Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999862909317
cohesive_energy=3.3503944978124447
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: -0.00986900153303542 eV

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

Energy: 0.01032450389750153
Energy: 0.29767696613771677
Energy: 0.01032450389750153
Energy: 0.29767696613771677
Energy: 0.01032450389750153
Energy: 0.29767696613771677
Energy: 0.2976769661379389
Energy: 0.4636483559076856
Energy: 0.2976769661374669
Energy: 0.4636483559072136
Energy: 0.2976769661372171
Energy: 0.4636483559076856
Energy: 0.01032450389750153
Energy: 0.29767696613771677
Energy: 0.01032450389750153
Energy: 0.29767696613771677
Energy: 0.01032450389750153
Energy: 0.29767696613771677
Energy: 0.2976769661374669
Energy: 0.4636483559072136
Energy: 0.2976769661374669
Energy: 0.46364835590743575
Energy: 0.29767696613771677
Energy: 0.46364835590743575
Energy: 0.01032450389750153
Energy: 0.29767696613771677
Energy: 0.01032450389750153
Energy: 0.29767696613771677
Energy: 0.01032450389750153
Energy: 0.29767696613771677
Energy: 0.29767696613771677
Energy: 0.46364835590793546
Energy: 0.2976769661372171
Energy: 0.46364835590743575
Energy: 0.2976769661374669
Energy: 0.4636483559072136

minimum gb energy = 0.01032450389750153 eV
minimum distance =  2.53742464990308 Angstroms
sigma value = 1


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

Energy: 0.49264763338263745
Energy: 0.4539524841925698
Energy: 0.4926476333814346
Energy: 0.4539524841925698
Energy: 0.4926476333820361
Energy: 0.4539524841925698
Energy: 0.5004128452165416
Energy: 0.44007621963857735
Energy: 0.500412845217143
Energy: 0.44007621963857735
Energy: 0.5004128452165416
Energy: 0.44007621963857735
Energy: 0.4577903610457688
Energy: 0.48923994069103666
Energy: 0.45779036104637016
Energy: 0.48923994069043525
Energy: 0.45779036104637016
Energy: 0.48923994069043525
Energy: 0.5309176439323908
Energy: 0.445351538763529
Energy: 0.5309176439317894
Energy: 0.445351538763529
Energy: 0.5309176439329923
Energy: 0.445351538763529
Energy: 0.46752168460955396
Energy: 0.5083033582607623
Energy: 0.46752168460895244
Energy: 0.5083033582607623
Energy: 0.46752168460895244
Energy: 0.5083033582607623
Energy: 0.49363192796548905
Energy: 0.4439777817421293
Energy: 0.4936319279666919
Energy: 0.4439777817421293
Energy: 0.4936319279660905
Energy: 0.4439777817421293
Energy: 0.4660401204021302
Energy: 0.49020386114404013
Energy: 0.4660401204021302
Energy: 0.49020386114404013
Energy: 0.4660401204021302
Energy: 0.4902038611446416
Energy: 0.4565394292224718
Energy: 0.5150525140223203
Energy: 0.45653942922307333
Energy: 0.5150525140223203
Energy: 0.4565394292236747
Energy: 0.5150525140223203
Energy: 0.4962349771907951
Energy: 0.48655309168248745
Energy: 0.4962349771907951
Energy: 0.48655309168248745
Energy: 0.49623497719139653
Energy: 0.48655309168248745
Energy: 0.4313620424131467
Energy: 0.5073366437053926
Energy: 0.4313620424125453
Energy: 0.5073366437053926
Energy: 0.4313620424125453
Energy: 0.5073366437053926
Energy: 0.5692791243186824
Energy: 0.43537544358326413
Energy: 0.569279124318081
Energy: 0.43537544358326413
Energy: 0.569279124318081
Energy: 0.43537544358266267
Energy: 0.42140579748275037
Energy: 0.5550301122128034
Energy: 0.42140579748335183
Energy: 0.5550301122128034
Energy: 0.42140579748275037
Energy: 0.5550301122134049
Energy: 0.5034393241402904
Energy: 0.4245261392805308
Energy: 0.5034393241402904
Energy: 0.4245261392805308
Energy: 0.5034393241402904
Energy: 0.4245261392805308
Energy: 0.4458869797389672
Energy: 0.4624521448247369
Energy: 0.4458869797395687
Energy: 0.4624521448241354
Energy: 0.4458869797395687
Energy: 0.46245214482533825
Energy: 0.529022048000781
Energy: 0.43082849810874324
Energy: 0.529022048000781
Energy: 0.4308284981093447
Energy: 0.529022048000781
Energy: 0.43082849810874324
Energy: 0.5223500082521109
Energy: 0.4874847044200118
Energy: 0.5223500082527123
Energy: 0.4874847044200118
Energy: 0.5223500082521109
Energy: 0.4874847044200118
Energy: 0.4740791350661319
Energy: 0.47556027979292304
Energy: 0.4740791350661319
Energy: 0.47556027979292304
Energy: 0.4740791350655305
Energy: 0.47556027979292304
Energy: 0.4816359600209985
Energy: 0.4562596672666318
Energy: 0.4816359600228028
Energy: 0.4562596672666318
Energy: 0.4816359600216
Energy: 0.4562596672666318
Energy: 0.4315905333929912
Energy: 0.45165686915073344
Energy: 0.4315905333941941
Energy: 0.45165686915073344
Energy: 0.4315905333929912
Energy: 0.45165686915073344
Energy: 0.4909904592513186
Energy: 0.44398598140430967
Energy: 0.49099045925192003
Energy: 0.4439859814037083
Energy: 0.49099045925192003
Energy: 0.4439859814037083
Energy: 0.4419691620929548
Energy: 0.5698954676387773
Energy: 0.44196916209355613
Energy: 0.5698954676387773
Energy: 0.44196916209235326
Energy: 0.5698954676387773
Energy: 0.4832109092716873
Energy: 0.48150558749725236
Energy: 0.4832109092716873
Energy: 0.48150558749725236
Energy: 0.48321090927108584
Energy: 0.48150558749725236
Energy: 0.4319157101676606
Energy: 0.49938517580066855
Energy: 0.4319157101658563
Energy: 0.49938517580066855
Energy: 0.4319157101670591
Energy: 0.49938517580066855

minimum gb energy = 0.42140579748275037 eV
minimum distance =  2.66050765889712 Angstroms
sigma value = 33


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

Energy: 0.5149785670121546
Energy: 0.5000664139324937
Energy: 0.475201747758876
Energy: 0.5000664139314676
Energy: 0.5149785670155757
Energy: 0.5000664139311254
Energy: 0.5120133727271848
Energy: 0.4495071049163285
Energy: 0.5120133727275269
Energy: 0.44950710491222334
Energy: 0.5120133727275269
Energy: 0.4495071049129076
Energy: 0.45061384391272374
Energy: 0.4496408551919239
Energy: 0.45061384390896064
Energy: 0.4496408551932924
Energy: 0.45061384390827647
Energy: 0.44964085518918717
Energy: 0.5459357812710689
Energy: 0.48599438120896127
Energy: 0.5459357812707268
Energy: 0.4859943812075928
Energy: 0.5459357812700426
Energy: 0.48599438121101385
Energy: 0.4958932013704715
Energy: 0.4742483389028938
Energy: 0.4958932013684189
Energy: 0.4742483389028938
Energy: 0.495893201364998
Energy: 0.4742483389042622
Energy: 0.4454950641560847
Energy: 0.4481816834599356
Energy: 0.4454950641595057
Energy: 0.4482373695988102
Energy: 0.44549506415129536
Energy: 0.4481816834691722
Energy: 0.49825706377653906
Energy: 0.4852316802275331
Energy: 0.49825706377346024
Energy: 0.5090397814523363
Energy: 0.4982570637741444
Energy: 0.48523168022479635
Energy: 0.41864795047993747
Energy: 0.537974062810056
Energy: 0.4186479504772007
Energy: 0.5379740628151874
Energy: 0.4186479504823321
Energy: 0.5379740628145032
Energy: 0.4370992502748259
Energy: 0.44880768511848923
Energy: 0.43709925027551005
Energy: 0.4488076851147262
Energy: 0.4370992502775315
Energy: 0.44880768511951563
Energy: 0.4539957702154337
Energy: 0.5629690250162764
Energy: 0.45399525847223526
Energy: 0.5629690250128555
Energy: 0.4539957702178284
Energy: 0.5629690250149081
Energy: 0.5177665267663465
Energy: 0.4502362150073731
Energy: 0.5177665267632676
Energy: 0.45023621500703104
Energy: 0.5177665267704517
Energy: 0.4502362150128466
Energy: 0.4472280907250956
Energy: 0.48228532717955286
Energy: 0.4472255256735009
Energy: 0.4822853271778424
Energy: 0.44722809072543773
Energy: 0.48228532717989503
Energy: 0.48507909563982793
Energy: 0.45123994646045734
Energy: 0.48507909563674906
Energy: 0.4512399464607994
Energy: 0.48507909563777535
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Energy: 0.48407791153072155
Energy: 0.4828434872828341
Energy: 0.4840779115296953
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Energy: 0.4840779115334583
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Energy: 0.5144807077547356
Energy: 0.4681238435103244
Energy: 0.5144807077550777
Energy: 0.4681238435120349
Energy: 0.5144807077567881
Energy: 0.46812384350656133
Energy: 0.4468602787357888
Energy: 0.4506643126979459
Energy: 0.44686027873815237
Energy: 0.45066431269691964
Energy: 0.4468602787391787
Energy: 0.45066431270307733
Energy: 0.5497578936405908
Energy: 0.48535812205125867
Energy: 0.5497578936453802
Energy: 0.4853581220580695
Energy: 0.5497578936457223
Energy: 0.48535812205943785
Energy: 0.49424067550224426
Energy: 0.4471727602920513
Energy: 0.49424067550600737
Energy: 0.44720044091523137
Energy: 0.4942406755042969
Energy: 0.447172760287604
Energy: 0.4504888870855594
Energy: 0.4608170220287726
Energy: 0.45048888708795404
Energy: 0.46823848029681675
Energy: 0.4504888870876119
Energy: 0.4608170220352724
Energy: 0.4995951797688594
Energy: 0.49518030912331484
Energy: 0.499595179770912
Energy: 0.4753345859414314
Energy: 0.49959517977125417
Energy: 0.4951803091291305
Energy: 0.41930409654044
Energy: 0.5366686172112214
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Energy: 0.5366686172078005
Energy: 0.49267759927741267
Energy: 0.44835240442067237
Energy: 0.49267759928185983
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Energy: 0.49267759928185983
Energy: 0.4483524044141725
Energy: 0.45188121638901324
Energy: 0.5627094991204558
Energy: 0.45206591996516826
Energy: 0.5627094991194295
Energy: 0.4518812163828555
Energy: 0.562709499125245
Energy: 0.5165662634385947
Energy: 0.4941500515960667
Energy: 0.5165662634372263
Energy: 0.49415005160325065
Energy: 0.5165662634426998
Energy: 0.4941500516018823
Energy: 0.4504563095687546
Energy: 0.44057263365706417
Energy: 0.45053791509645746
Energy: 0.44057263365535365
Energy: 0.45045630957183347
Energy: 0.44057263365364313
Energy: 0.5480491190153894
Energy: 0.49909471408727535
Energy: 0.5012934447004339
Energy: 0.49909471408624895
Energy: 0.5480491190123105
Energy: 0.49909471409035416
Energy: 0.5365131658636524
Energy: 0.4966682966395963
Energy: 0.5010574321308887
Energy: 0.49666829664233303
Energy: 0.5365131658687838
Energy: 0.4966682966437014
Energy: 0.4473561906946214
Energy: 0.44871783626325284
Energy: 0.4473561906997528
Energy: 0.4487178362646212
Energy: 0.44735619070180543
Energy: 0.44871783625948974
Energy: 0.5618585178402434
Energy: 0.4497635701120174
Energy: 0.5618585178443487
Energy: 0.44976357011304374
Energy: 0.5618585178422961
Energy: 0.4497635701127016
Energy: 0.4521556446429199
Energy: 0.5163515149821851
Energy: 0.4521556446470251
Energy: 0.5163515149801637
Energy: 0.4521556446477093
Energy: 0.5163515149805058
Energy: 0.49383569517814085
Energy: 0.44883900856274866
Energy: 0.49383569517677256
Energy: 0.44880494463820203
Energy: 0.4938356951795093
Energy: 0.4488390085617223
Energy: 0.44984126744491326
Energy: 0.4841565727731024
Energy: 0.44984126744012387
Energy: 0.5081663344476159
Energy: 0.44984126744559744
Energy: 0.4841565727696815
Energy: 0.5021249201179071
Energy: 0.47533234795575446
Energy: 0.5021249201124336
Energy: 0.49514393747036745
Energy: 0.502124920117565
Energy: 0.47533234795335977
Energy: 0.4647850107923988
Energy: 0.49456725435716503
Energy: 0.4647850107917146
Energy: 0.4945672543612702
Energy: 0.4647850107917146
Energy: 0.4945672543602439
Energy: 0.44942306337409466
Energy: 0.4479565723642085
Energy: 0.4494230633730684
Energy: 0.44795657236626113
Energy: 0.44942306337785776
Energy: 0.44795657236386643
Energy: 0.48554201177034373
Energy: 0.5458511993532192
Energy: 0.4855420117706858
Energy: 0.5458511993552718
Energy: 0.48554201176418593
Energy: 0.5458511993494561
Energy: 0.4474960535622954
Energy: 0.4979256237448635
Energy: 0.4474963773526981
Energy: 0.4979256237479424
Energy: 0.4474960535622954
Energy: 0.49792562374623195
Energy: 0.46836980517286636
Energy: 0.44825147825545686
Energy: 0.46836980517560317
Energy: 0.4482514782540885
Energy: 0.46836980517286636
Energy: 0.44825147825750944
Energy: 0.4838305265436557
Energy: 0.5008324916388581
Energy: 0.4838305265405769
Energy: 0.5008324916364634
Energy: 0.4838305265374979
Energy: 0.5008324916385161
Energy: 0.539987253309031
Energy: 0.4191186498064105
Energy: 0.5399872533110835
Energy: 0.41911864980743685
Energy: 0.5399872533083467
Energy: 0.4191186498060684
Energy: 0.4473285052192329
Energy: 0.4360777695755445
Energy: 0.4473285052185487
Energy: 0.4360777695704131
Energy: 0.44732850521889084
Energy: 0.43607776958101807

minimum gb energy = 0.4186479504772007 eV
minimum distance =  2.67506136487966 Angstroms
sigma value = 51


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

Energy: 0.47537027139785787
Energy: 0.4655210632139972
Energy: 0.47537027139785787
Energy: 0.4655210632132046
Energy: 0.4753702713986505
Energy: 0.4655210632132046
Energy: 0.4928269049612002
Energy: 0.4496056894248686
Energy: 0.4928269049612002
Energy: 0.4496056894248686
Energy: 0.4928269049612002
Energy: 0.4496056894248686
Energy: 0.4542690825712478
Energy: 0.5622551585536564
Energy: 0.4542690825704552
Energy: 0.5622551585536564
Energy: 0.4542690825704552
Energy: 0.5622551585536564
Energy: 0.47043891338293736
Energy: 0.41629312909452876
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Energy: 0.41629312909452876
Energy: 0.4704389133821448
Energy: 0.41629312909452876
Energy: 0.47526767813668785
Energy: 0.45835982552054794
Energy: 0.47526767813748044
Energy: 0.4583598255221332
Energy: 0.47526767813748044
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Energy: 0.4862798734737615
Energy: 0.45831015264984926
Energy: 0.4862798734729689
Energy: 0.45831015264984926
Energy: 0.4862798734729689
Energy: 0.45831015264984926
Energy: 0.49186392449072813
Energy: 0.46029344437127845
Energy: 0.49186392449072813
Energy: 0.46029344437127845
Energy: 0.49186392449072813
Energy: 0.46029344437127845
Energy: 0.4404367793345606
Energy: 0.4582317344797635
Energy: 0.44043677933535325
Energy: 0.45823173447897086
Energy: 0.4404367793345606
Energy: 0.4582317344797635
Energy: 0.5323498810421344
Energy: 0.41464323542476517
Energy: 0.5323498810405491
Energy: 0.41464323542476517
Energy: 0.5323498810405491
Energy: 0.41464323542476517
Energy: 0.42826970537760795
Energy: 0.5582478596194278
Energy: 0.42826970537760795
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Energy: 0.42826970537760795
Energy: 0.5582478596194278
Energy: 0.523705479364516
Energy: 0.42555816729810725
Energy: 0.523705479364516
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Energy: 0.523705479364516
Energy: 0.42555816729810725
Energy: 0.47726556393622127
Energy: 0.4691122651334759
Energy: 0.47726556393701386
Energy: 0.4691122651334759
Energy: 0.47726556393622127
Energy: 0.4691122651334759
Energy: 0.519511380208792
Energy: 0.44783317660784655
Energy: 0.519511380208792
Energy: 0.44783317660784655
Energy: 0.519511380208792
Energy: 0.44783317660784655
Energy: 0.45265561312907904
Energy: 0.4459569043888094
Energy: 0.4526556131298716
Energy: 0.4459569043903947
Energy: 0.45265561312907904
Energy: 0.4459569043903947
Energy: 0.47501932677137465
Energy: 0.4741695434813367
Energy: 0.47501932677058206
Energy: 0.4741695434813367
Energy: 0.47501932677058206
Energy: 0.4741695434813367
Energy: 0.49282585405847507
Energy: 0.45803182440067397
Energy: 0.49282585405847507
Energy: 0.4580318244014666
Energy: 0.49282585405847507
Energy: 0.4580318243998813
Energy: 0.47291201213006856
Energy: 0.5162481214011064
Energy: 0.4729120121316538
Energy: 0.5162481214011064
Energy: 0.4729120121324465
Energy: 0.5162481214011064
Energy: 0.4653928581361668
Energy: 0.4582597881522734
Energy: 0.4653928581361668
Energy: 0.4582597881522734
Energy: 0.4653928581361668
Energy: 0.4582597881522734

minimum gb energy = 0.41464323542476517 eV
minimum distance =  2.5424985177416 Angstroms
sigma value = 19


