359155005557
Energy: 0.35862928589524734
Energy: 0.37502835883056335
Energy: 0.37535815753395396
Energy: 0.37502835883056335
Energy: 0.37535815753395396
Energy: 0.3750283588311701
Energy: 0.37535815753395396
Energy: 0.3933467142370281
Energy: 0.3775037045881346
Energy: 0.42919521679995565
Energy: 0.3775037045881346
Energy: 0.42919521680056244
Energy: 0.37750370458752786
Energy: 0.3757780460648807
Energy: 0.3516879695542486
Energy: 0.37577804606245346
Energy: 0.3516879695542486
Energy: 0.3757780460630603
Energy: 0.3516879695542486
Energy: 0.3749054190417271
Energy: 0.34853233536353245
Energy: 0.3749054190423339
Energy: 0.34853233536292566
Energy: 0.3749054190417271
Energy: 0.34853233536353245
Energy: 0.4018608921471758
Energy: 0.39273115546135745
Energy: 0.4018608921471758
Energy: 0.39273115546135745
Energy: 0.4018608921471758
Energy: 0.39273115546135745
Energy: 0.3375736195719037
Energy: 0.3947231395826909
Energy: 0.3375736195706901
Energy: 0.3947231395826909
Energy: 0.33757361957129683
Energy: 0.3947231395826909
Energy: 0.4026146549577664
Energy: 0.38320274498557316
Energy: 0.4026146549577664
Energy: 0.3832027449843596
Energy: 0.4026146549583732
Energy: 0.38320274498557316
Energy: 0.3950406048169489
Energy: 0.37848658713256694
Energy: 0.3950406048163422
Energy: 0.3784865871404552
Energy: 0.3950406048163422
Energy: 0.37848658713378047
Energy: 0.336188542860974
Energy: 0.37654841655119736
Energy: 0.33618854286158084
Energy: 0.37654841655119736
Energy: 0.33618854286158084
Energy: 0.37654841655119736
Energy: 0.35694209110379205
Energy: 0.41897948043091243
Energy: 0.35694209110379205
Energy: 0.4189794804315193
Energy: 0.35694209110379205
Energy: 0.4189794804315193
Energy: 0.36791572575694886
Energy: 0.3550663235967904
Energy: 0.36791572575634207
Energy: 0.35506632359919005
Energy: 0.36791572575634207
Energy: 0.3550663235973972
Energy: 0.3708487408416884
Energy: 0.40522630695651546
Energy: 0.37084874084108155
Energy: 0.40522630695651546
Energy: 0.3708487408416884
Energy: 0.40522630695651546
Energy: 0.3620990650851827
Energy: 0.45318370473386477
Energy: 0.3620990650857895
Energy: 0.453183704733258
Energy: 0.3620990650857895
Energy: 0.453183704733258
Energy: 0.371645772968037
Energy: 0.3194195585645039
Energy: 0.371645772968037
Energy: 0.31941955856389703
Energy: 0.37164577296743023
Energy: 0.31941955856329024
Energy: 0.3694905966371609
Energy: 0.3611865691471193
Energy: 0.36949059663594735
Energy: 0.3611865691471193
Energy: 0.3694905966371609
Energy: 0.3611865691471193
Energy: 0.3601114938258709
Energy: 0.37747079318765886
Energy: 0.3601114938252641
Energy: 0.37747079318765886
Energy: 0.3601114938252641
Energy: 0.37747079318765886
Energy: 0.33344945603979054
Energy: 0.36217281676308655
Energy: 0.3334494560458585
Energy: 0.36217281676308655
Energy: 0.3334494560410041
Energy: 0.36217281676308655
Energy: 0.3662299688419372
Energy: 0.4154798101131499
Energy: 0.3662299688413304
Energy: 0.41547981011254304
Energy: 0.3662299688395099
Energy: 0.4154798101131499
Energy: 0.3933026950217622
Energy: 0.3448645143301352
Energy: 0.3933026950217622
Energy: 0.3448645143301352
Energy: 0.3933026950217622
Energy: 0.34486451433074206
Energy: 0.39663913286349384
Energy: 0.3191254382664933
Energy: 0.39663913286531416
Energy: 0.3191254382658865
Energy: 0.39663913286531416
Energy: 0.3191254382658865
Energy: 0.43548406940413686
Energy: 0.4178594289620885
Energy: 0.43548406940413686
Energy: 0.4178594289620885
Energy: 0.43548406940413686
Energy: 0.4178594289620885
Energy: 0.3757401480432627
Energy: 0.3443831253088926
Energy: 0.37574014804386957
Energy: 0.3443831253094994
Energy: 0.3757401480432627
Energy: 0.34438312531010623

minimum gb energy = 0.3191254382658865 eV
minimum distance =  2.68895382063517 Angstroms
sigma value = 33