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

Energy: 0.40701853587935605
Energy: 0.4065972920966297
Energy: 0.40701853587935605
Energy: 0.40659729209568923
Energy: 0.40701853587935605
Energy: 0.40659729209568923
Energy: 0.4392086070015816
Energy: 0.4626547724965753
Energy: 0.43920860700252196
Energy: 0.46265477249610504
Energy: 0.4392086070001711
Energy: 0.4626547724970454
Energy: 0.38185842010907417
Energy: 0.4697037151675404
Energy: 0.38185842010954435
Energy: 0.4697037151675404
Energy: 0.3818584201109548
Energy: 0.46970371516895093
Energy: 0.4180291519294916
Energy: 0.38188837181356233
Energy: 0.4180291519285513
Energy: 0.38188837181450264
Energy: 0.4180291519294916
Energy: 0.3818883718116816
Energy: 0.3953992412716672
Energy: 0.4063370345651622
Energy: 0.39539924127119697
Energy: 0.4063370345637517
Energy: 0.3953992412721374
Energy: 0.4063370345642219
Energy: 0.39536661635401976
Energy: 0.4069377956249759
Energy: 0.39536661635543024
Energy: 0.4069377956273267
Energy: 0.39536661635590037
Energy: 0.40693779562685656
Energy: 0.4180348052893618
Energy: 0.3818772035755481
Energy: 0.4180348052893618
Energy: 0.38187720357366745
Energy: 0.4180348052888917
Energy: 0.3818772035746078
Energy: 0.38184279066263377
Energy: 0.46968013790779534
Energy: 0.3818427906635741
Energy: 0.4696801379120268
Energy: 0.3818427906640443
Energy: 0.4696801379101461
Energy: 0.439176781043296
Energy: 0.4626302680521607
Energy: 0.4391767810404749
Energy: 0.46263026805122026
Energy: 0.43917678104282576
Energy: 0.46263026805169044
Energy: 0.4070185358788858
Energy: 0.40659729209709977
Energy: 0.40701853587935605
Energy: 0.40659729209709977
Energy: 0.40701853587935605
Energy: 0.40659729209757
Energy: 0.4392086070015816
Energy: 0.4626547724975156
Energy: 0.43920860700299214
Energy: 0.46265477249610504
Energy: 0.4392086070006413
Energy: 0.4626547724970454
Energy: 0.38185842011048465
Energy: 0.4697037151713017
Energy: 0.38185842010813387
Energy: 0.46970371516377907
Energy: 0.38185842010813387
Energy: 0.46970371516989123
Energy: 0.4180291519309021
Energy: 0.3818883718130921
Energy: 0.4180291519304319
Energy: 0.3818883718130921
Energy: 0.4180291519309021
Energy: 0.3818883718140325
Energy: 0.3953992412735478
Energy: 0.4063370345642219
Energy: 0.3953992412707269
Energy: 0.406337034564692
Energy: 0.3953992412730777
Energy: 0.4063370345656323
Energy: 0.39536661635496007
Energy: 0.40693779562685656
Energy: 0.39536661635778103
Energy: 0.4069377956263864
Energy: 0.39536661635496007
Energy: 0.406937795625446
Energy: 0.4180348052893618
Energy: 0.38187720357366745
Energy: 0.4180348052893618
Energy: 0.3818772035727271
Energy: 0.4180348052888917
Energy: 0.3818772035746078
Energy: 0.3818427906640443
Energy: 0.4696801379139075
Energy: 0.3818427906640443
Energy: 0.4696801379129671
Energy: 0.38184279066451443
Energy: 0.4696801379129671
Energy: 0.4391767810414152
Energy: 0.46263026805169044
Energy: 0.4391767810470573
Energy: 0.46263026805169044
Energy: 0.43917678104846775
Energy: 0.4626302680521607
Energy: 0.4070185358788858
Energy: 0.4065972920966297
Energy: 0.40701853587935605
Energy: 0.40659729209757
Energy: 0.4070185358788858
Energy: 0.4065972920966297
Energy: 0.43920860700346226
Energy: 0.4626547724970454
Energy: 0.4392086070006413
Energy: 0.4626547724965753
Energy: 0.4392086070011115
Energy: 0.4626547724965753
Energy: 0.381858420111425
Energy: 0.469703715169421
Energy: 0.38185842011048465
Energy: 0.4697037151717719
Energy: 0.3818584201109548
Energy: 0.46970371516895093
Energy: 0.4180291519318424
Energy: 0.3818883718140325
Energy: 0.4180291519304319
Energy: 0.3818883718121518
Energy: 0.4180291519313723
Energy: 0.3818883718130921
Energy: 0.3953992412730777
Energy: 0.406337034564692
Energy: 0.3953992412735478
Energy: 0.4063370345642219
Energy: 0.395399241274018
Energy: 0.4063370345642219
Energy: 0.3953666163544899
Energy: 0.4069377956263864
Energy: 0.3953666163535496
Energy: 0.40693779562779686
Energy: 0.39536661635543024
Energy: 0.406937795628267
Energy: 0.4180348052888917
Energy: 0.38187720357366745
Energy: 0.4180348052888917
Energy: 0.3818772035746078
Energy: 0.4180348052884215
Energy: 0.38187720357366745
Energy: 0.38184279066263377
Energy: 0.46968013791155666
Energy: 0.38184279066216364
Energy: 0.4696801379139075
Energy: 0.381842790663104
Energy: 0.46968013791155666
Energy: 0.4391767810451766
Energy: 0.46263026805075014
Energy: 0.4391767810451766
Energy: 0.46263026805122026
Energy: 0.43917678104376606
Energy: 0.46263026805169044
Energy: 0.4070185358798261
Energy: 0.4065972920966297
Energy: 0.4070185358798261
Energy: 0.40659729209568923
Energy: 0.4070185358798261
Energy: 0.4065972920966297
Energy: 0.4392086069982905
Energy: 0.46265477249610504
Energy: 0.4392086070015816
Energy: 0.4626547724965753
Energy: 0.43920860700205183
Energy: 0.4626547724970454
Energy: 0.38185842010907417
Energy: 0.46970371517083154
Energy: 0.381858420111425
Energy: 0.469703715169421
Energy: 0.38185842010907417
Energy: 0.4697037151684807

minimum gb energy = 0.38184279066216364 eV
minimum distance =  2.55983167840021 Angstroms
sigma value = 27


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

Energy: 0.3848675841769308
Energy: 0.37193828942335266
Energy: 0.3848675841769308
Energy: 0.37193828942335266
Energy: 0.3848675841769308
Energy: 0.37193828942335266
Energy: 0.4738380792743785
Energy: 0.3963625866052134
Energy: 0.4738380792755301
Energy: 0.39636258660636503
Energy: 0.4738380792755301
Energy: 0.3963625866052134
Energy: 0.4021157162109204
Energy: 0.4508090522645384
Energy: 0.4021157162097687
Energy: 0.4508090522645384
Energy: 0.4021157162109204
Energy: 0.4508090522645384
Energy: 0.45132432078642926
Energy: 0.3738664395133682
Energy: 0.45132432078642926
Energy: 0.3738664395133682
Energy: 0.45132432078642926
Energy: 0.3738664395133682
Energy: 0.465776705644252
Energy: 0.36962547173545796
Energy: 0.465776705644252
Energy: 0.36962547173545796
Energy: 0.465776705644252
Energy: 0.36962547173545796
Energy: 0.44778153452861325
Energy: 0.4769079612569044
Energy: 0.44778153452861325
Energy: 0.4769079612569044
Energy: 0.44778153452861325
Energy: 0.4769079612569044
Energy: 0.4421764379832421
Energy: 0.3964288135225993
Energy: 0.4421764379820904
Energy: 0.3964288135225993
Energy: 0.3675369159805091
Energy: 0.3964288135225993
Energy: 0.38587331081641774
Energy: 0.3741686572540967
Energy: 0.38587331081641774
Energy: 0.3741686572540967
Energy: 0.38587331081641774
Energy: 0.3741686572540967
Energy: 0.4146004381626962
Energy: 0.40237518697598035
Energy: 0.4146004381626962
Energy: 0.40237518697482866
Energy: 0.4146004381626962
Energy: 0.40237518697482866
Energy: 0.44695793556770996
Energy: 0.44031284514791624
Energy: 0.4469579355665582
Energy: 0.44031284514676455
Energy: 0.4469579355665582
Energy: 0.44031284514791624
Energy: 0.41673392999111125
Energy: 0.36822303094675496
Energy: 0.41673392999111125
Energy: 0.36822303094675496
Energy: 0.41673392999111125
Energy: 0.36822303094675496
Energy: 0.4680417107397482
Energy: 0.4137252093156017
Energy: 0.4680417107397482
Energy: 0.41372520931675333
Energy: 0.4680417107397482
Energy: 0.41372520931675333

minimum gb energy = 0.3675369159805091 eV
minimum distance =  2.52094695053056 Angstroms
sigma value = 9


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

Energy: 0.3907756158817394
Energy: 0.39288576431472483
Energy: 0.39077561588238663
Energy: 0.3928857643144012
Energy: 0.39077561588012144
Energy: 0.3928857643144012
Energy: 0.5129542727013806
Energy: 0.3920716386619271
Energy: 0.5129542727004098
Energy: 0.3774949087264608
Energy: 0.5129542727007333
Energy: 0.3774949087267844
Energy: 0.35307867906695967
Energy: 0.5147482723377408
Energy: 0.3530786790685776
Energy: 0.5147482723374172
Energy: 0.3530786790682541
Energy: 0.5147482723377408
Energy: 0.3559544590700616
Energy: 0.3458223210505003
Energy: 0.355954459069738
Energy: 0.3458223210505003
Energy: 0.35595445907038525
Energy: 0.3458223210505003
Energy: 0.40718225887092147
Energy: 0.38096896846778455
Energy: 0.40718225887092147
Energy: 0.38096896846778455
Energy: 0.40718225886930354
Energy: 0.38096896846810807
Energy: 0.3942382965343626
Energy: 0.39630738318545145
Energy: 0.39423829653630416
Energy: 0.3875014533465877
Energy: 0.39423829653533343
Energy: 0.3875014533459405
Energy: 0.3599516836118216
Energy: 0.4259806575430989
Energy: 0.3599516836118216
Energy: 0.42598065754277525
Energy: 0.359951683613116
Energy: 0.4259806575430989
Energy: 0.33243382544615496
Energy: 0.4284646300262185
Energy: 0.3324338254471257
Energy: 0.4284646300262185
Energy: 0.33243382544615496
Energy: 0.4284646300262185
Energy: 0.4885787633133986
Energy: 0.3809672956526799
Energy: 0.4885787633137222
Energy: 0.3809672956526799
Energy: 0.48857876331404576
Energy: 0.3809672956526799
Energy: 0.4028769323901457
Energy: 0.4584979048688919
Energy: 0.40287693238885136
Energy: 0.4584979048734222
Energy: 0.40287693238852773
Energy: 0.4584979048727749
Energy: 0.35591185248345236
Energy: 0.3422607917383567
Energy: 0.35591185248312873
Energy: 0.3422607917380331
Energy: 0.35591185248345236
Energy: 0.3422607917380331
Energy: 0.37787322349878755
Energy: 0.36941389667105073
Energy: 0.3778732234971696
Energy: 0.36941389667105073
Energy: 0.3778732234984639
Energy: 0.3694138966716979
Energy: 0.3748308212845639
Energy: 0.3794328624162654
Energy: 0.3748308212845639
Energy: 0.37943286241658897
Energy: 0.37483082128585826
Energy: 0.3794328624162654
Energy: 0.39101452147283366
Energy: 0.3932742602405284
Energy: 0.391014521474128
Energy: 0.39327426024085194
Energy: 0.39101452147445165
Energy: 0.3932742602405284
Energy: 0.35025025880446187
Energy: 0.4236718445163181
Energy: 0.35025025880446187
Energy: 0.4236718445163181
Energy: 0.3502502588034911
Energy: 0.4236718445163181
Energy: 0.35629249464532253
Energy: 0.3781458364116852
Energy: 0.3562924946446754
Energy: 0.37814583641200883
Energy: 0.35629249464532253
Energy: 0.3781458364116852
Energy: 0.44992721933138513
Energy: 0.4366283902183654
Energy: 0.4499272193330031
Energy: 0.43662839021707095
Energy: 0.4499272193310616
Energy: 0.4366283902180418
Energy: 0.3565095816337442
Energy: 0.3796157312062153
Energy: 0.3565095816327734
Energy: 0.3796157312062153
Energy: 0.35650958163309704
Energy: 0.3796157312062153
Energy: 0.3316305608781163
Energy: 0.47800404532066965
Energy: 0.33163056087908704
Energy: 0.47800404532066965
Energy: 0.33163056087973425
Energy: 0.47800404532066965
Energy: 0.5052290704282563
Energy: 0.389248038332591
Energy: 0.5052290704279326
Energy: 0.38924803833323823
Energy: 0.505229070427609
Energy: 0.389248038332591
Energy: 0.3316540591439368
Energy: 0.47804811666055447
Energy: 0.33165405914458396
Energy: 0.47804811666023084
Energy: 0.3316540591442604
Energy: 0.47804811666023084
Energy: 0.3565100074249549
Energy: 0.3796123512543328
Energy: 0.3565100074246313
Energy: 0.37961235125400916
Energy: 0.35651000742430766
Energy: 0.3796123512543328
Energy: 0.4500037831615342
Energy: 0.43676345883179146
Energy: 0.4500037831612106
Energy: 0.4367634588308207
Energy: 0.450003783160887
Energy: 0.43676345883179146
Energy: 0.35629550330561
Energy: 0.359251378167953
Energy: 0.35629550330528637
Energy: 0.35925137816860014
Energy: 0.35629550330561
Energy: 0.35925137816860014
Energy: 0.3502520061040287
Energy: 0.42362383650533214
Energy: 0.3502520061053231
Energy: 0.42362383650533214
Energy: 0.35025200610467594
Energy: 0.42362383650565577
Energy: 0.39103035863072505
Energy: 0.3932406712927762
Energy: 0.3910303586287835
Energy: 0.3932406712930998
Energy: 0.39103035862975427
Energy: 0.3932406712927762
Energy: 0.3747963236342154
Energy: 0.37932360106304275
Energy: 0.3747963236351862
Energy: 0.37932360106304275
Energy: 0.37479632363356824
Energy: 0.37932360106304275
Energy: 0.3780692003601826
Energy: 0.36925515836314854
Energy: 0.378069200359859
Energy: 0.3694402590757897
Energy: 0.37806920036050623
Energy: 0.36925515836347217
Energy: 0.35588645753059
Energy: 0.34220866198603783
Energy: 0.35588645753220793
Energy: 0.34220866198603783
Energy: 0.35588645753059
Energy: 0.34220866198636146
Energy: 0.40289110734363565
Energy: 0.5403092990034899
Energy: 0.40289110734363565
Energy: 0.5403092990034899
Energy: 0.4028911073426648
Energy: 0.5403092990038135
Energy: 0.4887015184001124
Energy: 0.38077663580812743
Energy: 0.4887015184007595
Energy: 0.38077663580812743
Energy: 0.4887015183981708
Energy: 0.38077663580812743
Energy: 0.3324291750867356
Energy: 0.42832398943419187
Energy: 0.3324291750886772
Energy: 0.4283239894345155
Energy: 0.33242917508803
Energy: 0.4283239894345155
Energy: 0.35999530893401477
Energy: 0.4294705677137018
Energy: 0.35999530893369114
Energy: 0.4294705677137018
Energy: 0.3599953089349855
Energy: 0.4294705677137018
Energy: 0.39418591047411705
Energy: 0.4537015934549372
Energy: 0.39418591047185186
Energy: 0.4537015934539665
Energy: 0.3941859104731463
Energy: 0.4537015934549372
Energy: 0.40713145255117933
Energy: 0.38094046256268466
Energy: 0.4071314525502085
Energy: 0.3809404625630083
Energy: 0.40713145255053207
Energy: 0.38094046256268466
Energy: 0.3559797183363601
Energy: 0.3458260518065059
Energy: 0.3559797183366837
Energy: 0.3458260518065059
Energy: 0.3559797183370073
Energy: 0.3458260518061823
Energy: 0.3530467024725872
Energy: 0.5142721415882002
Energy: 0.3530467024738816
Energy: 0.5142721415872294
Energy: 0.3530467024732344
Energy: 0.5142721415878766
Energy: 0.5121433882750269
Energy: 0.4097330426401976
Energy: 0.5121433882759978
Energy: 0.4097330426408447
Energy: 0.512143388273409
Energy: 0.4097330426401976
Energy: 0.39077561588076865
Energy: 0.3928857643134304
Energy: 0.390775615880445
Energy: 0.39288576431310684
Energy: 0.39077561588076865
Energy: 0.39288576431310684
Energy: 0.5129542726981448
Energy: 0.3777400974431059
Energy: 0.5129542726981448
Energy: 0.3777400974434295
Energy: 0.5129542726981448
Energy: 0.3912683796595986
Energy: 0.35307867906728324
Energy: 0.5147482723403295
Energy: 0.3530786790682541
Energy: 0.5147482723400059
Energy: 0.3530786790682541
Energy: 0.5147482723406531
Energy: 0.355954459071356
Energy: 0.34582232105147115
Energy: 0.3559544590710324
Energy: 0.3458223210511475
Energy: 0.3559544590716796
Energy: 0.34582232105147115
Energy: 0.4071822588715687
Energy: 0.38096896846810807
Energy: 0.4071822588712451
Energy: 0.3809689684684317
Energy: 0.4071822588705979
Energy: 0.3809689684684317

minimum gb energy = 0.3316305608781163 eV
minimum distance =  2.60050294867471 Angstroms
sigma value = 57


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

Energy: 0.16225885228944353
Energy: 0.16746925612451422
Energy: 0.1622588522901801
Energy: 0.16746925612304098
Energy: 0.1622588522901801
Energy: 0.1674692561237776
Energy: 0.23700702089752312
Energy: 0.24552253520963538
Energy: 0.23700702089752312
Energy: 0.2455225352015327
Energy: 0.23700702089752312
Energy: 0.24552253520009293
Energy: 0.19197125741948073
Energy: 0.2180356042554551
Energy: 0.19197125742095394
Energy: 0.2180356042554551
Energy: 0.19197125741948073
Energy: 0.21803560425324525
Energy: 0.16892533801076004
Energy: 0.1623678761165502
Energy: 0.16892533800413057
Energy: 0.1623678761165502
Energy: 0.1689253380004475
Energy: 0.1623678761136038
Energy: 0.23810553762345016
Energy: 0.23626569498924962
Energy: 0.23810553762345016
Energy: 0.23626569498924962
Energy: 0.23810553762418676
Energy: 0.23626569498924962
Energy: 0.1624182817795301
Energy: 0.19588129468755885
Energy: 0.16241828177658363
Energy: 0.19588129468755885
Energy: 0.16241828177805687
Energy: 0.19588129468755885
Energy: 0.16241663753154534
Energy: 0.1958378539244989
Energy: 0.1624166375234426
Energy: 0.1958378539244989
Energy: 0.16241663752417923
Energy: 0.1958378539244989
Energy: 0.23930685927068857
Energy: 0.23628008528057792
Energy: 0.23930685927142517
Energy: 0.23628008528057792
Energy: 0.23930685927142517
Energy: 0.23628008527984132
Energy: 0.16892191078866295
Energy: 0.16236589033911203
Energy: 0.1689219107783504
Energy: 0.16236589033984863
Energy: 0.1689219107857165
Energy: 0.1623658903420585
Energy: 0.19199316116241047
Energy: 0.2179504124170376
Energy: 0.19199316116241047
Energy: 0.21795041241777421
Energy: 0.19199316116241047
Energy: 0.21795041241777421
Energy: 0.23824550702567177
Energy: 0.24545358652762084
Energy: 0.23824550702567177
Energy: 0.24545358652688426
Energy: 0.23824550702567177
Energy: 0.24545358652614765
Energy: 0.1622588522901801
Energy: 0.16746925612304098
Energy: 0.16225885229091674
Energy: 0.1674692561223044
Energy: 0.16225885228944353
Energy: 0.16746925612304098
Energy: 0.23700702089752312
Energy: 0.2455225352037425
Energy: 0.23700702089752312
Energy: 0.24552253519935632
Energy: 0.23700702089752312
Energy: 0.24552253520300588
Energy: 0.19197125741948073
Energy: 0.2180356042569283
Energy: 0.19197125741948073
Energy: 0.2180356042547185
Energy: 0.19197125742169058
Energy: 0.2180356042547185
Energy: 0.16892533800118414
Energy: 0.1623678761172868
Energy: 0.1689253379989743
Energy: 0.16236787611139397
Energy: 0.1689253380048672
Energy: 0.1623678761165502
Energy: 0.2381055376197671
Energy: 0.23626569498924962
Energy: 0.23810553762639658
Energy: 0.23626569498924962
Energy: 0.23810553762197695
Energy: 0.23626569498924962
Energy: 0.16241828177805687
Energy: 0.19588129468755885
Energy: 0.16241828177511042
Energy: 0.19588129468755885
Energy: 0.1624182817736372
Energy: 0.19588129468755885
Energy: 0.16241663752123278
Energy: 0.1958378539244989
Energy: 0.16241663752123278
Energy: 0.1958378539244989
Energy: 0.16241663752491586
Energy: 0.1958378539244989
Energy: 0.23930685927068857
Energy: 0.23628008528057792
Energy: 0.23930685927068857
Energy: 0.23628008528057792
Energy: 0.23930685927068857
Energy: 0.23628008528057792

minimum gb energy = 0.16225885228944353 eV
minimum distance =  2.79663411591298 Angstroms
sigma value = 11


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

Energy: 0.3591223033505057
Energy: 0.3824947357201427
Energy: 0.3591223033510452
Energy: 0.38249473572068227
Energy: 0.3591223033494265
Energy: 0.38249473572068227
Energy: 0.41822160897033256
Energy: 0.36934959420380475
Energy: 0.41822160897087207
Energy: 0.36934959420380475
Energy: 0.4182216089714117
Energy: 0.3693495942043443
Energy: 0.43229918514600957
Energy: 0.5022311558322667
Energy: 0.4120802519949279
Energy: 0.5022311558322667
Energy: 0.41208025199546755
Energy: 0.5022311558322667
Energy: 0.44220749299928463
Energy: 0.3495086884658411
Energy: 0.44220749299874507
Energy: 0.3495086884658411
Energy: 0.44220749299820544
Energy: 0.3495086884658411
Energy: 0.37385296317100025
Energy: 0.32105992718320525
Energy: 0.3738529631715398
Energy: 0.32105992718320525
Energy: 0.3738529631715398
Energy: 0.32105992718374493
Energy: 0.38255221634723025
Energy: 0.39786304153703894
Energy: 0.3825522163456115
Energy: 0.39786304153703894
Energy: 0.38255221634723025
Energy: 0.39786304153703894
Energy: 0.34399371761393
Energy: 0.4361603938263505
Energy: 0.34399371761393
Energy: 0.4361603938273807
Energy: 0.3439937176144697
Energy: 0.4361603938263505
Energy: 0.41532995983710763
Energy: 0.31032913124030703
Energy: 0.4153299598376472
Energy: 0.31032913124030703
Energy: 0.4153299598376472
Energy: 0.31032913124030703
Energy: 0.3816613830833337
Energy: 0.309089430891022
Energy: 0.3816613830838733
Energy: 0.309089430891022
Energy: 0.3816613830833337
Energy: 0.309089430891022
Energy: 0.31741815524264366
Energy: 0.4492185099472294
Energy: 0.3174181552442624
Energy: 0.44921850994776896
Energy: 0.31741815524264366
Energy: 0.44921850994776896
Energy: 0.4265992500283431
Energy: 0.45941865487144395
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Energy: 0.42659925002888266
Energy: 0.45941865487144395
Energy: 0.3686341867937618
Energy: 0.33066102134053055
Energy: 0.3686341867943014
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Energy: 0.368634186794841
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Energy: 0.3902473300992171
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Energy: 0.3902473300975984
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Energy: 0.39024733009867746
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Energy: 0.4286123412970705
Energy: 0.4883641028687561
Energy: 0.4286123412959914
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Energy: 0.4286123412965309
Energy: 0.4883641028687561
Energy: 0.42081014109605036
Energy: 0.37181150498276005
Energy: 0.4208101410949712
Energy: 0.37181150498222043
Energy: 0.42081014109658993
Energy: 0.37181150498276005
Energy: 0.35946903737866776
Energy: 0.38306630992066626
Energy: 0.3594690373797469
Energy: 0.3830663099212059
Energy: 0.35946903737812813
Energy: 0.3830663099212059
Energy: 0.34013760892277833
Energy: 0.36814839408998384
Energy: 0.34013760892277833
Energy: 0.36814839408998384
Energy: 0.34013760892331785
Energy: 0.36814839408998384
Energy: 0.46403031540110523
Energy: 0.5003193242341328
Energy: 0.46403031540110523
Energy: 0.5003193242341328
Energy: 0.46403031540110523
Energy: 0.5003193242341328
Energy: 0.4414777752426505
Energy: 0.34852854294600333
Energy: 0.44147777524157134
Energy: 0.34852854294600333
Energy: 0.4414777752426505
Energy: 0.34852854294600333
Energy: 0.374585402205455
Energy: 0.35288660874298705
Energy: 0.37458540220383624
Energy: 0.35288660874298705
Energy: 0.37458540220383624
Energy: 0.3528866087424475
Energy: 0.3182407169782548
Energy: 0.39781656102513047
Energy: 0.3182407169787944
Energy: 0.39781656102513047
Energy: 0.3182407169782548
Energy: 0.39781656102513047
Energy: 0.3845723249620312
Energy: 0.42287142320862325
Energy: 0.3845723249614916
Energy: 0.42287142320808363
Energy: 0.3845723249614916
Energy: 0.42287142320862325
Energy: 0.4097449154792269
Energy: 0.36985602805452206
Energy: 0.40974491547976655
Energy: 0.3698560280550617
Energy: 0.4097449154792269
Energy: 0.36985602805452206
Energy: 0.381709999392857
Energy: 0.34535520043487866
Energy: 0.38170999939393613
Energy: 0.34535520043487866
Energy: 0.3817099993933966
Energy: 0.34535520043487866
Energy: 0.3181123806793132
Energy: 0.4467960287108099
Energy: 0.3181123806787736
Energy: 0.4467960287102704
Energy: 0.3181123806793132
Energy: 0.4467960287108099
Energy: 0.5144165192338832
Energy: 0.46179552526148987
Energy: 0.5144165192344229
Energy: 0.46179552526148987
Energy: 0.5144165192344229
Energy: 0.46179552526148987

minimum gb energy = 0.309089430891022 eV
minimum distance =  2.62613154769616 Angstroms
sigma value = 41


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

Energy: 0.4316613611171337
Energy: 0.37254957055524035
Energy: 0.39641099175654837
Energy: 0.37254957055694143
Energy: 0.43166136111883485
Energy: 0.3725495705573668
Energy: 0.4492483699352934
Energy: 0.4471009817656837
Energy: 0.44924836993359224
Energy: 0.4471009817622814
Energy: 0.44924836993274164
Energy: 0.4471009817622814
Energy: 0.5066290109744894
Energy: 0.5574940225509741
Energy: 0.5066290109736389
Energy: 0.5574940225522499
Energy: 0.5066290109715125
Energy: 0.5574940225522499
Energy: 0.4488302408447144
Energy: 0.36887739926163066
Energy: 0.44883024084386386
Energy: 0.3688773992620559
Energy: 0.4488302408421628
Energy: 0.3688773992620559
Energy: 0.3570094895179324
Energy: 0.39586313448734484
Energy: 0.35701223752761346
Energy: 0.3958631344869196
Energy: 0.357009489518783
Energy: 0.3958631344869196
Energy: 0.44605914614709985
Energy: 0.48166479872292783
Energy: 0.44605914614539877
Energy: 0.48166479872420376
Energy: 0.4460591461436976
Energy: 0.4816647987237785
Energy: 0.3865937950842328
Energy: 0.4739970746205931
Energy: 0.38659379508678443
Energy: 0.47399707462186885
Energy: 0.38659379508848557
Energy: 0.47399707462229423
Energy: 0.3963483074281667
Energy: 0.3689231260985148
Energy: 0.39634364421514173
Energy: 0.3689231260985148
Energy: 0.3963483074290172
Energy: 0.3689231260985148
Energy: 0.34784243473660864
Energy: 0.3898877362903685
Energy: 0.3478424347378845
Energy: 0.3898877362929201
Energy: 0.3478424347370339
Energy: 0.38988773629249485
Energy: 0.40064121236122496
Energy: 0.5166228885959807
Energy: 0.4006412123616503
Energy: 0.5166228885942795
Energy: 0.40064121236079964
Energy: 0.5166228885938543
Energy: 0.4014590605272591
Energy: 0.4900257054857107
Energy: 0.401459060525558
Energy: 0.49002570548741187
Energy: 0.40145906052598324
Energy: 0.49002570548741187
Energy: 0.3642872550886282
Energy: 0.39420660236088434
Energy: 0.3642872550873523
Energy: 0.3942066023579074
Energy: 0.36428725509032933
Energy: 0.3942066023579074
Energy: 0.3701580486543719
Energy: 0.3697076938787515
Energy: 0.3701580486522455
Energy: 0.3697076938757745
Energy: 0.3701580486518202
Energy: 0.3697076938757745
Energy: 0.3536687545250051
Energy: 0.4912553583460544
Energy: 0.35352681294614013
Energy: 0.4912553583490314
Energy: 0.3536687545241545
Energy: 0.4912553583490314
Energy: 0.48165455542491553
Energy: 0.4918522873591278
Energy: 0.48165455542449026
Energy: 0.49185228736040365
Energy: 0.4816545554257661
Energy: 0.49185228735997844
Energy: 0.35314863432471116
Energy: 0.38586661536852007
Energy: 0.3531486343226042
Energy: 0.38586661536852007
Energy: 0.35314863432090304
Energy: 0.38586661536852007
Energy: 0.40163849370505034
Energy: 0.3696606449343466
Energy: 0.40211827005551226
Energy: 0.3696606449390247
Energy: 0.40163849370760213
Energy: 0.3696606449390247
Energy: 0.456414488436267
Energy: 0.5587065240660728
Energy: 0.4426692670034984
Energy: 0.5587065240647968
Energy: 0.4564144884388186
Energy: 0.5587065240647968
Energy: 0.4625890279662253
Energy: 0.44611287906948344
Energy: 0.46258902796496876
Energy: 0.44611287906523056
Energy: 0.4625890279645435
Energy: 0.44611287906480535
Energy: 0.4325279923330441
Energy: 0.462822588208202
Energy: 0.3973700638609449
Energy: 0.4154615746778077
Energy: 0.43252799233432
Energy: 0.4154615746778077
Energy: 0.36836255682037417
Energy: 0.44860981542781847
Energy: 0.3683625568212248
Energy: 0.4486098154252668
Energy: 0.36836255681994895
Energy: 0.44860981542484146
Energy: 0.5049481300750363
Energy: 0.5674768458868509
Energy: 0.5049481300724846
Energy: 0.5674768458855749
Energy: 0.5049481300729098
Energy: 0.5674768458855749
Energy: 0.4514817149330054
Energy: 0.36992881275843265
Energy: 0.45148171493045375
Energy: 0.3699288127580073
Energy: 0.45148171492917794
Energy: 0.3699288127580073
Energy: 0.3530578395775673
Energy: 0.446576930106417
Energy: 0.35305989516075986
Energy: 0.44657693010301486
Energy: 0.35305783957714204
Energy: 0.44657693010301486
Energy: 0.3547046122414337
Energy: 0.4800099587612867
Energy: 0.354704612241859
Energy: 0.48000995875830976
Energy: 0.354704612241859
Energy: 0.48000995875830976
Energy: 0.38664678235215794
Energy: 0.46652537028511604
Energy: 0.3866467823517327
Energy: 0.4665253702868172
Energy: 0.3866467823508821
Energy: 0.4665253702868172
Energy: 0.39728778539539
Energy: 0.3698793737278422
Energy: 0.39709576739076696
Energy: 0.36987937372954327
Energy: 0.39728778539624066
Energy: 0.36987937372911806
Energy: 0.3491870678361621
Energy: 0.4387155707755267
Energy: 0.34918706783405495
Energy: 0.40126544465234837
Energy: 0.3491870678361621
Energy: 0.40126544465362424
Energy: 0.3988189265599067
Energy: 0.4568921628573474
Energy: 0.398818926557355
Energy: 0.4568921628586232
Energy: 0.3988189265586309
Energy: 0.4568921628586232
Energy: 0.5306081310896706
Energy: 0.4358219525872788
Energy: 0.5306081310896706
Energy: 0.4358219525889798
Energy: 0.5306081310909464
Energy: 0.4358219525885546
Energy: 0.36519008877066206
Energy: 0.39250050120635993
Energy: 0.36519008877023684
Energy: 0.3925005012025324
Energy: 0.36519008877108733
Energy: 0.39250050120295765
Energy: 0.3762887950409573
Energy: 0.36918479807128785
Energy: 0.3762887950409573
Energy: 0.36918479807128785
Energy: 0.3762887950409573
Energy: 0.36918479807128785
Energy: 0.3545563947809441
Energy: 0.41128838142287794
Energy: 0.3545569714379486
Energy: 0.4112883814181998
Energy: 0.35455639478222
Energy: 0.4112883814181998

minimum gb energy = 0.34784243473660864 eV
minimum distance =  2.61550517265276 Angstroms
sigma value = 33