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

Energy: 0.46841820211139323
Energy: 0.3636038969872101
Energy: 0.46841820211062335
Energy: 0.36360389698797996
Energy: 0.46841820211100826
Energy: 0.3636038969872101
Energy: 0.4018955841112772
Energy: 0.4062023252632997
Energy: 0.4018955841112772
Energy: 0.4062023252629148
Energy: 0.4018955841112772
Energy: 0.4062023252629148
Energy: 0.4402421502361216
Energy: 0.40690983353945637
Energy: 0.4402421502361216
Energy: 0.40690983354022625
Energy: 0.4402421502365066
Energy: 0.4069098335398413
Energy: 0.46136372358359506
Energy: 0.3711806057072503
Energy: 0.46136372358359506
Energy: 0.3711806057072503
Energy: 0.46136372358398
Energy: 0.3711806057068653
Energy: 0.4227663323478051
Energy: 0.4308389499686785
Energy: 0.4227663323478051
Energy: 0.4308389499698333
Energy: 0.42276633234857497
Energy: 0.4308389499694484
Energy: 0.4813763893304344
Energy: 0.4507741030739641
Energy: 0.4813763893342838
Energy: 0.4737033616333552
Energy: 0.48137638933620847
Energy: 0.4737033616329703
Energy: 0.40049452919483375
Energy: 0.4416809042372772
Energy: 0.40049452919444883
Energy: 0.4416809042372772
Energy: 0.40049452919444883
Energy: 0.4416809042372772
Energy: 0.38196331646638976
Energy: 0.46169750653472785
Energy: 0.3819633164675447
Energy: 0.46169750653511277
Energy: 0.38196331646638976
Energy: 0.46169750653511277
Energy: 0.4051304029267318
Energy: 0.4445359505250098
Energy: 0.405130402925577
Energy: 0.4445359505273194
Energy: 0.4051304029267318
Energy: 0.44453595052539474
Energy: 0.39665177787208855
Energy: 0.4412638732049657
Energy: 0.39665177787247347
Energy: 0.44126387320689037
Energy: 0.39665177787247347
Energy: 0.45629293714155883
Energy: 0.3884705380394758
Energy: 0.4731106246458397
Energy: 0.3884705380406306
Energy: 0.4731106246454548
Energy: 0.3884705380406306
Energy: 0.4731106246458397
Energy: 0.40101750658187035
Energy: 0.4082564590272752
Energy: 0.4010175065807155
Energy: 0.4082564590272752
Energy: 0.4010175065807155
Energy: 0.4082564590272752
Energy: 0.4228069984632684
Energy: 0.36574290391376685
Energy: 0.42280699846249853
Energy: 0.3657429039141518
Energy: 0.4228069984636533
Energy: 0.3657429039141518
Energy: 0.39262122878680994
Energy: 0.4050419383172711
Energy: 0.3926212287871949
Energy: 0.4050419383172711
Energy: 0.39262122878680994
Energy: 0.405041938317656
Energy: 0.36084007476490576
Energy: 0.405117954911858
Energy: 0.36084007476452085
Energy: 0.4051179549110881
Energy: 0.36084007476567564
Energy: 0.40511795491147307
Energy: 0.4611952743284671
Energy: 0.43776682924169746
Energy: 0.4611952743280821
Energy: 0.43776682924169746
Energy: 0.4611952743284671
Energy: 0.43776682924131255
Energy: 0.419191903545085
Energy: 0.3774594778459986
Energy: 0.419191903545085
Energy: 0.3774594778459986
Energy: 0.41919190354547
Energy: 0.3774594778456137
Energy: 0.4546009611935452
Energy: 0.4439228452546639
Energy: 0.4546009611962398
Energy: 0.4439228452546639
Energy: 0.45460096119739457
Energy: 0.4439228452546639
Energy: 0.40016094422661236
Energy: 0.4540096161629367
Energy: 0.40016094422661236
Energy: 0.4540096161625518
Energy: 0.40016094422738224
Energy: 0.4540096161629367
Energy: 0.4468650134863099
Energy: 0.37827074123950266
Energy: 0.446865013485925
Energy: 0.37827074123950266
Energy: 0.4468650134866949
Energy: 0.37827074123911775
Energy: 0.45009515342431383
Energy: 0.4391750570271446
Energy: 0.45009515342469875
Energy: 0.43917505702675963
Energy: 0.45009515342431383
Energy: 0.4391750570271446
Energy: 0.4171119414428049
Energy: 0.4236813536082151
Energy: 0.417111941442035
Energy: 0.4236813536082151
Energy: 0.417111941442035
Energy: 0.4236813536082151
Energy: 0.38911470063948034
Energy: 0.47316779793950997
Energy: 0.38911470063948034
Energy: 0.47316779793950997
Energy: 0.38911470063948034
Energy: 0.47316779793950997
Energy: 0.4270510333312644
Energy: 0.3920100239470229
Energy: 0.42705103333203426
Energy: 0.39201002394740786
Energy: 0.4270510333316493
Energy: 0.3920100239470229
Energy: 0.40128921881350055
Energy: 0.4089354061279209
Energy: 0.40128921881465546
Energy: 0.408935406127536
Energy: 0.4012892188138855
Energy: 0.4089354061279209
Energy: 0.3916716800358695
Energy: 0.4599507847898358
Energy: 0.3916716800358695
Energy: 0.4599507847898358
Energy: 0.39167168003625447
Energy: 0.4599507847898358
Energy: 0.4013018635853559
Energy: 0.4221291083276545
Energy: 0.40130186358381614
Energy: 0.4221291083276545
Energy: 0.401301863584971
Energy: 0.4221291083272695
Energy: 0.4487863186295079
Energy: 0.4793093716552059
Energy: 0.4487863186298928
Energy: 0.4793093716571306
Energy: 0.4487863186295079
Energy: 0.47930937165174137
Energy: 0.4491524616201291
Energy: 0.43089594206136433
Energy: 0.44915246162051403
Energy: 0.4308959420609794
Energy: 0.4491524616212839
Energy: 0.4308959420609794
Energy: 0.4036829206632207
Energy: 0.44190864588462725
Energy: 0.4036829206632207
Energy: 0.44190864588385736
Energy: 0.4036829206632207
Energy: 0.44190864588385736
Energy: 0.47566677718355094
Energy: 0.4430066952682328
Energy: 0.47566677718278105
Energy: 0.44300669526784775
Energy: 0.47566677718393585
Energy: 0.4430066952682328
Energy: 0.42168820352643993
Energy: 0.3785039913308614
Energy: 0.42168820352605496
Energy: 0.3785039913308614
Energy: 0.42168820352682485
Energy: 0.3785039913312463
Energy: 0.460035204017211
Energy: 0.4519012687074993
Energy: 0.460035204017211
Energy: 0.4519012687074993
Energy: 0.46003520401682607
Energy: 0.45190126870711433
Energy: 0.4138199092378442
Energy: 0.406298820536064
Energy: 0.4138199092378442
Energy: 0.4062988205364489
Energy: 0.4138199092374592
Energy: 0.406298820536064
Energy: 0.39230431237213004
Energy: 0.40685337621541373
Energy: 0.392304312372515
Energy: 0.40685337621541373
Energy: 0.39230431237213004
Energy: 0.40685337621502876
Energy: 0.4847100708954148
Energy: 0.3646164311696094
Energy: 0.4847100708950298
Energy: 0.3646164311699943
Energy: 0.4847100708961847
Energy: 0.3646164311699943
Energy: 0.4002760138714862
Energy: 0.40363640119000244
Energy: 0.4002760138718711
Energy: 0.4036364011903874
Energy: 0.4002760138714862
Energy: 0.4036364011903874

minimum gb energy = 0.36084007476452085 eV
minimum distance =  2.66936624090522 Angstroms
sigma value = 41