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

Energy: 0.3777944185568406
Energy: 0.35813965821674626
Energy: 0.3777944185568406
Energy: 0.35813965821674626
Energy: 0.3777944185553483
Energy: 0.35813965821674626
Energy: 0.43863309657863025
Energy: 0.35486495704955395
Energy: 0.4386330965843011
Energy: 0.3548649570492555
Energy: 0.4386330965831073
Energy: 0.3548649570492555
Energy: 0.4168990440784025
Energy: 0.5556581852908955
Energy: 0.41689904407780565
Energy: 0.5556581852908955
Energy: 0.41689904407571643
Energy: 0.5556581852908955
Energy: 0.4041140028169261
Energy: 0.35516089401407575
Energy: 0.404114002817523
Energy: 0.35516089401437423
Energy: 0.40411400281782145
Energy: 0.35516089401437423
Energy: 0.3566727771306567
Energy: 0.546716786759961
Energy: 0.35667277712976125
Energy: 0.5467167867596626
Energy: 0.35667277712976125
Energy: 0.5467167867596626
Energy: 0.49092869058153704
Energy: 0.35535448335759695
Energy: 0.49092869058183547
Energy: 0.35535448335789543
Energy: 0.4909286905812386
Energy: 0.35535448335759695
Energy: 0.39347416996209683
Energy: 0.4496261291799324
Energy: 0.3934741699623953
Energy: 0.44962612917578104
Energy: 0.39347416996269385
Energy: 0.44962612918052935
Energy: 0.40430733871311475
Energy: 0.43593319466653363
Energy: 0.40430733871401014
Energy: 0.43593319466653363
Energy: 0.4043073387143086
Energy: 0.43593319466653363
Energy: 0.5471684050959098
Energy: 0.380881241492498
Energy: 0.5471684050953128
Energy: 0.380881241492498
Energy: 0.5471684050953128
Energy: 0.3808812414921996
Energy: 0.5175927084071403
Energy: 0.36027696552789856
Energy: 0.5175927084077373
Energy: 0.36027696552789856
Energy: 0.5175927084071403
Energy: 0.36027696552789856
Energy: 0.40487111514997515
Energy: 0.40439465114810696
Energy: 0.404871115150572
Energy: 0.4043946511388544
Energy: 0.4048711151496766
Energy: 0.40439465114064527
Energy: 0.5475129483641415
Energy: 0.3552729378936415
Energy: 0.547512948363843
Energy: 0.3552729378936415
Energy: 0.5475129483641415
Energy: 0.3552729378936415
Energy: 0.3820425236207677
Energy: 0.5468497648261049
Energy: 0.3820425236207677
Energy: 0.5468497648261049
Energy: 0.38204252362136465
Energy: 0.5468497648264032
Energy: 0.43513973013946894
Energy: 0.403492762824101
Energy: 0.43513973013917046
Energy: 0.40349276282380253
Energy: 0.435139730138872
Energy: 0.40349276282380253
Energy: 0.4343184753105793
Energy: 0.3951247099155697
Energy: 0.4343184753102809
Energy: 0.39512470991527127
Energy: 0.43431847530998247
Energy: 0.3951247099155697
Energy: 0.3553338984700119
Energy: 0.49115857599750795
Energy: 0.3553338984700119
Energy: 0.49115857599750795
Energy: 0.3553338984706088
Energy: 0.49115857599750795
Energy: 0.5461959434271715
Energy: 0.35768931395887327
Energy: 0.54619594342747
Energy: 0.35768931395887327
Energy: 0.54619594342747
Energy: 0.3576893139591717
Energy: 0.3579448374859852
Energy: 0.4103934617655637
Energy: 0.3579448374862837
Energy: 0.4103934617655637
Energy: 0.3579448374862837
Energy: 0.4103934617652652
Energy: 0.5552596978741601
Energy: 0.41753613773363585
Energy: 0.5552596978738616
Energy: 0.4175361377351282
Energy: 0.5552596978735631
Energy: 0.41753613773542664
Energy: 0.4632731133123566
Energy: 0.3843346837719365
Energy: 0.46327311331325205
Energy: 0.384334683772235
Energy: 0.4632731133159382
Energy: 0.3843346837719365
Energy: 0.3561353550366428
Energy: 0.3789252302282615
Energy: 0.3561353550369412
Energy: 0.3789252302282615
Energy: 0.35613535503723975
Energy: 0.3789252302282615
Energy: 0.3609980296142801
Energy: 0.4357777843749104
Energy: 0.3609980296139817
Energy: 0.43577778437550735
Energy: 0.3609980296142801
Energy: 0.43577778437610426
Energy: 0.5334955552956936
Energy: 0.4638347478739699
Energy: 0.5334955552956936
Energy: 0.4638347478742683
Energy: 0.5334955552965891
Energy: 0.4638347478742683
Energy: 0.3546587572086115
Energy: 0.49201045452680386
Energy: 0.3546587572092085
Energy: 0.49201045452680386
Energy: 0.35465875720891
Energy: 0.4920104545265053
Energy: 0.5478182763540016
Energy: 0.3576385003291581
Energy: 0.5478182763537031
Energy: 0.3576385003291581
Energy: 0.5478182763537031
Energy: 0.3576385003288597
Energy: 0.35675072269971897
Energy: 0.5334069789304866
Energy: 0.3567507227000174
Energy: 0.5334069789304866
Energy: 0.35675072269971897
Energy: 0.5334069789304866
Energy: 0.4321810870683639
Energy: 0.39207361681143604
Energy: 0.43218108706925934
Energy: 0.3920736168108392
Energy: 0.4321810870683639
Energy: 0.3920736168105407
Energy: 0.3790573643822695
Energy: 0.35519939202937456
Energy: 0.37905736438286647
Energy: 0.3551993920290761
Energy: 0.3790573643822695
Energy: 0.35519939202937456
Energy: 0.38152109409057894
Energy: 0.5470686808266678
Energy: 0.3815210940908775
Energy: 0.5470686808266678
Energy: 0.38152109409057894
Energy: 0.5470686808266678
Energy: 0.3623236757846229
Energy: 0.5566615828539584
Energy: 0.36232367578402597
Energy: 0.5566615828545554
Energy: 0.3623236757846229
Energy: 0.5566615828539584
Energy: 0.4067213804443578
Energy: 0.3553079982947331
Energy: 0.4067213804446562
Energy: 0.35530799829682236
Energy: 0.40672138044495476
Energy: 0.3553079982947331
Energy: 0.35460393999976414
Energy: 0.5462735514009034
Energy: 0.3546039399994657
Energy: 0.5462735514006049
Energy: 0.3546039399988688
Energy: 0.5462735514009034
Energy: 0.5476697048897209
Energy: 0.3847833657611764
Energy: 0.5476697048888254
Energy: 0.3847833657611764
Energy: 0.5476697048894223
Energy: 0.3847833657611764
Energy: 0.4034764573405121
Energy: 0.43392027855334664
Energy: 0.4034764573393183
Energy: 0.43392027855334664
Energy: 0.4034764573411091
Energy: 0.43392027855334664
Energy: 0.4035920417567715
Energy: 0.43404964173179794
Energy: 0.40359204175736835
Energy: 0.4340496417314995
Energy: 0.4035920417570699
Energy: 0.434049641731201
Energy: 0.5475990375874287
Energy: 0.384780448172269
Energy: 0.5475990375871301
Energy: 0.384780448172269
Energy: 0.5475990375883241
Energy: 0.38478044817256746
Energy: 0.3546375039156668
Energy: 0.5462985793096802
Energy: 0.35463750391626364
Energy: 0.5462985793093816
Energy: 0.3546375039159652
Energy: 0.5462985793096802
Energy: 0.40673213908563244
Energy: 0.3553799876053134
Energy: 0.40673213908563244
Energy: 0.3553799876002394
Energy: 0.40673213908473704
Energy: 0.355379987599941
Energy: 0.362372704614541
Energy: 0.5565820344863336
Energy: 0.36237270461513793
Energy: 0.5565820344863336
Energy: 0.362372704614541
Energy: 0.5565820344863336
Energy: 0.38150521476003735
Energy: 0.547046522222197
Energy: 0.38150521476033583
Energy: 0.547046522222197
Energy: 0.38150521476033583
Energy: 0.5470465222224954
Energy: 0.3790585366545064
Energy: 0.35516478739940693
Energy: 0.3790585366548049
Energy: 0.3551647873991085
Energy: 0.37905853665510336
Energy: 0.3551647873991085
Energy: 0.4323664121086581
Energy: 0.3921724088614297
Energy: 0.43236641210659593
Energy: 0.39217240886292204
Energy: 0.43236641210778987
Energy: 0.39217240886292204
Energy: 0.3567140393212876
Energy: 0.5335517458541427
Energy: 0.35671403932039214
Energy: 0.5335517458541427
Energy: 0.3567140393188998
Energy: 0.5335517458544412
Energy: 0.5478247120675303
Energy: 0.35762280928606066
Energy: 0.5478247120672319
Energy: 0.35762280928606066
Energy: 0.5478247120666349
Energy: 0.35762280928606066
Energy: 0.35465535562163225
Energy: 0.49206761292120105
Energy: 0.3546553556210354
Energy: 0.49206761292090256
Energy: 0.35465535561954303
Energy: 0.49206761292120105
Energy: 0.5331912721291421
Energy: 0.46400973994276384
Energy: 0.5331912721285452
Energy: 0.46400973994246536
Energy: 0.5331912721285452
Energy: 0.46400973994246536
Energy: 0.3613240527329827
Energy: 0.43023132208070586
Energy: 0.36132405273268425
Energy: 0.43023132208100434
Energy: 0.36132405273268425
Energy: 0.4302313220842875

minimum gb energy = 0.3546039399988688 eV
minimum distance =  2.63319027422661 Angstroms
sigma value = 67


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

Energy: 0.36852794074713
Energy: 0.371923316634423
Energy: 0.368527940746722
Energy: 0.37192331663421907
Energy: 0.36852794074692596
Energy: 0.371923316634423
Energy: 0.3579614939170378
Energy: 0.365236028602211
Energy: 0.3579614939168338
Energy: 0.365236028602415
Energy: 0.3579614939168338
Energy: 0.365236028602415
Energy: 0.4137729181304023
Energy: 0.5043676450567554
Energy: 0.5612962133264346
Energy: 0.5043676450581608
Energy: 0.36515935388587195
Energy: 0.50436764505637
Energy: 0.3579582256491019
Energy: 0.3654825985950147
Energy: 0.3579582256491019
Energy: 0.3654825985950147
Energy: 0.35795822564892055
Energy: 0.3654825985950147
Energy: 0.36852794074692596
Energy: 0.371923316634423
Energy: 0.36852794074692596
Energy: 0.371923316634423
Energy: 0.36852794074692596
Energy: 0.371923316634423
Energy: 0.3579614939158364
Energy: 0.3652360286034123
Energy: 0.3579614939158364
Energy: 0.3652360286034123
Energy: 0.35796149391563237
Energy: 0.3652360286034123
Energy: 0.47723170628801476
Energy: 0.5043676450559621
Energy: 0.5271664434597308
Energy: 0.50436764505637
Energy: 0.5271664434603203
Energy: 0.5043676450567554

minimum gb energy = 0.35795822564892055 eV
minimum distance =  2.69128563094173 Angstroms
sigma value = 3


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

Energy: 0.5379472081227868
Energy: 0.4336110912918608
Energy: 0.5379472081206151
Energy: 0.4336110912918608
Energy: 0.5379472081222438
Energy: 0.4336110912918608
Energy: 0.48449140942518903
Energy: 0.4700614811549786
Energy: 0.4844914094259787
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Energy: 0.4844914094254358
Energy: 0.47006148115473184
Energy: 0.44703307471856496
Energy: 0.5810715571013443
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Energy: 0.5810715571010975
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Energy: 0.446744239520687
Energy: 0.5122827415522638
Energy: 0.45960336961375514
Energy: 0.5122827415533496
Energy: 0.4596033696132123
Energy: 0.4752569379445782
Energy: 0.46823310857393385
Energy: 0.4752569379440353
Energy: 0.46823310857422995
Energy: 0.4752569379462069
Energy: 0.46823310857393385
Energy: 0.4656012984583979
Energy: 0.479006081958224
Energy: 0.46560129846056947
Energy: 0.4790060819576811
Energy: 0.465601298457855
Energy: 0.479006081959063
Energy: 0.5056551392735072
Energy: 0.5265285437100276
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Energy: 0.5190544420486591
Energy: 0.45859338616760653
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Energy: 0.4585933861673103
Energy: 0.5190544420492021
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Energy: 0.46486844411876577
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Energy: 0.4514192640329994
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Energy: 0.442053143517053
Energy: 0.48127902661813143
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Energy: 0.45574153192822636
Energy: 0.4337764064113463
Energy: 0.4579050928366981
Energy: 0.433776406412975
Energy: 0.45790509283645137
Energy: 0.4337764064110995
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Energy: 0.4559032762155497
Energy: 0.4980766678132226
Energy: 0.4559032762144639
Energy: 0.4980766678132226
Energy: 0.45590327621530297
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Energy: 0.49792795590554717
Energy: 0.4650585870493538
Energy: 0.49792795590554717
Energy: 0.4650585870498967
Energy: 0.4979279559095942
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Energy: 0.522390987373145
Energy: 0.4492633548931938
Energy: 0.5223909873720594
Energy: 0.43823897958165753
Energy: 0.5223909873726021
Energy: 0.43823897958165753
Energy: 0.4532510571990941
Energy: 0.47171066032574027
Energy: 0.45325105719830444
Energy: 0.4717106603260364
Energy: 0.45325105719692255
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Energy: 0.44644362192169934
Energy: 0.5254728492581864
Energy: 0.4464436219222423
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Energy: 0.5254728492571006
Energy: 0.4914522729104995
Energy: 0.50941959189154
Energy: 0.4914522729213575
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Energy: 0.4914522729292543
Energy: 0.50941959189154
Energy: 0.48138499144328106
Energy: 0.4488670967202016
Energy: 0.4813849914416523
Energy: 0.4488670967202016
Energy: 0.48138499144056657
Energy: 0.4488670967202016
Energy: 0.44480368859931196
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Energy: 0.44480368859931196
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Energy: 0.449850295488316
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Energy: 0.5108667405636763
Energy: 0.45437636235856405
Energy: 0.5108667405669336
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Energy: 0.5108667405639724
Energy: 0.454376362359107
Energy: 0.4401273608502933
Energy: 0.4618404036727328
Energy: 0.44012736084896065
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Energy: 0.4401273608500465
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Energy: 0.5276182777747116
Energy: 0.4458139191473216
Energy: 0.5276182777747116
Energy: 0.44581391914707486
Energy: 0.5276182777744154
Energy: 0.4695941936933301
Energy: 0.5317404520589485
Energy: 0.4695941936952549
Energy: 0.5317404520589485
Energy: 0.4695941936930833
Energy: 0.5317404520589485
Energy: 0.5071418574583576
Energy: 0.45328339892744285
Energy: 0.5071418574583576
Energy: 0.453283398927196
Energy: 0.5071418574569757
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Energy: 0.43729645604115724
Energy: 0.4429455364332892
Energy: 0.4372964560419962
Energy: 0.4429455364330424
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Energy: 0.4429455364330424
Energy: 0.4518525115087327
Energy: 0.4717092850366265
Energy: 0.4518525115084859
Energy: 0.47170928503637977
Energy: 0.4518525115087327
Energy: 0.47170928503637977
Energy: 0.5155634823685702
Energy: 0.4688116163520425
Energy: 0.5155634823680273
Energy: 0.4688116163520425
Energy: 0.5155634823691132
Energy: 0.4688116163520425
Energy: 0.5025035993577006
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Energy: 0.5025035993596254
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Energy: 0.5025035993571577
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Energy: 0.47497537023627134
Energy: 0.451162823344575
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Energy: 0.4511628233434892
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Energy: 0.4407950409539854
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Energy: 0.4407950409550712
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Energy: 0.44079504095452837
Energy: 0.45769950019767697
Energy: 0.5117931109980635
Energy: 0.4663708541771028
Energy: 0.5117931109956452
Energy: 0.4663708541771028
Energy: 0.5117931109983596
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Energy: 0.48313625624422724
Energy: 0.48978640085167935
Energy: 0.4831362562404269
Energy: 0.48978640085167935
Energy: 0.48313625624393114
Energy: 0.48978640085167935
Energy: 0.4451717377872523
Energy: 0.5290109760340627
Energy: 0.4451717377869561
Energy: 0.5290109760337665
Energy: 0.4451717377858703
Energy: 0.5290109760340627
Energy: 0.44011957605473273
Energy: 0.46066274122935963
Energy: 0.4401195760531039
Energy: 0.46066274122935963
Energy: 0.4401195760552756
Energy: 0.4606627412290635
Energy: 0.560943126389435
Energy: 0.4399073210408933
Energy: 0.5609431263905208
Energy: 0.43990732104114005
Energy: 0.5609431263880531
Energy: 0.4399073210405972
Energy: 0.4735056165286008
Energy: 0.5432093207992956
Energy: 0.4735056165293905
Energy: 0.5432093207990488
Energy: 0.4735056165296866
Energy: 0.5432093207995917
Energy: 0.4491975455296799
Energy: 0.5289805175599371
Energy: 0.44919754552805125
Energy: 0.5289805175602332
Energy: 0.4491975455285941
Energy: 0.52898051756048
Energy: 0.47715191980985233
Energy: 0.46748548007690754
Energy: 0.4771519198101485
Energy: 0.46748548007690754
Energy: 0.4771519198096055
Energy: 0.4674854800766114
Energy: 0.5574004950545738
Energy: 0.4528700560295548
Energy: 0.5574004950545738
Energy: 0.4528700560298509
Energy: 0.5574004950562026
Energy: 0.45287005602930797
Energy: 0.46592358688251917
Energy: 0.5222732816015199
Energy: 0.4659235868816801
Energy: 0.5222732816020628
Energy: 0.46592358688251917
Energy: 0.5222732816023589
Energy: 0.4589241592379905
Energy: 0.47487617659100356
Energy: 0.45892415923774377
Energy: 0.47487617659100356
Energy: 0.4589241592379905
Energy: 0.47487617659100356
Energy: 0.520740120143976
Energy: 0.4452073371302295
Energy: 0.5207401201428902
Energy: 0.44520733712968663
Energy: 0.5207401201442722
Energy: 0.44520733712968663
Energy: 0.5685917023121888
Energy: 0.4620963526911106
Energy: 0.5685917023118926
Energy: 0.4620963526902716
Energy: 0.5685917023118926
Energy: 0.4620963526902716
Energy: 0.44666004418757815
Energy: 0.5241116095017703
Energy: 0.4466600441864923
Energy: 0.5241116095017703
Energy: 0.446660044188121
Energy: 0.5241116095017703
Energy: 0.44305722673662545
Energy: 0.4617746539999395
Energy: 0.44305722673391096
Energy: 0.46177465399969275
Energy: 0.4430572267349968
Energy: 0.4617746539999395
Energy: 0.4771867514496117
Energy: 0.46337077341580274
Energy: 0.47718675144906886
Energy: 0.46337077341604954
Energy: 0.47718675144906886
Energy: 0.46337077341604954
Energy: 0.5146685173119612
Energy: 0.5059512972213475
Energy: 0.5146685173119612
Energy: 0.5059512972216437
Energy: 0.5146685173122079
Energy: 0.505951297225148
Energy: 0.4476229585356949
Energy: 0.48131066949264517
Energy: 0.44762295853431294
Energy: 0.4813106694934843
Energy: 0.44762295853431294
Energy: 0.48131066949264517

minimum gb energy = 0.4336110912918608 eV
minimum distance =  2.58162484998924 Angstroms
sigma value = 81


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

Energy: 0.5287234577942133
Energy: 0.4776876434881935
Energy: 0.4643885136486528
Energy: 0.4776876434881935
Energy: 0.5287234577878797
Energy: 0.4776876434874483
Energy: 0.4830917740161683
Energy: 0.48699679822987224
Energy: 0.48309177401505066
Energy: 0.47958071891474924
Energy: 0.4830917740184037
Energy: 0.4869967982294997
Energy: 0.4495762418737313
Energy: 0.45481041779035
Energy: 0.5147698419819059
Energy: 0.4548104177866244
Energy: 0.44957624187261364
Energy: 0.45481041779258535
Energy: 0.43116599123361515
Energy: 0.47478220216008754
Energy: 0.4311659912313798
Energy: 0.47478220216306805
Energy: 0.431165991230262
Energy: 0.47478220216083267
Energy: 0.48142361734235417
Energy: 0.39975869056543745
Energy: 0.4814236173404914
Energy: 0.3997586905613393
Energy: 0.4814236173449282
Energy: 0.3997586905594765
Energy: 0.46393095469714807
Energy: 0.4777135273054128
Energy: 0.46393095469714807
Energy: 0.39910805014961703
Energy: 0.4639309546956577
Energy: 0.47771352730690303
Energy: 0.47431833086996
Energy: 0.45386147574692465
Energy: 0.47431833086996
Energy: 0.3987309373732066
Energy: 0.4743183308703326
Energy: 0.4538614757409636
Energy: 0.485250798862065
Energy: 0.48065294328322616
Energy: 0.4852635098197602
Energy: 0.4806529432813633
Energy: 0.4852507988602021
Energy: 0.48065294328248104
Energy: 0.49075735236708085
Energy: 0.47592257034863317
Energy: 0.4907573523726354
Energy: 0.4759225703497509
Energy: 0.4907573523737532
Energy: 0.47592257034788804
Energy: 0.4820655256899627
Energy: 0.5794102107375525
Energy: 0.48206552569257066
Energy: 0.5794102107379249
Energy: 0.48206552569033534
Energy: 0.5794102107382976
Energy: 0.4759854564541823
Energy: 0.49170907019249194
Energy: 0.4759854564497115
Energy: 0.4917090701887663
Energy: 0.4759854564489664
Energy: 0.4917090701883937
Energy: 0.4236284460475649
Energy: 0.469603493429783
Energy: 0.45462994457480166
Energy: 0.4696034934294105
Energy: 0.42362844605017286
Energy: 0.46960349342903784
Energy: 0.4809398962196905
Energy: 0.48223246118961777
Energy: 0.4809398962182342
Energy: 0.4822381568566908
Energy: 0.4809398962171164
Energy: 0.4822324611929708
Energy: 0.4510799270836749
Energy: 0.48162343320081213
Energy: 0.4510799270806943
Energy: 0.4816234331996945
Energy: 0.4510799270806943
Energy: 0.4816234332034201
Energy: 0.5235011914913873
Energy: 0.4918895200975751
Energy: 0.5235011914913873
Energy: 0.49188952009683
Energy: 0.5235011914913873
Energy: 0.4918895200964575
Energy: 0.48514538604523905
Energy: 0.4345027516027636
Energy: 0.4851453860459841
Energy: 0.4345027516035087
Energy: 0.4851453860448665
Energy: 0.4345027516012733
Energy: 0.47857896260331395
Energy: 0.4603743287578431
Energy: 0.47857896260219634
Energy: 0.5050359570036307
Energy: 0.47857896260145116
Energy: 0.4603743287645493
Energy: 0.46265157086503095
Energy: 0.5126923919148398
Energy: 0.46269339099256235
Energy: 0.5126923919126044
Energy: 0.46265157086465836
Energy: 0.5126923919140947
Energy: 0.45147135664277077
Energy: 0.44976622428248436
Energy: 0.45147135664128046
Energy: 0.4505163577882243
Energy: 0.45147135663755483
Energy: 0.44976622428397467
Energy: 0.4750941055336819
Energy: 0.47648867756883284
Energy: 0.4750941055359174
Energy: 0.4764886775744213
Energy: 0.47509410553330944
Energy: 0.47648867757628416
Energy: 0.4201124417123788
Energy: 0.4821387692089921
Energy: 0.4201124417127514
Energy: 0.4821387692078744
Energy: 0.42011244171424167
Energy: 0.48213876921122745
Energy: 0.4768652290733639
Energy: 0.4940839650753435
Energy: 0.39957587325699245
Energy: 0.4940839650757161
Energy: 0.4768652290759719
Energy: 0.49408396507720637
Energy: 0.48193557316773955
Energy: 0.4130988288140096
Energy: 0.39977053148985897
Energy: 0.41309882881624505
Energy: 0.4819355731703475
Energy: 0.4130988288154999
Energy: 0.4806195829053891
Energy: 0.4824490488635225
Energy: 0.48061958290647283
Energy: 0.48245627240680006
Energy: 0.4806195829087082
Energy: 0.4824490488616597
Energy: 0.45219739031223327
Energy: 0.4872014846565339
Energy: 0.4521973903099979
Energy: 0.4872014846598869
Energy: 0.4521973903133509
Energy: 0.4872014846557887
Energy: 0.525900193108117
Energy: 0.5278826762797413
Energy: 0.5259001931066268
Energy: 0.5278826762763882
Energy: 0.5259001931099798
Energy: 0.5278826762737803
Energy: 0.5063108886478296
Energy: 0.4313329877014391
Energy: 0.5063108886482021
Energy: 0.431332987695478
Energy: 0.5063108886455941
Energy: 0.4313329876962232
Energy: 0.46950248866003036
Energy: 0.5129350779454194
Energy: 0.4695024886563048
Energy: 0.4604099580026186
Energy: 0.4695024886596579
Energy: 0.5129350779416939
Energy: 0.48300630720110344
Energy: 0.48087161041176457
Energy: 0.48432997399955857
Energy: 0.4808716104095291
Energy: 0.4830063071932796
Energy: 0.4808716104054309
Energy: 0.48006402352156896
Energy: 0.4853223374788206
Energy: 0.48006402352343175
Energy: 0.4854194635116925
Energy: 0.48006402352119637
Energy: 0.48532233747956566
Energy: 0.46911917640183476
Energy: 0.5240906604234962
Energy: 0.46911917639736406
Energy: 0.5240906604249864
Energy: 0.46911917640034456
Energy: 0.5240906604257315
Energy: 0.4371607269887985
Energy: 0.4824392352226631
Energy: 0.4371607269906613
Energy: 0.48243923522378074
Energy: 0.437160726989171
Energy: 0.4824392352245259
Energy: 0.40008567611012336
Energy: 0.48228573614551024
Energy: 0.4951035740614824
Energy: 0.4822857361462553
Energy: 0.40008567611310386
Energy: 0.48228573614364734
Energy: 0.4018468535980283
Energy: 0.405706117124796
Energy: 0.4562962386017719
Energy: 0.4057061171210704
Energy: 0.4018468535928462
Energy: 0.4057061171218155
Energy: 0.44781598493609304
Energy: 0.5757469062644449
Energy: 0.44909236691929155
Energy: 0.575746906261837
Energy: 0.44781598493832847
Energy: 0.575746906261837
Energy: 0.4791126145915057
Energy: 0.5237563374232576
Energy: 0.47911261459336857
Energy: 0.523756337428846
Energy: 0.479112614587035
Energy: 0.5237563374266107
Energy: 0.4843622387388625
Energy: 0.42225540705903436
Energy: 0.4843622387403528
Energy: 0.4222554070594069
Energy: 0.48436223873699963
Energy: 0.42225540705866177
Energy: 0.4925574690802053
Energy: 0.39984647399815193
Energy: 0.4925574690831858
Energy: 0.4681378406241519
Energy: 0.4925574690824407
Energy: 0.39984647399517137

minimum gb energy = 0.3987309373732066 eV
minimum distance =  2.68088752579499 Angstroms
sigma value = 43