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

Energy: 0.513150394301458
Energy: 0.4227782510945059
Energy: 0.513150394301458
Energy: 0.4227782510945059
Energy: 0.513150394301458
Energy: 0.42277825109345485
Energy: 0.4400645506478357
Energy: 0.4662519307552076
Energy: 0.4400645506478357
Energy: 0.4662519307552076
Energy: 0.4400645506467847
Energy: 0.4662519307552076
Energy: 0.556879228207883
Energy: 0.46810842790238133
Energy: 0.556879228207883
Energy: 0.46810842790238133
Energy: 0.5257950662749918
Energy: 0.46810842790238133
Energy: 0.477274531813326
Energy: 0.5347260533495177
Energy: 0.477274531813326
Energy: 0.5347260533505688
Energy: 0.477274531813326
Energy: 0.5347260533505688
Energy: 0.48541978110747286
Energy: 0.4696353597484561
Energy: 0.48541978110747286
Energy: 0.4696353597484561
Energy: 0.48541978110747286
Energy: 0.4696353597484561
Energy: 0.5200122128999481
Energy: 0.4874969381649244
Energy: 0.5200122128988971
Energy: 0.4874969381659754
Energy: 0.5200122128988971
Energy: 0.4874969381638734
Energy: 0.4504715299809157
Energy: 0.48853612093877957
Energy: 0.4504715299809157
Energy: 0.48853612093877957
Energy: 0.4504715299809157
Energy: 0.48853612093877957
Energy: 0.46913901467852864
Energy: 0.5113205271282933
Energy: 0.46913901467957964
Energy: 0.5113205271282933
Energy: 0.46913901467852864
Energy: 0.5113205271282933
Energy: 0.45543904650615097
Energy: 0.4483694812265832
Energy: 0.45543904650615097
Energy: 0.4483694812265832
Energy: 0.45543904650615097
Energy: 0.4483694812265832
Energy: 0.5133311374187608
Energy: 0.4246412345274798
Energy: 0.5133311374187608
Energy: 0.4246412345274798
Energy: 0.5133311374187608
Energy: 0.4246412345274798
Energy: 0.4417826752997464
Energy: 0.46821278263867355
Energy: 0.4417826752997464
Energy: 0.4682127826397246
Energy: 0.44178267530079746
Energy: 0.46821278263867355
Energy: 0.4796329894521791
Energy: 0.46613233873035564
Energy: 0.4796329894521791
Energy: 0.46613233873035564
Energy: 0.4796329894521791
Energy: 0.46613233873035564
Energy: 0.5306181478004615
Energy: 0.537910951807109
Energy: 0.5306181478015125
Energy: 0.537910951807109
Energy: 0.5306181478015125
Energy: 0.537910951807109
Energy: 0.5368234487454511
Energy: 0.47028631713349806
Energy: 0.5368234487454511
Energy: 0.47028631713349806
Energy: 0.5368234487454511
Energy: 0.47028631713349806

minimum gb energy = 0.42277825109345485 eV
minimum distance =  2.65326634505501 Angstroms
sigma value = 11