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

Energy: 0.5212061632640291
Energy: 0.42142082604875575
Energy: 0.5212061632640291
Energy: 0.42142082604875575
Energy: 0.5212061632640291
Energy: 0.42142082604875575
Energy: 0.4926880854418683
Energy: 0.4563690303155983
Energy: 0.4926880854418683
Energy: 0.4563690303155983
Energy: 0.49268808544232595
Energy: 0.4563690303155983
Energy: 0.49654948472832217
Energy: 0.5086937177359038
Energy: 0.49654948473058946
Energy: 0.5086937177363613
Energy: 0.4632127106142929
Energy: 0.5086937177363613
Energy: 0.49250930370407603
Energy: 0.4415008282426992
Energy: 0.4925093037036184
Energy: 0.4415008282426992
Energy: 0.4925093037036184
Energy: 0.4415008282426992
Energy: 0.4473286540789967
Energy: 0.45082165180689343
Energy: 0.447328654078539
Energy: 0.45082165180689343
Energy: 0.4473286540789967
Energy: 0.45082165180689343
Energy: 0.43647705472886605
Energy: 0.43569056225599745
Energy: 0.43647705472886605
Energy: 0.4356905622564551
Energy: 0.43647705472886605
Energy: 0.43569056225691266
Energy: 0.4566747659527683
Energy: 0.5331341924946346
Energy: 0.45667476595231066
Energy: 0.5331341924946346
Energy: 0.4566747659527683
Energy: 0.5331341924946346
Energy: 0.4692741825849428
Energy: 0.43706530800249943
Energy: 0.4692741825854004
Energy: 0.43706530800249943
Energy: 0.4692741825849428
Energy: 0.43706530800249943
Energy: 0.45326431953525215
Energy: 0.4428084340688615
Energy: 0.45326431953525215
Energy: 0.4428084340688615
Energy: 0.45326431953525215
Energy: 0.4428084340684039
Energy: 0.4473991624150651
Energy: 0.5008893482460203
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Energy: 0.5008893482451049
Energy: 0.4473991624150651
Energy: 0.5008893482455625
Energy: 0.48648178170519796
Energy: 0.47597755081442045
Energy: 0.4864817817056556
Energy: 0.47597755081442045
Energy: 0.48648178170519796
Energy: 0.47597755081442045
Energy: 0.46930711586270646
Energy: 0.4335937260273107
Energy: 0.46930711586270646
Energy: 0.4335937260273107
Energy: 0.46930711586270646
Energy: 0.4335937260273107
Energy: 0.4399281141659795
Energy: 0.502925941537459
Energy: 0.4399281141659795
Energy: 0.502925941537459
Energy: 0.4399281141655218
Energy: 0.502925941537459
Energy: 0.4049649852298503
Energy: 0.5345749506922784
Energy: 0.4049649852303079
Energy: 0.5345749506922784
Energy: 0.4049649852303079
Energy: 0.5345749506922784
Energy: 0.453666097950074
Energy: 0.44664370754112964
Energy: 0.4869672154972562
Energy: 0.44664370754112964
Energy: 0.4536660979496163
Energy: 0.44664370754112964
Energy: 0.4513729140558171
Energy: 0.4474445504614436
Energy: 0.45137291405627467
Energy: 0.4474445504614436
Energy: 0.4513729140567323
Energy: 0.4474445504614436
Energy: 0.4596012904899172
Energy: 0.46210265916959975
Energy: 0.45960129049037485
Energy: 0.46210265917005733
Energy: 0.45960129049037485
Energy: 0.46210265917005733
Energy: 0.4908049203945952
Energy: 0.4582700960586785
Energy: 0.4908049203945952
Energy: 0.4582700960591361
Energy: 0.49080492039505286
Energy: 0.4582700960591361
Energy: 0.5010881934532923
Energy: 0.43299334416336877
Energy: 0.5010881934537498
Energy: 0.43299334416336877
Energy: 0.5010881934532923
Energy: 0.43299334416336877
Energy: 0.46118684528893344
Energy: 0.4657080343301335
Energy: 0.4611868452884758
Energy: 0.46570803433059116
Energy: 0.4611868452884758
Energy: 0.46570803433059116
Energy: 0.4528822350849268
Energy: 0.45749165669734976
Energy: 0.4528822350844692
Energy: 0.45749165669734976
Energy: 0.4528822350849268
Energy: 0.45749165669734976
Energy: 0.4977104376901814
Energy: 0.44996565816714296
Energy: 0.4977104376906391
Energy: 0.44996565816714296
Energy: 0.4977104376901814
Energy: 0.44996565816714296
Energy: 0.4625811407115247
Energy: 0.4787431570462582
Energy: 0.4625811407115247
Energy: 0.4787431570462582
Energy: 0.4625811407115247
Energy: 0.4787431570462582
Energy: 0.4395978555178571
Energy: 0.507027010929005
Energy: 0.4395978555178571
Energy: 0.507027010929005
Energy: 0.4395978555169418
Energy: 0.507027010929005
Energy: 0.4697778121735545
Energy: 0.44029937738264174
Energy: 0.4697778121740121
Energy: 0.44029937738264174
Energy: 0.4697778121740121
Energy: 0.44029937738264174
Energy: 0.4965457104084507
Energy: 0.46617315232612017
Energy: 0.4965457104089083
Energy: 0.46617315232612017
Energy: 0.4965457104079931
Energy: 0.46617315232612017
Energy: 0.4597986899702323
Energy: 0.4793843213742571
Energy: 0.4597986899702323
Energy: 0.4793843213747148
Energy: 0.45979868997068996
Energy: 0.4793843213747148
Energy: 0.4539775304418749
Energy: 0.44387128688751476
Energy: 0.4539775304409596
Energy: 0.4438712868870572
Energy: 0.45397753044141725
Energy: 0.44387128688751476
Energy: 0.46973171729609065
Energy: 0.435958484786132
Energy: 0.46973171729654833
Energy: 0.435958484786132
Energy: 0.46973171729563307
Energy: 0.435958484786132
Energy: 0.4736092470376446
Energy: 0.5317760873777705
Energy: 0.4736092470367293
Energy: 0.5317760873777705
Energy: 0.4736092470367293
Energy: 0.5317760873777705
Energy: 0.4358092488724012
Energy: 0.43536016221081797
Energy: 0.4358092488728588
Energy: 0.43536016221081797
Energy: 0.4358092488724012
Energy: 0.43536016221081797

minimum gb energy = 0.4049649852298503 eV
minimum distance =  2.6575373475271 Angstroms
sigma value = 57


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

Energy: 0.44490473655072177
Energy: 0.4016469742130232
Energy: 0.4449047365501293
Energy: 0.4016469742130232
Energy: 0.44490473655131435
Energy: 0.4016469742130232
Energy: 0.4228353606900936
Energy: 0.42774528663632205
Energy: 0.4228353606900936
Energy: 0.42774528663572947
Energy: 0.422835360689501
Energy: 0.42774528663632205
Energy: 0.444132725177771
Energy: 0.46859549036181
Energy: 0.4441327251771785
Energy: 0.46859549036181
Energy: 0.444132725177771
Energy: 0.46859549036181
Energy: 0.5462487428052767
Energy: 0.4340757827466247
Energy: 0.5462487428052767
Energy: 0.4340757827460322
Energy: 0.5462487428046842
Energy: 0.4340757827460322
Energy: 0.46384281745959605
Energy: 0.44270745810878814
Energy: 0.4638428174590035
Energy: 0.44270745810878814
Energy: 0.46384281745841094
Energy: 0.44270745810878814
Energy: 0.4445933489548222
Energy: 0.4348534762616982
Energy: 0.4445933489548222
Energy: 0.4348534762616982
Energy: 0.4445933489548222
Energy: 0.4348534762616982
Energy: 0.5049924487570033
Energy: 0.48347855392549555
Energy: 0.5049924487575957
Energy: 0.48347855392549555
Energy: 0.5049924487575957
Energy: 0.48347855392549555
Energy: 0.44793367345971885
Energy: 0.40484766890724855
Energy: 0.44793367345971885
Energy: 0.40484766890724855
Energy: 0.4479336734603114
Energy: 0.40484766890724855
Energy: 0.43679156454477713
Energy: 0.4241136655076017
Energy: 0.43679156454536955
Energy: 0.4241136655076017
Energy: 0.43679156454536955
Energy: 0.4241136655076017
Energy: 0.477612674347833
Energy: 0.4620269646514247
Energy: 0.477612674347833
Energy: 0.42137285631835264
Energy: 0.4776126743484255
Energy: 0.42137285631835264
Energy: 0.4435678016178843
Energy: 0.48924254986312804
Energy: 0.44356780161729176
Energy: 0.48924254986312804
Energy: 0.4435678016178843
Energy: 0.48924254986372057
Energy: 0.4681684468537269
Energy: 0.4354308225311364
Energy: 0.46816844685313436
Energy: 0.4354308225311364
Energy: 0.46816844685313436
Energy: 0.4354308225305438
Energy: 0.4194013118131108
Energy: 0.4239638487801583
Energy: 0.4194013118125183
Energy: 0.4239638487801583
Energy: 0.4194013118125183
Energy: 0.42396384878075083
Energy: 0.5070232745130179
Energy: 0.4022852713854513
Energy: 0.5070232745124253
Energy: 0.4022852713854513
Energy: 0.5070232745124253
Energy: 0.4022852713854513
Energy: 0.5053928187847433
Energy: 0.4025818553507021
Energy: 0.5053928187841507
Energy: 0.4025818553507021
Energy: 0.5053928187835582
Energy: 0.4025818553501096
Energy: 0.43700853352676144
Energy: 0.4192587917009215
Energy: 0.4370085335261689
Energy: 0.41925879170032904
Energy: 0.4370085335261689
Energy: 0.4192587917009215
Energy: 0.3916898587608332
Energy: 0.4223067057812872
Energy: 0.39168985876024065
Energy: 0.4223067057818798
Energy: 0.3916898587608332
Energy: 0.4223067057812872
Energy: 0.4416899389718958
Energy: 0.5371708580555813
Energy: 0.4416899389724883
Energy: 0.4440282419363938
Energy: 0.4416899389724883
Energy: 0.4440282419363938
Energy: 0.39163046615452834
Energy: 0.42230218487002297
Energy: 0.39163046615452834
Energy: 0.42230218487061555
Energy: 0.3916304661539358
Energy: 0.42230218487061555
Energy: 0.43697818343296174
Energy: 0.4192108074091351
Energy: 0.4369781834335543
Energy: 0.41921080740972755
Energy: 0.4369781834323692
Energy: 0.4192108074091351
Energy: 0.5058200679731759
Energy: 0.40245132040652
Energy: 0.5058200679737684
Energy: 0.40245132040652
Energy: 0.5058200679731759
Energy: 0.40245132040652
Energy: 0.5070117413026539
Energy: 0.5051457042492289
Energy: 0.5070117413026539
Energy: 0.5051457042492289
Energy: 0.5070117413026539
Energy: 0.5051457042492289
Energy: 0.4194441292085065
Energy: 0.42398424498838316
Energy: 0.4194441292085065
Energy: 0.42398424498897563
Energy: 0.41944412920909896
Energy: 0.42398424498897563
Energy: 0.4682074316280016
Energy: 0.4354016887445036
Energy: 0.4682074316274091
Energy: 0.4354016887445036
Energy: 0.4682074316274091
Energy: 0.4354016887445036

minimum gb energy = 0.3916304661539358 eV
minimum distance =  2.66268543187673 Angstroms
sigma value = 17


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

Energy: 0.4468426183255017
Energy: 0.38063840302366264
Energy: 0.4468426183255017
Energy: 0.38063840302366264
Energy: 0.4468426183255017
Energy: 0.38063840302366264
Energy: 0.414816807276173
Energy: 0.43525128946990965
Energy: 0.414816807276173
Energy: 0.43525128946990965
Energy: 0.414816807276173
Energy: 0.43525128946990965
Energy: 0.4011991137123431
Energy: 0.4195701733611269
Energy: 0.40119911371150513
Energy: 0.4195701733611269
Energy: 0.40119911371150513
Energy: 0.4195701733611269
Energy: 0.4024585016715678
Energy: 0.46474229517194854
Energy: 0.4024585016715678
Energy: 0.46474229517194854
Energy: 0.4024585016715678
Energy: 0.46474229517194854
Energy: 0.41306444242482937
Energy: 0.43194373925430934
Energy: 0.41306444242482937
Energy: 0.43194373925430934
Energy: 0.41306444242482937
Energy: 0.43194373925430934
Energy: 0.43290062288948855
Energy: 0.4163440981553981
Energy: 0.43290062288948855
Energy: 0.4163440981553981
Energy: 0.43290062288948855
Energy: 0.4163440981553981
Energy: 0.4128203198323745
Energy: 0.44655233609655187
Energy: 0.41282031983153655
Energy: 0.44655233609655187
Energy: 0.4128203198323745
Energy: 0.4465523360957139
Energy: 0.40261489881829576
Energy: 0.4543047993398896
Energy: 0.40261489881829576
Energy: 0.4543047993398896
Energy: 0.40261489881829576
Energy: 0.4543047993398896
Energy: 0.38168654084225967
Energy: 0.420441625707218
Energy: 0.38168654084225967
Energy: 0.420441625707218
Energy: 0.38168654084225967
Energy: 0.420441625707218
Energy: 0.44248858421041787
Energy: 0.4366571342741606
Energy: 0.44248858421041787
Energy: 0.4366571342741606
Energy: 0.44248858421041787
Energy: 0.4366571342741606
Energy: 0.4423330450388176
Energy: 0.42302973322912196
Energy: 0.4423330450388176
Energy: 0.42302973322828397
Energy: 0.4423330450388176
Energy: 0.42302973322828397
Energy: 0.3827122728405192
Energy: 0.4165040212992408
Energy: 0.3827122728413571
Energy: 0.4165040212992408
Energy: 0.3827122728413571
Energy: 0.4165040212992408
Energy: 0.4186015419588451
Energy: 0.4225363468782936
Energy: 0.4186015419588451
Energy: 0.4225363468782936
Energy: 0.4186015419588451
Energy: 0.4225363468782936
Energy: 0.3922979386093542
Energy: 0.386440791927153
Energy: 0.3922979386093542
Energy: 0.386440791927153
Energy: 0.3922979386093542
Energy: 0.386440791927153
Energy: 0.4280245515648344
Energy: 0.46529207812133194
Energy: 0.42802455156399655
Energy: 0.46529207812133194
Energy: 0.4280245515648344
Energy: 0.46529207812133194
Energy: 0.43313213285807756
Energy: 0.42169234465526356
Energy: 0.43313213285891555
Energy: 0.42169234465526356
Energy: 0.43313213285807756
Energy: 0.42169234465526356
Energy: 0.39148887906037744
Energy: 0.38614960611461246
Energy: 0.39148887906037744
Energy: 0.38614960611461246
Energy: 0.39148887906037744
Energy: 0.38614960611461246

minimum gb energy = 0.38063840302366264 eV
minimum distance =  2.65971987707058 Angstroms
sigma value = 17


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

Energy: 0.4181331339700576
Energy: 0.3763465740312899
Energy: 0.3997314939826197
Energy: 0.37634657403420224
Energy: 0.41813313397652946
Energy: 0.37634657403420224
Energy: 0.43395774682730687
Energy: 0.4032638249126321
Energy: 0.4145178836073842
Energy: 0.4121665240875017
Energy: 0.4339577468311899
Energy: 0.40326382491457363
Energy: 0.4101698370505279
Energy: 0.4133656405660518
Energy: 0.3848113420550588
Energy: 0.41336564056864056
Energy: 0.41016983705473453
Energy: 0.41336564056864056
Energy: 0.3932458729025166
Energy: 0.39863843923403
Energy: 0.3932619314615498
Energy: 0.39865111055584784
Energy: 0.39324587290542895
Energy: 0.3986384392353243
Energy: 0.4604150668043043
Energy: 0.41060329407198776
Energy: 0.46041506680300986
Energy: 0.41060329407619445
Energy: 0.46041506680203914
Energy: 0.41060329407587093
Energy: 0.3888573611239746
Energy: 0.34940246520014545
Energy: 0.38899596513041446
Energy: 0.3494024652049993
Energy: 0.388857361125269
Energy: 0.3494024652046757
Energy: 0.3664348891916398
Energy: 0.4139376486700781
Energy: 0.36643488918969824
Energy: 0.413937648664577
Energy: 0.3664348891900218
Energy: 0.413937648664577
Energy: 0.4299734885038974
Energy: 0.42012471659488565
Energy: 0.4299734885055153
Energy: 0.42012471659132616
Energy: 0.4299734885074568
Energy: 0.4201247165910026
Energy: 0.3842177467849478
Energy: 0.3820178916331885
Energy: 0.3842177467833298
Energy: 0.3820178916351301
Energy: 0.3842177467846242
Energy: 0.3820178916318942
Energy: 0.36554441948602456
Energy: 0.39316382573419795
Energy: 0.36554441948667177
Energy: 0.3931638257374338
Energy: 0.3655444194895841
Energy: 0.3931638257374338
Energy: 0.413505213851982
Energy: 0.43599969464182486
Energy: 0.41350521385230565
Energy: 0.4359996946405304
Energy: 0.4135052138497169
Energy: 0.43599969464085403
Energy: 0.3868317854771848
Energy: 0.4208972941028008
Energy: 0.3868317854781555
Energy: 0.4208972941063603
Energy: 0.3868317854771848
Energy: 0.4208972941060367
Energy: 0.41755370595681945
Energy: 0.4212725918123234
Energy: 0.41755370595681945
Energy: 0.42127259181167614
Energy: 0.41755370595552505
Energy: 0.42127259181167614
Energy: 0.40864743170159074
Energy: 0.39956366571825314
Energy: 0.4086474317057974
Energy: 0.3995636657166352
Energy: 0.4086474317045031
Energy: 0.39956366571695884
Energy: 0.38931825700010453
Energy: 0.42298842969088085
Energy: 0.38922568069440105
Energy: 0.4229884296918516
Energy: 0.3893182445784378
Energy: 0.4229884296918516
Energy: 0.3968678334133927
Energy: 0.39843473888334935
Energy: 0.3968689876178518
Energy: 0.3985715551518514
Energy: 0.3968678334124219
Energy: 0.37654300192127504
Energy: 0.362254569204108
Energy: 0.3866404947956391
Energy: 0.3622545692050788
Energy: 0.38664049479499185
Energy: 0.3622545692070203
Energy: 0.38664049479499185
Energy: 0.43510244227848077
Energy: 0.4422331895263646
Energy: 0.43510244227848077
Energy: 0.4422331895286297
Energy: 0.43510244227848077
Energy: 0.4422331895286297
Energy: 0.4075861650035666
Energy: 0.41376784655004784
Energy: 0.4075861650074497
Energy: 0.4137678465516658
Energy: 0.4075861650084205
Energy: 0.4137678465516658
Energy: 0.36218079761190863
Energy: 0.36607321679721155
Energy: 0.36218079761320293
Energy: 0.33976201083422214
Energy: 0.36218079761223215
Energy: 0.3397620108397232
Energy: 0.427062280766649
Energy: 0.41353991351515135
Energy: 0.42706228076761976
Energy: 0.4135399135157985
Energy: 0.4270622807640603
Energy: 0.4135399135157985
Energy: 0.3727494682978352
Energy: 0.44218997299236984
Energy: 0.3727494683010711
Energy: 0.4421899729846331
Energy: 0.3727494683013947
Energy: 0.4421899729843095
Energy: 0.38326652285713636
Energy: 0.3637208015113487
Energy: 0.3832665228619608
Energy: 0.36372080150584774
Energy: 0.3832665228587249
Energy: 0.3637208015055241
Energy: 0.39795860385378534
Energy: 0.4468563695681198
Energy: 0.3979586038557269
Energy: 0.44685636956714897
Energy: 0.3979586038576684
Energy: 0.4468563695668254
Energy: 0.40062097593656915
Energy: 0.4059301147781739
Energy: 0.40062097593624557
Energy: 0.4059301147788212
Energy: 0.40062097593300966
Energy: 0.40593011477946833
Energy: 0.4181524016560507
Energy: 0.4074371384546903
Energy: 0.4086296742824784
Energy: 0.4074371384546903
Energy: 0.4181524016511968
Energy: 0.4074371384546903
Energy: 0.4269361889963172
Energy: 0.41276908754999586
Energy: 0.40842209716381483
Energy: 0.4127690875551734
Energy: 0.42693618900017094
Energy: 0.4127690875551734
Energy: 0.41111595845932
Energy: 0.42501219916224064
Energy: 0.3848872285333596
Energy: 0.4250121991603285
Energy: 0.41111595846029064
Energy: 0.4250121991603285
Energy: 0.4096590033685759
Energy: 0.43938779781837944
Energy: 0.40963602209973976
Energy: 0.43938779781223114
Energy: 0.4096590033760185
Energy: 0.43938779781190757
Energy: 0.3650286302520658
Energy: 0.37958261928243014
Energy: 0.3650286302520658
Energy: 0.39974946679643253
Energy: 0.36502863025336013
Energy: 0.39815234653814685
Energy: 0.4290945026069847
Energy: 0.3764871037675542
Energy: 0.429094502608279
Energy: 0.3764871037649655
Energy: 0.4290945026069847
Energy: 0.3764871037652891
Energy: 0.4100662339104063
Energy: 0.4395460250890237
Energy: 0.41006623391072994
Energy: 0.43954602508967094
Energy: 0.41006623390911195
Energy: 0.43954602508967094
Energy: 0.3693589971289818
Energy: 0.3683309650713293
Energy: 0.3693589971338356
Energy: 0.36833096506712254
Energy: 0.36935899713286485
Energy: 0.3683309650677698
Energy: 0.3683759360830855
Energy: 0.34867464254240443
Energy: 0.36837593608114394
Energy: 0.3486746425417573
Energy: 0.3683759360801731
Energy: 0.34867464254208086
Energy: 0.4616800862980852
Energy: 0.4155749837325713
Energy: 0.46168008630035023
Energy: 0.4155749837374252
Energy: 0.4616800862955258
Energy: 0.4155749837377487
Energy: 0.3942283853576586
Energy: 0.36247865359404036
Energy: 0.3942283853576586
Energy: 0.3624786535908044
Energy: 0.3942283853550699
Energy: 0.3624786535908044
Energy: 0.3908056530544075
Energy: 0.4035130095349866
Energy: 0.3908056530563491
Energy: 0.4035130095320742
Energy: 0.3908056530579671
Energy: 0.4035130095320742
Energy: 0.42054384574282355
Energy: 0.41041145517414174
Energy: 0.42054384574282355
Energy: 0.41041145517349453
Energy: 0.4205438457460595
Energy: 0.41041145517349453
Energy: 0.39973149397970736
Energy: 0.37634657403514366
Energy: 0.39973149398132535
Energy: 0.37634657403902666
Energy: 0.39973149398035457
Energy: 0.37634657403902666
Energy: 0.4145178836096494
Energy: 0.40326481598602043
Energy: 0.41451788360611924
Energy: 0.40326481598602043
Energy: 0.4145178836048249
Energy: 0.40326481598569686
Energy: 0.41602013343818883
Energy: 0.4132766533563255
Energy: 0.41602062964264297
Energy: 0.4132766533537367
Energy: 0.41602013343851246
Energy: 0.4132766533534132
Energy: 0.39334279512101794
Energy: 0.3783855016682618
Energy: 0.3933323893519914
Energy: 0.3783855016714977
Energy: 0.39334279512554826
Energy: 0.37838550167117413
Energy: 0.4604150668059222
Energy: 0.41070988600157193
Energy: 0.4604150668049514
Energy: 0.4107098860028663
Energy: 0.4604150668039807
Energy: 0.4107098860031899