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

Energy: 0.5684042030039805
Energy: 0.5098889925845265
Energy: 0.5684042030039805
Energy: 0.5098889925845265
Energy: 0.5684042030044423
Energy: 0.5098889925845265
Energy: 0.4674049849806081
Energy: 0.5310953770750683
Energy: 0.4674049849801464
Energy: 0.5310953770746066
Energy: 0.4674049849801464
Energy: 0.5310953770746066
Energy: 0.5219875141000468
Energy: 0.5339280314522616
Energy: 0.5219875140982001
Energy: 0.5339280314522616
Energy: 0.5219875140972766
Energy: 0.5339280314522616
Energy: 0.5283689819576612
Energy: 0.4799243497598472
Energy: 0.5283689819590464
Energy: 0.4799243497598472
Energy: 0.528368981958123
Energy: 0.4799243497598472
Energy: 0.5294430064506095
Energy: 0.5305367076180485
Energy: 0.529443006449686
Energy: 0.5305367076180485
Energy: 0.529443006449686
Energy: 0.5305367076180485
Energy: 0.49483260013166525
Energy: 0.5285846210262499
Energy: 0.4948326001307418
Energy: 0.5285846210257883
Energy: 0.49483260013166525
Energy: 0.5285846210262499
Energy: 0.5398211409603507
Energy: 0.4952788394923744
Energy: 0.5398211409598889
Energy: 0.4952788394928361
Energy: 0.5398211409603507
Energy: 0.4952788394923744
Energy: 0.5144398025053012
Energy: 0.5095485306410932
Energy: 0.5144398025057628
Energy: 0.5095485306420166
Energy: 0.5144398025053012
Energy: 0.5095485306415548
Energy: 0.5062423141314839
Energy: 0.5106978749332834
Energy: 0.5062423141314839
Energy: 0.5106978749332834
Energy: 0.5062423141314839
Energy: 0.5106978749332834
Energy: 0.5271548959800156
Energy: 0.5114424028201422
Energy: 0.5271548959800156
Energy: 0.5114424028206039
Energy: 0.527154895979554
Energy: 0.5114424028206039
Energy: 0.4986161053619258
Energy: 0.5376932070631711
Energy: 0.4986161053628492
Energy: 0.5376932070627094
Energy: 0.4986161053619258
Energy: 0.5376932070627094
Energy: 0.5211986274998489
Energy: 0.5429963152869337
Energy: 0.5211986274998489
Energy: 0.5429963152873953
Energy: 0.5211986274998489
Energy: 0.5429963152869337
Energy: 0.5326672843461495
Energy: 0.5099985673607204
Energy: 0.5326672843461495
Energy: 0.5099985673607204
Energy: 0.5326672843461495
Energy: 0.5099985673611822
Energy: 0.4820395533940101
Energy: 0.5447164804605759
Energy: 0.4820395533944719
Energy: 0.5447164804605759
Energy: 0.4820395533935485
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Energy: 0.48215480775945035
Energy: 0.49517048337754066
Energy: 0.482154807758527
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Energy: 0.4821548077603737
Energy: 0.4951704833770789
Energy: 0.5430109783037445
Energy: 0.49505766877009527
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Energy: 0.49505766877055707
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Energy: 0.4830253052007837
Energy: 0.5258622862322161
Energy: 0.4830253052012454
Energy: 0.525862286232678
Energy: 0.4830253052007837
Energy: 0.525862286232678
Energy: 0.5608642453415529
Energy: 0.5570419266080884
Energy: 0.5608642453420145
Energy: 0.5570419266085502
Energy: 0.5608642453415529
Energy: 0.5570419266080884
Energy: 0.49725398040464336
Energy: 0.4857245194189536
Energy: 0.49725398040464336
Energy: 0.4857245194194153
Energy: 0.4972539804051051
Energy: 0.4857245194194153
Energy: 0.5076341618747849
Energy: 0.5432560203193882
Energy: 0.5076341618747849
Energy: 0.54325602031985
Energy: 0.5076341618752467
Energy: 0.5432560203193882
Energy: 0.4752304713793476
Energy: 0.4898459216912425
Energy: 0.47523047137980934
Energy: 0.4898459216912425
Energy: 0.4752304713793476
Energy: 0.4898459216912425
Energy: 0.5569615126194066
Energy: 0.5101852738132655
Energy: 0.5569615126194066
Energy: 0.5101852738137272
Energy: 0.5569615126194066
Energy: 0.5101852738132655
Energy: 0.5090409087478909
Energy: 0.5315290618475911
Energy: 0.5090409087483526
Energy: 0.5315290618475911
Energy: 0.5090409087483526
Energy: 0.5315290618475911
Energy: 0.5408575300300327
Energy: 0.5293440906430283
Energy: 0.5408575300304944
Energy: 0.5293440906430283
Energy: 0.5408575300304944
Energy: 0.5293440906430283
Energy: 0.5209613658024194
Energy: 0.503180794302004
Energy: 0.5209613658024194
Energy: 0.503180794302004
Energy: 0.5209613658024194
Energy: 0.503180794302004
Energy: 0.48730201834341824
Energy: 0.541695405428968
Energy: 0.4873020183429565
Energy: 0.541695405428968
Energy: 0.48730201834249487
Energy: 0.5416954054285064
Energy: 0.5081775261832199
Energy: 0.512955712472658
Energy: 0.5081775261841432
Energy: 0.5129557124712729
Energy: 0.5081775261832199
Energy: 0.5129557124717345
Energy: 0.537632095442934
Energy: 0.5141878719039465
Energy: 0.5376320954424724
Energy: 0.5141878719039465
Energy: 0.537632095442934
Energy: 0.5141878719039465
Energy: 0.48461550442001355
Energy: 0.5455405758823615
Energy: 0.48461550442001355
Energy: 0.5455405758818997
Energy: 0.4846155044195518
Energy: 0.5455405758823615
Energy: 0.48528067816738
Energy: 0.4733496525870869
Energy: 0.48528067816738
Energy: 0.4733496525870869
Energy: 0.48528067816784176
Energy: 0.4733496525870869
Energy: 0.5245867003514405
Energy: 0.5377550451643042
Energy: 0.5245867003519021
Energy: 0.5377550451643042
Energy: 0.5245867003514405
Energy: 0.5377550451638425

minimum gb energy = 0.4674049849801464 eV
minimum distance =  2.59317795147523 Angstroms
sigma value = 57


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

Energy: 0.4924854621049692
Energy: 0.44452171306411004
Energy: 0.4924854621049692
Energy: 0.44452171306411004
Energy: 0.4924854621049692
Energy: 0.44452171306411004
Energy: 0.5219009575879839
Energy: 0.5382650421595712
Energy: 0.5219009575879839
Energy: 0.5382650421595712
Energy: 0.5219009575879839
Energy: 0.5382650421595712
Energy: 0.5270469581249833
Energy: 0.5224797226529414
Energy: 0.5270469581249833
Energy: 0.5224797226529414
Energy: 0.5270469581258049
Energy: 0.522479722653763
Energy: 0.4997388745805301
Energy: 0.5865561815289284
Energy: 0.4997388745805301
Energy: 0.5865561815289284
Energy: 0.4997388745805301
Energy: 0.6330508491919051
Energy: 0.5269677189359148
Energy: 0.5225248761777023
Energy: 0.5269677189359148
Energy: 0.522524876176059
Energy: 0.5269677189350931
Energy: 0.522524876178524
Energy: 0.5218261491920432
Energy: 0.513241346775495
Energy: 0.5218261491920432
Energy: 0.5161661960347881
Energy: 0.5218261491920432
Energy: 0.5161661960339665
Energy: 0.4924854621041476
Energy: 0.4445217130624668
Energy: 0.4924854621049692
Energy: 0.4445217130624668
Energy: 0.4924854621041476
Energy: 0.4445217130624668
Energy: 0.5219009575896272
Energy: 0.5382650421587496
Energy: 0.5219009575896272
Energy: 0.5382650421587496
Energy: 0.5219009575888056
Energy: 0.5382650421587496
Energy: 0.5270469581258049
Energy: 0.5224797226521198
Energy: 0.5270469581258049
Energy: 0.5224797226529414
Energy: 0.5270469581258049
Energy: 0.5224797226521198
Energy: 0.4997388745780653
Energy: 0.5303942740194426
Energy: 0.4997388745780653
Energy: 0.5303942740186209
Energy: 0.4997388745780653
Energy: 0.5144592747464849
Energy: 0.5269677189359148
Energy: 0.5225248761768807
Energy: 0.5269677189359148
Energy: 0.522524876176059
Energy: 0.5269677189359148
Energy: 0.5225248761744158
Energy: 0.5218261491912215
Energy: 0.4741782568214991
Energy: 0.5218261491920432
Energy: 0.4741782568214991
Energy: 0.5218261491912215
Energy: 0.47417825682067755
Energy: 0.4924854621049692
Energy: 0.44452171306328847
Energy: 0.4924854621049692
Energy: 0.44452171306411004
Energy: 0.4924854621041476
Energy: 0.44452171306328847
Energy: 0.5219009575879839
Energy: 0.5382650421595712
Energy: 0.5219009575879839
Energy: 0.5382650421587496
Energy: 0.5219009575879839
Energy: 0.5382650421595712
Energy: 0.5270469581249833
Energy: 0.5224797226529414
Energy: 0.5270469581249833
Energy: 0.5224797226529414
Energy: 0.5270469581258049
Energy: 0.5224797226529414
Energy: 0.4997388745805301
Energy: 0.4633383164070508
Energy: 0.4997388745805301
Energy: 0.4633383164070508
Energy: 0.4997388745805301
Energy: 0.4633383164070508
Energy: 0.5269677189367363
Energy: 0.522524876178524
Energy: 0.5269677189367363
Energy: 0.5225248761777023
Energy: 0.5269677189367363
Energy: 0.5225248761768807

minimum gb energy = 0.4445217130624668 eV
minimum distance =  2.63941239236239 Angstroms
sigma value = 9


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

Energy: 0.5082850488024182
Energy: 0.5542516865487424
Energy: 0.5082850488024182
Energy: 0.5542516865487424
Energy: 0.5082850488024182
Energy: 0.5542516865480716
Energy: 0.5415584268279975
Energy: 0.5415280323510397
Energy: 0.5415584268286683
Energy: 0.541528032350369
Energy: 0.5415584268279975
Energy: 0.5415280323510397
Energy: 0.5223538737548197
Energy: 0.5066741323314876
Energy: 0.5223538737534781
Energy: 0.5066741323314876
Energy: 0.5579224376174768
Energy: 0.5066741323314876
Energy: 0.49306470979075134
Energy: 0.5724577618762685
Energy: 0.49306470979075134
Energy: 0.5724577618769393
Energy: 0.49306470979142214
Energy: 0.5724577618769393
Energy: 0.5035172911640884
Energy: 0.5445886610016341
Energy: 0.5035172911640884
Energy: 0.5445886610023049
Energy: 0.5035172911654301
Energy: 0.5445886610023049
Energy: 0.5657472958237034
Energy: 0.5121467851320384
Energy: 0.5657472958230325
Energy: 0.5121467851320384
Energy: 0.5657472958237034
Energy: 0.5121467851320384
Energy: 0.493449289971321
Energy: 0.514389101778822
Energy: 0.493449289971321
Energy: 0.514389101778822
Energy: 0.493449289971321
Energy: 0.514389101778822
Energy: 0.5559246766104841
Energy: 0.5150040066891827
Energy: 0.5559246766118258
Energy: 0.5150040066891827
Energy: 0.5559246766118258
Energy: 0.5150040066898535
Energy: 0.6098336061871663
Energy: 0.514699801768997
Energy: 0.609833606188508
Energy: 0.514699801768997
Energy: 0.6098336061864955
Energy: 0.5146998017696679
Energy: 0.493163395445124
Energy: 0.5233953154495291
Energy: 0.493163395445124
Energy: 0.5233953154488582
Energy: 0.4931633954444532
Energy: 0.5233953154495291
Energy: 0.537176525822133
Energy: 0.5229435645372895
Energy: 0.5371765258228038
Energy: 0.5229435645379603
Energy: 0.5371765258228038
Energy: 0.5229435645379603
Energy: 0.5400012398496632
Energy: 0.5006134671038633
Energy: 0.5400012398516756
Energy: 0.5006134671031925
Energy: 0.5400012398496632
Energy: 0.5006134671031925
Energy: 0.49784745569089595
Energy: 0.5552898820935723
Energy: 0.49784745569089595
Energy: 0.5552898820942431
Energy: 0.4978474556902251
Energy: 0.5552898820942431
Energy: 0.5043678827849957
Energy: 0.5335996265448516
Energy: 0.5043678827843249
Energy: 0.5335996265448516
Energy: 0.5043678827843249
Energy: 0.5335996265448516
Energy: 0.5670944055560686
Energy: 0.5125830560570731
Energy: 0.5670944055580811
Energy: 0.5125830560570731
Energy: 0.552145407671711
Energy: 0.5125830560577439
Energy: 0.5104084137371474
Energy: 0.5443795899435021
Energy: 0.5104084137371474
Energy: 0.5443795899428312
Energy: 0.5104084137371474
Energy: 0.5443795899441729
Energy: 0.5468320386369546
Energy: 0.5446742660118646
Energy: 0.5468320386369546
Energy: 0.5446742660111937
Energy: 0.5468320386389671
Energy: 0.5446742660111937
Energy: 0.5716090972167731
Energy: 0.5189147948465512
Energy: 0.5716090972174439
Energy: 0.5189147948465512
Energy: 0.5716090972161022
Energy: 0.5189147948465512
Energy: 0.5022858962662675
Energy: 0.5330199937143935
Energy: 0.5022858962669383
Energy: 0.5330199937143935
Energy: 0.5022858962662675
Energy: 0.5330199937150643
Energy: 0.5328105423292357
Energy: 0.5311251298004684
Energy: 0.5328105423292357
Energy: 0.5311251298011394
Energy: 0.532810542328565
Energy: 0.5311251298011394
Energy: 0.5407544870753047
Energy: 0.5004015943415641
Energy: 0.5407544870753047
Energy: 0.5004015943408933
Energy: 0.5407544870753047
Energy: 0.5004015943415641

minimum gb energy = 0.49306470979075134 eV
minimum distance =  2.62427137885977 Angstroms
sigma value = 27