minimum gb energy = 0.33976201083422214 eV
minimum distance =  2.61523074912136 Angstroms
sigma value = 57


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

Energy: 0.3754763908380348
Energy: 0.3395942334394158
Energy: 0.3754763908380348
Energy: 0.3395942334394158
Energy: 0.3754763908380348
Energy: 0.3395942334394158
Energy: 0.3817380042745362
Energy: 0.37564176109573294
Energy: 0.3817380042745362
Energy: 0.37564176109573294
Energy: 0.38173800427348237
Energy: 0.3756417610962598
Energy: 0.3646612831417549
Energy: 0.37484942016413714
Energy: 0.3646612831417549
Energy: 0.374849420164664
Energy: 0.36466128314228174
Energy: 0.374849420164664
Energy: 0.3598115359246339
Energy: 0.33801408910341973
Energy: 0.3598115359246339
Energy: 0.33801408910341973
Energy: 0.35981153592410703
Energy: 0.33801408910289293
Energy: 0.46058354987258376
Energy: 0.3695767550681517
Energy: 0.4605835498736375
Energy: 0.3695767550681517
Energy: 0.4605835498736375
Energy: 0.3695767550686786
Energy: 0.3368846460199121
Energy: 0.3318354328144045
Energy: 0.3368846460199121
Energy: 0.3318354328138776
Energy: 0.3368846460199121
Energy: 0.3318354328144045
Energy: 0.38032635499806805
Energy: 0.37357788184287327
Energy: 0.3803263549975412
Energy: 0.37357788184287327
Energy: 0.3803263549991219
Energy: 0.3735778818423464
Energy: 0.410846825649665
Energy: 0.3882746192143997
Energy: 0.410846825649665
Energy: 0.3882746192143997
Energy: 0.410846825649665
Energy: 0.3882746192143997
Energy: 0.3624100000037006
Energy: 0.33292849925277307
Energy: 0.3624100000037006
Energy: 0.3329284992532999
Energy: 0.3624100000037006
Energy: 0.3329284992532999
Energy: 0.34132137970218945
Energy: 0.36675458451621085
Energy: 0.3413213797000819
Energy: 0.36675458451621085
Energy: 0.34132137971272714
Energy: 0.36675458451621085
Energy: 0.4142359877030797
Energy: 0.41872286777652007
Energy: 0.41423598770360653
Energy: 0.4187228677770469
Energy: 0.41423598770360653
Energy: 0.4187228677770469
Energy: 0.33193774492276173
Energy: 0.3789106094570346
Energy: 0.33193774492170797
Energy: 0.37891060945650773
Energy: 0.33193774492328865
Energy: 0.3789106094570346
Energy: 0.3400840451138562
Energy: 0.3532095826777758
Energy: 0.34008404511438306
Energy: 0.3532095826783027
Energy: 0.3400840451138562
Energy: 0.3532095826783027
Energy: 0.3733198199388121
Energy: 0.3910066956729703
Energy: 0.37331981993933894
Energy: 0.39100669567349716
Energy: 0.37331981993986585
Energy: 0.39100669567349716
Energy: 0.359988594086784
Energy: 0.3979180187228943
Energy: 0.359988594086784
Energy: 0.3979180187228943
Energy: 0.3599885940862571
Energy: 0.3979180187228943
Energy: 0.38545902366650064
Energy: 0.3847398026091574
Energy: 0.38545902366702745
Energy: 0.3847398026096844
Energy: 0.38545902366755436
Energy: 0.3847398026091574
Energy: 0.39036167053241116
Energy: 0.382958501004466
Energy: 0.390361670533465
Energy: 0.382958501004466
Energy: 0.3903616705339919
Energy: 0.382958501004466
Energy: 0.36887005704175807
Energy: 0.43455062419053303
Energy: 0.36887005704175807
Energy: 0.43455062419053303
Energy: 0.36887005704175807
Energy: 0.43455062419105994
Energy: 0.3742090314806018
Energy: 0.4008829530086074
Energy: 0.37420903148007495
Energy: 0.4008829530086074
Energy: 0.37420903148007495
Energy: 0.4008829530091343
Energy: 0.3747694277929202
Energy: 0.3414498539509686
Energy: 0.37476942779344713
Energy: 0.3414498539509686
Energy: 0.374769427793974
Energy: 0.3414498539509686
Energy: 0.37975283560823503
Energy: 0.4189698016013835
Energy: 0.37975283560665446
Energy: 0.4189698016013835
Energy: 0.3797528356077082
Energy: 0.4189698016013835
Energy: 0.36790731786140574
Energy: 0.4029720665432984
Energy: 0.36790731786140574
Energy: 0.4029720665432984
Energy: 0.36790731786035197
Energy: 0.4029720665432984
Energy: 0.342803645093873
Energy: 0.3302669599658766
Energy: 0.342803645093873
Energy: 0.3302669599658766
Energy: 0.3428036450933461
Energy: 0.33026695996640343
Energy: 0.37993135741596623
Energy: 0.4666051527221171
Energy: 0.3799313574164931
Energy: 0.4666051527221171
Energy: 0.37993135741596623
Energy: 0.4666051527221171
Energy: 0.39349843197356954
Energy: 0.42171488072706276
Energy: 0.39349843197356954
Energy: 0.42171488072706276
Energy: 0.3934984319740964
Energy: 0.42171488072706276
Energy: 0.3386595485561962
Energy: 0.33072145631360345
Energy: 0.3386595485556693
Energy: 0.33072145631307653
Energy: 0.33865954855724995
Energy: 0.33072145631307653
Energy: 0.36515267128103046
Energy: 0.40077199037312394
Energy: 0.3651526712805036
Energy: 0.4007719903736508
Energy: 0.3651526712805036
Energy: 0.40077199037417766

minimum gb energy = 0.3302669599658766 eV
minimum distance =  2.60519760304321 Angstroms
sigma value = 43


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

Energy: 0.4012727091291685
Energy: 0.3150116523259261
Energy: 0.4012727091299363
Energy: 0.3150116523259261
Energy: 0.40127270912955243
Energy: 0.3150116523259261
Energy: 0.341431617174468
Energy: 0.341943522935912
Energy: 0.3414316171740841
Energy: 0.341943522935912
Energy: 0.3414316171748518
Energy: 0.341943522935912
Energy: 0.3268532252383419
Energy: 0.3437340322469505
Energy: 0.32685322523872584
Energy: 0.3437340322469505
Energy: 0.32685322523872584
Energy: 0.3437340322469505
Energy: 0.3890054066225222
Energy: 0.3064005366771221
Energy: 0.38900540662290606
Energy: 0.3064005366771221
Energy: 0.38900540662290606
Energy: 0.3064005366767382
Energy: 0.3960705554408596
Energy: 0.3316106427440535
Energy: 0.3960705554408596
Energy: 0.3316106427440535
Energy: 0.3960705554408596
Energy: 0.3316106427440535
Energy: 0.30015312212291084
Energy: 0.30193457645517796
Energy: 0.3001531221221431
Energy: 0.30193457645441013
Energy: 0.3001531221221431
Energy: 0.30193457645441013
Energy: 0.3765627324389887
Energy: 0.32640469250407095
Energy: 0.37656273243937266
Energy: 0.32640469250407095
Energy: 0.37656273243822097
Energy: 0.32640469250407095
Energy: 0.4068770967360988
Energy: 0.36068089133247916
Energy: 0.40687709673571487
Energy: 0.3606808913320953
Energy: 0.40687709673571487
Energy: 0.36068089133247916
Energy: 0.29203267266332433
Energy: 0.301712468833396
Energy: 0.29203267266332433
Energy: 0.301712468833396
Energy: 0.2920326726629404
Energy: 0.3017124688337799
Energy: 0.3367196156759204
Energy: 0.31678240235064736
Energy: 0.33671961567476877
Energy: 0.31678240235064736
Energy: 0.3367196156755365
Energy: 0.31678240235064736
Energy: 0.3701345145867519
Energy: 0.36011249184826044
Energy: 0.37013451458601904
Energy: 0.36011249184826044
Energy: 0.37013451458636804
Energy: 0.36011249184826044
Energy: 0.31476707801669673
Energy: 0.30284280019589627
Energy: 0.31476707801669673
Energy: 0.30284280019551235
Energy: 0.31476707801669673
Energy: 0.30284280019666404
Energy: 0.3362459126749746
Energy: 0.31258204193327893
Energy: 0.3362459126745907
Energy: 0.312582041932895
Energy: 0.3362459126749746
Energy: 0.31258204193327893
Energy: 0.3725996103085975
Energy: 0.3635924821449641
Energy: 0.3725996103082137
Energy: 0.3635924821449641
Energy: 0.3725996103085975
Energy: 0.3635924821449641
Energy: 0.31972526875273793
Energy: 0.32751504911358775
Energy: 0.31972526875312185
Energy: 0.32751504911358775
Energy: 0.31972526875350576
Energy: 0.3275150491132038
Energy: 0.31386976834799524
Energy: 0.29701014161029643
Energy: 0.3138697683476114
Energy: 0.2970101416106803
Energy: 0.31386976834799524
Energy: 0.29701014161029643
Energy: 0.3698486909983726
Energy: 0.3717589730321326
Energy: 0.3698486909983726
Energy: 0.3717589730321326
Energy: 0.3698486909979886
Energy: 0.3717589730321326
Energy: 0.29480520093674734
Energy: 0.3297063388589929
Energy: 0.2948052009363635
Energy: 0.3297063388589929
Energy: 0.2948052009363635
Energy: 0.3297063388589929
Energy: 0.30341961857851
Energy: 0.31567710820334155
Energy: 0.30341961857735833
Energy: 0.31567710820334155
Energy: 0.3034196185781261
Energy: 0.31567710820334155
Energy: 0.34287036864539394
Energy: 0.38652761791503504
Energy: 0.34287036864501
Energy: 0.38652761791503504
Energy: 0.34287036864616166
Energy: 0.38652761791541895
Energy: 0.3214610414392823
Energy: 0.3685436580175579
Energy: 0.32146104143889837
Energy: 0.3685436580175579
Energy: 0.3214610414404339
Energy: 0.36854365801640626
Energy: 0.3464987833432326
Energy: 0.3431992309745502
Energy: 0.3464987833428487
Energy: 0.34319923097493404
Energy: 0.3464987833428487
Energy: 0.34319923097493404
Energy: 0.3427724343516389
Energy: 0.3391954174091198
Energy: 0.342772434351255
Energy: 0.33919541740873593
Energy: 0.34277243435202276
Energy: 0.33919541740873593
Energy: 0.3581314759205957
Energy: 0.36707310229831697
Energy: 0.3581314759205957
Energy: 0.3670731022987008
Energy: 0.3581314759213634
Energy: 0.3670731022987008
Energy: 0.33179779278727256
Energy: 0.3434447618485011
Energy: 0.3317977927876564
Energy: 0.3434447618492689
Energy: 0.33179779278727256
Energy: 0.3434447618485011
Energy: 0.3311542810416064
Energy: 0.30876570346516785
Energy: 0.3311542810416064
Energy: 0.30876570346516785
Energy: 0.33115428104045475
Energy: 0.30876570346516785
Energy: 0.31068208259488955
Energy: 0.375112788802739
Energy: 0.310682082593354
Energy: 0.3751127888023551
Energy: 0.30644484511034453
Energy: 0.3751127888023551
Energy: 0.32403359495029316
Energy: 0.33376112232587
Energy: 0.32403359495029316
Energy: 0.33376112232587
Energy: 0.324033594950677
Energy: 0.33376112232587
Energy: 0.29716661027802543
Energy: 0.29162648306785394
Energy: 0.29716661027802543
Energy: 0.29162648306785394
Energy: 0.2971666102776416
Energy: 0.29162648306785394
Energy: 0.3168305348677756
Energy: 0.3680235671740415
Energy: 0.3168305348685434
Energy: 0.3680235671740415
Energy: 0.31683053486739166
Energy: 0.3680235671744254
Energy: 0.3175193235378317
Energy: 0.41434630322955524
Energy: 0.31751932353744783
Energy: 0.41434630322955524
Energy: 0.3175193235382156
Energy: 0.41434630322955524
Energy: 0.2974609595967421
Energy: 0.2889590066902278
Energy: 0.29746095959750996
Energy: 0.2889590066902278
Energy: 0.29746095959712604
Energy: 0.2889590066902278
Energy: 0.3137198193647022
Energy: 0.40221668676483907
Energy: 0.31371981936431836
Energy: 0.40221668676483907
Energy: 0.31371981936431836
Energy: 0.4022166867644551
Energy: 0.3681226048198569
Energy: 0.36790925670962643
Energy: 0.3681226048190892
Energy: 0.36790925670962643
Energy: 0.3681226048187053
Energy: 0.36790925670962643
Energy: 0.2982560232610019
Energy: 0.31315050329876376
Energy: 0.2982560232610019
Energy: 0.3131505032991476
Energy: 0.29825602326138584
Energy: 0.3131505032991476
Energy: 0.3045511582295394
Energy: 0.331923490619144
Energy: 0.30455115822992324
Energy: 0.33192349061876014
Energy: 0.3045511582291555
Energy: 0.33192349061876014

minimum gb energy = 0.2889590066902278 eV
minimum distance =  2.60789110947521 Angstroms
sigma value = 81