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

Energy: 0.4968333544940864
Energy: 0.5489849537991868
Energy: 0.4968333544940864
Energy: 0.5489849537997523
Energy: 0.4968333544940864
Energy: 0.5489849537991868
Energy: 0.5271319761745579
Energy: 0.5239033945694322
Energy: 0.5271319761745579
Energy: 0.5239033945699977
Energy: 0.5271319761745579
Energy: 0.5239033945694322
Energy: 0.5321954915515081
Energy: 0.47733544182139437
Energy: 0.5321954915515081
Energy: 0.47733544182139437
Energy: 0.5321954915515081
Energy: 0.47733544182139437
Energy: 0.45207546716636016
Energy: 0.484060022145293
Energy: 0.45207546716636016
Energy: 0.4840600221447275
Energy: 0.4520754671669256
Energy: 0.4840600221447275
Energy: 0.4876199409273668
Energy: 0.520623736237831
Energy: 0.4876199409279323
Energy: 0.520623736237831
Energy: 0.4876199409268014
Energy: 0.520623736237831
Energy: 0.5153831165064412
Energy: 0.4849864094949623
Energy: 0.5153831165070067
Energy: 0.4849864094949623
Energy: 0.5153831165058759
Energy: 0.48498640949439686
Energy: 0.5251644364102632
Energy: 0.5428300994333881
Energy: 0.5251644364096978
Energy: 0.5428300994333881
Energy: 0.5251644364102632
Energy: 0.5428300994333881
Energy: 0.48906417792180884
Energy: 0.5348676016419353
Energy: 0.48906417792180884
Energy: 0.5348676016419353
Energy: 0.48906417792180884
Energy: 0.5348676016419353
Energy: 0.524778404217204
Energy: 0.45467005969775853
Energy: 0.5247784042177696
Energy: 0.45467005969775853
Energy: 0.5247784042160731
Energy: 0.45467005969775853
Energy: 0.4521545794398067
Energy: 0.5255674442917427
Energy: 0.4521545794398067
Energy: 0.5255674442917427
Energy: 0.4521545794403722
Energy: 0.5255674442917427
Energy: 0.45219203035083255
Energy: 0.5548726075386816
Energy: 0.4521920303502671
Energy: 0.5548726075386816
Energy: 0.4521920303502671
Energy: 0.5548726075386816
Energy: 0.541856541264364
Energy: 0.4719391155605845
Energy: 0.541856541264364
Energy: 0.4719391155605845
Energy: 0.541856541264364
Energy: 0.4719391155605845
Energy: 0.5014257841271599
Energy: 0.4842771638334059
Energy: 0.5014257841271599
Energy: 0.484277163832275
Energy: 0.5014257841271599
Energy: 0.4842771638339714
Energy: 0.452219845101795
Energy: 0.5232002901421693
Energy: 0.45221984510122953
Energy: 0.5232002901416039
Energy: 0.452219845101795
Energy: 0.5232002901416039
Energy: 0.512036947683806
Energy: 0.4855751407073004
Energy: 0.5120369476832405
Energy: 0.4855751407073004
Energy: 0.5120369476832405
Energy: 0.4855751407073004
Energy: 0.5252417336791465
Energy: 0.49698203143692443
Energy: 0.5252417336791465
Energy: 0.49698203143748976
Energy: 0.525241733679712
Energy: 0.49698203143748976
Energy: 0.473592735416982
Energy: 0.5365036679262095
Energy: 0.4735927354175475
Energy: 0.536503667926775
Energy: 0.473592735416982
Energy: 0.5365036679256441
Energy: 0.48390917675322903
Energy: 0.47723030612573775
Energy: 0.48390917675209805
Energy: 0.47723030612573775
Energy: 0.4839091767537945
Energy: 0.47723030612573775
Energy: 0.48367377323441063
Energy: 0.48940131364629935
Energy: 0.48367377323497607
Energy: 0.48940131364629935
Energy: 0.48367377323441063
Energy: 0.48940131364629935
Energy: 0.49683335449182453
Energy: 0.5489849537997523
Energy: 0.49683335449182453
Energy: 0.5489849537997523
Energy: 0.49683335449182453
Energy: 0.5489849537997523
Energy: 0.5271319761756889
Energy: 0.5239033945694322
Energy: 0.5271319761756889
Energy: 0.5239033945688668
Energy: 0.5271319761762543
Energy: 0.5239033945694322
Energy: 0.5321954915498116
Energy: 0.4773354418208289
Energy: 0.5321954915498116
Energy: 0.47733544182139437
Energy: 0.5321954915498116
Energy: 0.4773354418208289
Energy: 0.45207546716975294
Energy: 0.4840600221435966
Energy: 0.45207546716975294
Energy: 0.4840600221424657
Energy: 0.45207546716975294
Energy: 0.4840600221441621
Energy: 0.4876199409251049
Energy: 0.520623736238962
Energy: 0.4876199409262359
Energy: 0.5206237362383965
Energy: 0.4876199409251049
Energy: 0.520623736238962
Energy: 0.5153831165058759
Energy: 0.48498640949722416
Energy: 0.5153831165058759
Energy: 0.48498640949722416
Energy: 0.5153831165058759
Energy: 0.48498640949722416

minimum gb energy = 0.45207546716636016 eV
minimum distance =  2.63765880041876 Angstroms
sigma value = 19


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

Energy: 0.46078849550057555
Energy: 0.5465332936068694
Energy: 0.46078849550057555
Energy: 0.5465332936063814
Energy: 0.46078849550106366
Energy: 0.5465332936063814
Energy: 0.5534109401635382
Energy: 0.5102189773121578
Energy: 0.5534109401635382
Energy: 0.5102189773121578
Energy: 0.5534109401635382
Energy: 0.510218977312646
Energy: 0.5860846442637208
Energy: 0.4516841765662785
Energy: 0.5860846442637208
Energy: 0.4516841765662785
Energy: 0.6078433574502625
Energy: 0.4516841765662785
Energy: 0.44917540704686365
Energy: 0.5371858475083977
Energy: 0.44917540704686365
Energy: 0.5371858475083977
Energy: 0.44917540704686365
Energy: 0.5371858475083977
Energy: 0.4955609866296552
Energy: 0.5187938654390668
Energy: 0.4955609866296552
Energy: 0.5187938654395549
Energy: 0.4955609866301432
Energy: 0.5187938654395549
Energy: 0.5393285724965733
Energy: 0.4480755909142942
Energy: 0.5393285724970613
Energy: 0.4480755909142942
Energy: 0.5393285724965733
Energy: 0.4480755909142942
Energy: 0.4574887738883698
Energy: 0.5926371671134139
Energy: 0.4574887738888579
Energy: 0.5926371671134139
Energy: 0.4574887738883698
Energy: 0.5926371671134139
Energy: 0.4810463911927322
Energy: 0.5863721050449813
Energy: 0.4810463911937084
Energy: 0.5863721050454694
Energy: 0.4810463911927322
Energy: 0.5863721050449813
Energy: 0.5598727148223984
Energy: 0.4408025378750251
Energy: 0.5598727148223984
Energy: 0.4408025378750251
Energy: 0.5598727148223984
Energy: 0.4408025378750251
Energy: 0.5181378765648464
Energy: 0.5138380788813369
Energy: 0.5181378765643583
Energy: 0.5138380788813369
Energy: 0.5181378765648464
Energy: 0.5138380788813369
Energy: 0.4420634230800043
Energy: 0.5864153911307097
Energy: 0.4420634230800043
Energy: 0.5864153911307097
Energy: 0.4420634230795162
Energy: 0.5864153911307097
Energy: 0.5576401246061223
Energy: 0.45292529926009767
Energy: 0.5576401246056343
Energy: 0.45292529926009767
Energy: 0.5576401246056343
Energy: 0.4529252992596095
Energy: 0.5226390758773268
Energy: 0.5005403016423151
Energy: 0.5226390758773268
Energy: 0.5005403016418271
Energy: 0.5226390758768387
Energy: 0.5005403016418271
Energy: 0.44712746205008314
Energy: 0.5420616363365611
Energy: 0.44712746205008314
Energy: 0.542061636336073
Energy: 0.44712746205008314
Energy: 0.5420616363365611
Energy: 0.5091793951611756
Energy: 0.44556435170334613
Energy: 0.5091793951611756
Energy: 0.4455643517038341
Energy: 0.5091793951611756
Energy: 0.44556435170334613
Energy: 0.5840396392934649
Energy: 0.4408061283801784
Energy: 0.5840396392934649
Energy: 0.4408061283801784
Energy: 0.5840396392934649
Energy: 0.4408061283801784
Energy: 0.45478269700675217
Energy: 0.5270688430969438
Energy: 0.45478269700675217
Energy: 0.5270688430969438
Energy: 0.45478269700675217
Energy: 0.5270688430969438
Energy: 0.4973235674987204
Energy: 0.536807151640612
Energy: 0.4973235674987204
Energy: 0.5368071516411
Energy: 0.4973235674982323
Energy: 0.5368071516401238
Energy: 0.5395776726371605
Energy: 0.4475792031743536
Energy: 0.5395776726371605
Energy: 0.4475792031743536
Energy: 0.5395776726376487
Energy: 0.4475792031738655
Energy: 0.45420447568785005
Energy: 0.5174136931820663
Energy: 0.45420447568785005
Energy: 0.5174136931820663
Energy: 0.45420447568785005
Energy: 0.5174136931820663
Energy: 0.4480634714899024
Energy: 0.5867362781342927
Energy: 0.4480634714899024
Energy: 0.5867362781342927
Energy: 0.4480634714903905
Energy: 0.5867362781342927
Energy: 0.5767462005508639
Energy: 0.4515782343442561
Energy: 0.5767462005503757
Energy: 0.4515782343442561
Energy: 0.5767462005508639
Energy: 0.4515782343442561
Energy: 0.5232026768504067
Energy: 0.4946527042574488
Energy: 0.5232026768504067
Energy: 0.4946527042574488
Energy: 0.5232026768508948
Energy: 0.4946527042569607
Energy: 0.461509988415058
Energy: 0.5467846841797143
Energy: 0.46150998841554614
Energy: 0.5467846841792261
Energy: 0.461509988415058
Energy: 0.5467846841802022
Energy: 0.5149644720227792
Energy: 0.45167380766439746
Energy: 0.5149644720227792
Energy: 0.45167380766439746
Energy: 0.5149644720222911
Energy: 0.45167380766439746
Energy: 0.5198481607776985
Energy: 0.450336700308503
Energy: 0.5198481607723294
Energy: 0.450336700308503
Energy: 0.5198481607728174
Energy: 0.450336700308503
Energy: 0.444348165286018
Energy: 0.5286782682114207
Energy: 0.4443481652855299
Energy: 0.5286782682109327
Energy: 0.4443481652855299
Energy: 0.5286782682119088
Energy: 0.5433480153697915
Energy: 0.4476961985402809
Energy: 0.5433480153688153
Energy: 0.44769619853979287
Energy: 0.5433480153697915
Energy: 0.44769619853979287
Energy: 0.5269889825218164
Energy: 0.4476059653054685
Energy: 0.5269889825223045
Energy: 0.4476059653054685
Energy: 0.5269889825213283
Energy: 0.4476059653054685

minimum gb energy = 0.4408025378750251 eV
minimum distance =  2.63260775628788 Angstroms
sigma value = 101


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

Energy: 0.44076088211495573
Energy: 0.5506145190351901
Energy: 0.44076088211538483
Energy: 0.5506145190351901
Energy: 0.44076088211538483
Energy: 0.5506145190356192
Energy: 0.5451642522190823
Energy: 0.48262061921071997
Energy: 0.5451642522190823
Energy: 0.47067656922091344
Energy: 0.5451642522186532
Energy: 0.4747526678670116
Energy: 0.5392255052180156
Energy: 0.43015551360530835
Energy: 0.5392255052180156
Energy: 0.43015551360530835
Energy: 0.5392255052180156
Energy: 0.43015551360573745
Energy: 0.42383008943647993
Energy: 0.6042790369934457
Energy: 0.4238300894360508
Energy: 0.6042790369934457
Energy: 0.4238300894360508
Energy: 0.6431403661404648
Energy: 0.43006227877179176
Energy: 0.5028112783149059
Energy: 0.4300622787722208
Energy: 0.5028112783149059
Energy: 0.4300622787722208
Energy: 0.5028112783149059
Energy: 0.5350972944615578
Energy: 0.42391291959069033
Energy: 0.5350972944615578
Energy: 0.42391291959069033
Energy: 0.5350972944615578
Energy: 0.42391291959069033
Energy: 0.43358878012943775
Energy: 0.5451255127086182
Energy: 0.43358878012643426
Energy: 0.5451255127090473
Energy: 0.4335887801272924
Energy: 0.5451255127099055
Energy: 0.4293729020401987
Energy: 0.5518601652711983
Energy: 0.4293729020397696
Energy: 0.5518601652716273
Energy: 0.4293729020397696
Energy: 0.6879005523383126
Energy: 0.5351209917842147
Energy: 0.42480162253625
Energy: 0.5351209917842147
Energy: 0.42480162253625
Energy: 0.5351209917842147
Energy: 0.42480162253625
Energy: 0.43412104233613535
Energy: 0.5468092605328794
Energy: 0.43412104233699356
Energy: 0.5176319396720548
Energy: 0.4341210423352773
Energy: 0.5553712030400395
Energy: 0.4226391618977128
Energy: 0.5958513641104091
Energy: 0.4226391618977128
Energy: 0.595851364110838
Energy: 0.4226391618977128
Energy: 0.595851364110838
Energy: 0.6114869771967474
Energy: 0.4655809638204531
Energy: 0.6114869771971764
Energy: 0.465580963820024
Energy: 0.6114869771967474
Energy: 0.47541164603034486
Energy: 0.5437062785543373
Energy: 0.43017738092538
Energy: 0.5437062785547663
Energy: 0.43017738092538
Energy: 0.5437062785547663
Energy: 0.4301773809258091
Energy: 0.44372473879579183
Energy: 0.5733171733731164
Energy: 0.44372473879579183
Energy: 0.5733171733731164
Energy: 0.44372473879622093
Energy: 0.5978256887176056
Energy: 0.44197082605918003
Energy: 0.4659608716034202
Energy: 0.441970826058751
Energy: 0.4659608716034202
Energy: 0.4419708260561766
Energy: 0.4659608716034202
Energy: 0.5411695312884625
Energy: 0.43180035792341254
Energy: 0.5411695312884625
Energy: 0.4318003579238416
Energy: 0.5411695312884625
Energy: 0.4318003579238416
Energy: 0.4226125245726591
Energy: 0.6052772773382976
Energy: 0.4226125245726591
Energy: 0.6052772773382976
Energy: 0.4226125245726591
Energy: 0.6052772773378685
Energy: 0.42020655736430945
Energy: 0.5021504236918625
Energy: 0.42020655736388035
Energy: 0.5021504236910045
Energy: 0.42020655736388035
Energy: 0.5021504236922916
Energy: 0.5342718912908488
Energy: 0.42466375794960726
Energy: 0.5342718912904197
Energy: 0.42466375794917816
Energy: 0.5342718912908488
Energy: 0.42466375794960726
Energy: 0.43410374560654585
Energy: 0.5062467288087978
Energy: 0.43410374560654585
Energy: 0.506246728810085
Energy: 0.43410374560697496
Energy: 0.5062467288092269
Energy: 0.4310604885459981
Energy: 0.6035503452410601
Energy: 0.431060488545569
Energy: 0.6035503452406311
Energy: 0.431060488545569
Energy: 0.6035503452406311
Energy: 0.6009374418682679
Energy: 0.4239942824653918
Energy: 0.6009374418682679
Energy: 0.4239942824653918
Energy: 0.600937441868697
Energy: 0.42399428246496274
Energy: 0.5456947491569932
Energy: 0.42385480362450767
Energy: 0.5456947491569932
Energy: 0.42385480362450767
Energy: 0.5456947491565641
Energy: 0.42385480362450767
Energy: 0.42386850210782584
Energy: 0.5383361455683779
Energy: 0.42386850210825494
Energy: 0.5383361455683779
Energy: 0.42386850210782584
Energy: 0.5383361455683779
Energy: 0.45960254346178536
Energy: 0.43802098712972337
Energy: 0.4596025434613563
Energy: 0.43802098712972337
Energy: 0.45960254347809004
Energy: 0.4380209871288652
Energy: 0.5434292144690102
Energy: 0.4317358405621331
Energy: 0.5434292144685813
Energy: 0.4317358405621331
Energy: 0.5434292144690102
Energy: 0.4317358405621331
Energy: 0.4409024794164549
Energy: 0.5724312863434043
Energy: 0.4409024794164549
Energy: 0.5724312863434043
Energy: 0.4409024794164549
Energy: 0.5724312863434043
Energy: 0.44108593592817524
Energy: 0.49769937442854234
Energy: 0.44108593592903345
Energy: 0.4976993744294005
Energy: 0.44108593592774614
Energy: 0.4976993744298296
Energy: 0.538217134746113
Energy: 0.4300566930420489
Energy: 0.538217134746113
Energy: 0.4300566930420489
Energy: 0.5382171347465421
Energy: 0.4300566930420489
Energy: 0.4201878780359943
Energy: 0.45583851189207614
Energy: 0.4201878780364234
Energy: 0.45583851189207614
Energy: 0.4201878780359943
Energy: 0.45583851188993074
Energy: 0.42260358195995157
Energy: 0.5372167325007816
Energy: 0.4226035819603806
Energy: 0.5372167325007816
Energy: 0.42260358195995157
Energy: 0.5372167325007816
Energy: 0.5604654129377031
Energy: 0.42412276425394935
Energy: 0.5604654129381322
Energy: 0.4241227642535203
Energy: 0.560465412937274
Energy: 0.4241227642535203
Energy: 0.5386407201502044
Energy: 0.42324634840892644
Energy: 0.5386407201502044
Energy: 0.42324634840892644
Energy: 0.5386407201497754
Energy: 0.42324634840892644

minimum gb energy = 0.4201878780359943 eV
minimum distance =  2.64489066735659 Angstroms
sigma value = 33


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

Energy: 0.011810504009795863
Energy: 0.6174269972271536
Energy: 0.011810504009795863
Energy: 0.6174269972271536
Energy: 0.011810504009795863
Energy: 0.6174269972271536
Energy: 0.013406431581068494
Energy: 0.1835145400942762
Energy: 0.013406431581424995
Energy: 0.1835145400946327
Energy: 0.013406431581068494
Energy: 0.18351454009391968
Energy: 0.18351454009391968
Energy: 0.18350184165868422
Energy: 0.18350184165868422
Energy: 0.18350184165868422
Energy: 0.18350184165868422
Energy: 0.18350184165832772
Energy: 0.013406431582454886
Energy: 0.1835145400953259
Energy: 0.013406431582454886
Energy: 0.1835145400953259
Energy: 0.013406431582454886
Energy: 0.1835145400949694

minimum gb energy = 0.011810504009795863 eV
minimum distance =  2.83249659085946 Angstroms
sigma value = 1