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

Energy: 0.0740423924076892
Energy: 0.09677586172199726
Energy: 0.07404239240783345
Energy: 0.0967758617221415
Energy: 0.07404239240783345
Energy: 0.09677586172158051
Energy: 0.22262275682709146
Energy: 0.07452730161873572
Energy: 0.22262275682709146
Energy: 0.07452730162128425
Energy: 0.2226227568272197
Energy: 0.07452730161549798
Energy: 0.2226238303920548
Energy: 0.07467712174123575
Energy: 0.22262383039219907
Energy: 0.07467712174038625
Energy: 0.22262383039219907
Energy: 0.07467712174320723
Energy: 0.0740423924076892
Energy: 0.09677586172199726
Energy: 0.0740423924076892
Energy: 0.0967758617221415
Energy: 0.0740423924076892
Energy: 0.09677586172172477
Energy: 0.22262275682694718
Energy: 0.07452730161931274
Energy: 0.22262275682709146
Energy: 0.07452730161987374
Energy: 0.22262275682709146
Energy: 0.0745273016214285
Energy: 0.2226238303920548
Energy: 0.07467712174264624
Energy: 0.22262383039234332
Energy: 0.07467712174364002
Energy: 0.22262383039234332
Energy: 0.07467712174123575
Energy: 0.07404239240754494
Energy: 0.09677586172228576
Energy: 0.0740423924076892
Energy: 0.09677586172228576
Energy: 0.07404239240783345
Energy: 0.09677586172299102
Energy: 0.22262275682709146
Energy: 0.07452730161450423
Energy: 0.22262275682694718
Energy: 0.07452730161887998
Energy: 0.22262275682709146
Energy: 0.07452730161520947
Energy: 0.22262383039219907
Energy: 0.07467712174011376
Energy: 0.22262383039219907
Energy: 0.0746771217427905
Energy: 0.2226238303920548
Energy: 0.0746771217416685
Energy: 0.0740423924076892
Energy: 0.09677586172228576
Energy: 0.07404239240783345
Energy: 0.09677586172228576
Energy: 0.07404239240796168
Energy: 0.0967758617227025

minimum gb energy = 0.07404239240754494 eV
minimum distance =  2.83364411921997 Angstroms
sigma value = 3


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

Energy: 0.3911754626040884
Energy: 0.3051994201913406
Energy: 0.39117546260324426
Energy: 0.30519942019091856
Energy: 0.39117546260366637
Energy: 0.30519942019091856
Energy: 0.3198317412323648
Energy: 0.32030719498260607
Energy: 0.31983174123152064
Energy: 0.32030719498260607
Energy: 0.3198317412323648
Energy: 0.32030719498260607
Energy: 0.35152066634333046
Energy: 0.3199441596356445
Energy: 0.35152066634290835
Energy: 0.3199441596356445
Energy: 0.35152066634333046
Energy: 0.31994415963691075
Energy: 0.36446626904692303
Energy: 0.317183322245536
Energy: 0.3644662690460788
Energy: 0.31718332224511386
Energy: 0.3644662690460788
Energy: 0.31718332224511386
Energy: 0.3178174224763892
Energy: 0.32711880845008545
Energy: 0.3178174224759671
Energy: 0.32711880845008545
Energy: 0.3178174224768113
Energy: 0.32711880845050756
Energy: 0.34608423817708495
Energy: 0.3458239186073121
Energy: 0.34608423817708495
Energy: 0.3458239186073121
Energy: 0.3460842381766629
Energy: 0.3458239186073121
Energy: 0.35195418091527186
Energy: 0.3328424457349069
Energy: 0.35195418091527186
Energy: 0.3328424457349069
Energy: 0.35195418091527186
Energy: 0.3328424457349069
Energy: 0.31147408128355875
Energy: 0.3254794113891511
Energy: 0.3114740812831366
Energy: 0.3254794113883069
Energy: 0.31147408128355875
Energy: 0.325479411388729
Energy: 0.3478372040224526
Energy: 0.35387153007896127
Energy: 0.3478372040224526
Energy: 0.35387153007896127
Energy: 0.3478372040224526
Energy: 0.35387153007896127
Energy: 0.31828781972114606
Energy: 0.31719126494847444
Energy: 0.3182878197224123
Energy: 0.31719126494847444
Energy: 0.31828781972114606
Energy: 0.31719126494847444
Energy: 0.31458502872433486
Energy: 0.3241373055552325
Energy: 0.3145850287239127
Energy: 0.32413730555481046
Energy: 0.3145850287256011
Energy: 0.32413730555481046
Energy: 0.3562796264274002
Energy: 0.3696058086082923
Energy: 0.3562796264274002
Energy: 0.3696058086082923
Energy: 0.35627962642782224
Energy: 0.3696058086082923
Energy: 0.3272364715163851
Energy: 0.3077288963518261
Energy: 0.327236471515963
Energy: 0.3077288963518261
Energy: 0.327236471515963
Energy: 0.3077288963518261
Energy: 0.3216590897021224
Energy: 0.3505362364018116
Energy: 0.32165908970549917
Energy: 0.3505362364018116
Energy: 0.3216590897067655
Energy: 0.3505362364018116
Energy: 0.342838336506038
Energy: 0.3688744516287775
Energy: 0.34283833650646006
Energy: 0.3688744516287775
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Energy: 0.36887445162835547
Energy: 0.3030377135560804
Energy: 0.3128575520812793
Energy: 0.3030377135590351
Energy: 0.3128575520812793
Energy: 0.3030377135581909
Energy: 0.3128575520812793
Energy: 0.3468873873536341
Energy: 0.35630538846339393
Energy: 0.34688738735321195
Energy: 0.35630538846339393
Energy: 0.34688738735321195
Energy: 0.35630538846339393
Energy: 0.32124556797037446
Energy: 0.3421544222293247
Energy: 0.32124556797079656
Energy: 0.3421544222297468
Energy: 0.32124556797037446
Energy: 0.3421544222297468
Energy: 0.32227792747292555
Energy: 0.3375643861828494
Energy: 0.32227792747376965
Energy: 0.3375643861828494
Energy: 0.3222779274767244
Energy: 0.3375643861828494
Energy: 0.320698648421709
Energy: 0.373218005018439
Energy: 0.3206986484212868
Energy: 0.373218005018439
Energy: 0.320698648421709
Energy: 0.373218005018439
Energy: 0.3336588807683378
Energy: 0.3280169629647611
Energy: 0.33365888076791567
Energy: 0.3280169629647611
Energy: 0.3336588807687599
Energy: 0.32801696296518323
Energy: 0.3309957518915771
Energy: 0.3306395586406913
Energy: 0.3309957518907329
Energy: 0.3306395586406913
Energy: 0.3309957518915771
Energy: 0.3306395586406913
Energy: 0.3253768841460463
Energy: 0.3725544682579161
Energy: 0.3253768841456242
Energy: 0.3725544682579161
Energy: 0.3253768841456242
Energy: 0.372554468257494
Energy: 0.3655441158677063
Energy: 0.31722099603147275
Energy: 0.3655441158672842
Energy: 0.31722099603147275
Energy: 0.3655441158677063
Energy: 0.31722099603147275
Energy: 0.35438285560338234
Energy: 0.3505866498102762
Energy: 0.35438285560380445
Energy: 0.3505866498102762
Energy: 0.35438285560338234
Energy: 0.3505866498102762
Energy: 0.3064465282508717
Energy: 0.35623323553029473
Energy: 0.3064465282508717
Energy: 0.35623323553029473
Energy: 0.3064465282508717
Energy: 0.35623323552987257
Energy: 0.3746966511661425
Energy: 0.3199855553589424
Energy: 0.3746966511661425
Energy: 0.3199855553589424
Energy: 0.3746966511652983
Energy: 0.3199855553589424
Energy: 0.3493889727273954
Energy: 0.3466762458766454
Energy: 0.3493889727278175
Energy: 0.3466762458766454
Energy: 0.3493889727269733
Energy: 0.3466762458766454
Energy: 0.2953661200239486
Energy: 0.32735963330248097
Energy: 0.2953661200239486
Energy: 0.32735963330248097
Energy: 0.2953661200239486
Energy: 0.32735963330248097
Energy: 0.3640221820244223
Energy: 0.32308378878496047
Energy: 0.36402218202400016
Energy: 0.3230837887862268
Energy: 0.36402218202400016
Energy: 0.32308378878496047
Energy: 0.3733323307180997
Energy: 0.3393198218088038
Energy: 0.3733323307180997
Energy: 0.339319821809226
Energy: 0.3733323307180997
Energy: 0.3393198218088038
Energy: 0.312637115865782
Energy: 0.2974255813735742
Energy: 0.312637115865782
Energy: 0.2974255813735742
Energy: 0.31263711586535997
Energy: 0.2974255813735742
Energy: 0.3521818550077595
Energy: 0.33554876965115654
Energy: 0.3521818550077595
Energy: 0.3355487696515787
Energy: 0.35218185500733734
Energy: 0.3355487696515787

minimum gb energy = 0.2953661200239486 eV
minimum distance =  2.66491139314047 Angstroms
sigma value = 67


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

Energy: 0.41564444234478704
Energy: 0.36715987923589477
Energy: 0.41564444234478704
Energy: 0.3671598792352933
Energy: 0.41564444234478704
Energy: 0.3671598792352933
Energy: 0.36643722536084555
Energy: 0.36951019469358937
Energy: 0.36643722536084555
Energy: 0.36951019469358937
Energy: 0.3664372253596427
Energy: 0.36951019469358937
Energy: 0.438660277398893
Energy: 0.37141322216861816
Energy: 0.43866027739769015
Energy: 0.37141322216921957
Energy: 0.4088169062565046
Energy: 0.37141322216921957
Energy: 0.39941772219554234
Energy: 0.3597177876537721
Energy: 0.39941772219554234
Energy: 0.3597177876537721
Energy: 0.3994177221961438
Energy: 0.3597177876537721
Energy: 0.3650654789805397
Energy: 0.36047349052457484
Energy: 0.3650654789805397
Energy: 0.36047349052457484
Energy: 0.3650654789805397
Energy: 0.36047349052397337
Energy: 0.3945770338414689
Energy: 0.4000520423009174
Energy: 0.3945770338420704
Energy: 0.4000520423009174
Energy: 0.39457703384026604
Energy: 0.4000520423009174
Energy: 0.39664724915400873
Energy: 0.3793437493630364
Energy: 0.39664724915461014
Energy: 0.379343749362435
Energy: 0.39664724915461014
Energy: 0.379343749362435
Energy: 0.3842286326328019
Energy: 0.3586770819174827
Energy: 0.3842286326328019
Energy: 0.3586770819174827
Energy: 0.3842286326328019
Energy: 0.3586770819174827
Energy: 0.40812834119037106
Energy: 0.42381543633250923
Energy: 0.40812834119037106
Energy: 0.42381543633250923
Energy: 0.40812834119097247
Energy: 0.42381543633250923
Energy: 0.3436461919893128
Energy: 0.36743883064543964
Energy: 0.3436461919899142
Energy: 0.36743883064543964
Energy: 0.3436461919893128
Energy: 0.36743883064543964
Energy: 0.3926495850781393
Energy: 0.3922800912699863
Energy: 0.39264958507874076
Energy: 0.3922800912699863
Energy: 0.3926495850781393
Energy: 0.3922800912699863
Energy: 0.3635796190564774
Energy: 0.398255634649978
Energy: 0.3635796190570788
Energy: 0.398255634649978
Energy: 0.3635796190564774
Energy: 0.3982556346493765
Energy: 0.36567413631746754
Energy: 0.390979415706002
Energy: 0.3656741363168662
Energy: 0.390979415706002
Energy: 0.36567413631746754
Energy: 0.390979415706002
Energy: 0.3658561737720795
Energy: 0.40536065277180144
Energy: 0.3658561737708766
Energy: 0.40536065277180144
Energy: 0.3658561737720795
Energy: 0.40536065277180144
Energy: 0.36942545194673887
Energy: 0.3634384338028849
Energy: 0.36942545194673887
Energy: 0.3634384338028849
Energy: 0.36942545194673887
Energy: 0.3634384338028849
Energy: 0.36701023411420614
Energy: 0.3844242096195486
Energy: 0.36701023411480754
Energy: 0.3844242096201501
Energy: 0.36701023411841627
Energy: 0.3844242096195486
Energy: 0.36549008024781804
Energy: 0.40454947306385763
Energy: 0.36549008024781804
Energy: 0.40454947306385763
Energy: 0.36549008024781804
Energy: 0.40454947306325617
Energy: 0.3741913425365667
Energy: 0.36217037803997554
Energy: 0.3741913425365667
Energy: 0.36217037803997554
Energy: 0.3741913425365667
Energy: 0.36217037803997554
Energy: 0.36847040891517757
Energy: 0.40765760244071136
Energy: 0.3684704089145762
Energy: 0.40765760244071136
Energy: 0.3684704089133733
Energy: 0.40765760244071136
Energy: 0.37395164858094837
Energy: 0.3503070018967667
Energy: 0.37395164858034696
Energy: 0.3503070018967667
Energy: 0.3739516485815498
Energy: 0.3503070018967667
Energy: 0.4150897599148628
Energy: 0.36703025168725933
Energy: 0.4150897599148628
Energy: 0.36703025168725933
Energy: 0.41508975991606567
Energy: 0.36703025168725933
Energy: 0.41245680314538546
Energy: 0.4013539616304375
Energy: 0.41245680314538546
Energy: 0.4013539616304375
Energy: 0.41245680314478406
Energy: 0.40135396163103904
Energy: 0.36817216062144065
Energy: 0.34923221605412275
Energy: 0.3681721606220421
Energy: 0.34923221605412275
Energy: 0.36817216062144065
Energy: 0.34923221605412275

minimum gb energy = 0.3436461919893128 eV
minimum distance =  2.69440541368688 Angstroms
sigma value = 33


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

Energy: 0.42927294585558046
Energy: 0.3724084271928993
Energy: 0.4292729458551988
Energy: 0.3724084271928993
Energy: 0.42927294585558046
Energy: 0.37240842719328093
Energy: 0.3838742038391815
Energy: 0.3965134343032153
Energy: 0.38387420383956306
Energy: 0.3965134343032153
Energy: 0.38387420383956306
Energy: 0.3965134343035968
Energy: 0.4322476963519881
Energy: 0.3968445237026777
Energy: 0.4322476963519881
Energy: 0.3968445237030593
Energy: 0.4322476963523696
Energy: 0.3968445237030593
Energy: 0.42747974778586934
Energy: 0.3800324969306125
Energy: 0.42747974778472475
Energy: 0.380032496930994
Energy: 0.42747974778586934
Energy: 0.3800324969306125
Energy: 0.4078496341452805
Energy: 0.39666309320754284
Energy: 0.4078496341452805
Energy: 0.39666309320754284
Energy: 0.4078496341452805
Energy: 0.39666309320754284
Energy: 0.4381050790676688
Energy: 0.4574768921278753
Energy: 0.4381050790684319
Energy: 0.4574768921278753
Energy: 0.43810507906690566
Energy: 0.4574768921282568
Energy: 0.3848107417998031
Energy: 0.4149269057227915
Energy: 0.38481074179904
Energy: 0.4149269057227915
Energy: 0.3848107417994216
Energy: 0.41492690572241003
Energy: 0.4197329432762298
Energy: 0.42085378159737696
Energy: 0.4197329432743221
Energy: 0.42085378159699544
Energy: 0.41973294327546673
Energy: 0.42085378159737696
Energy: 0.39547575056849993
Energy: 0.43371843343730365
Energy: 0.3954757505677368
Energy: 0.43371843343654054
Energy: 0.39547575056849993
Energy: 0.43371843343615896
Energy: 0.39959853462211015
Energy: 0.39888728401104556
Energy: 0.39959853461982087
Energy: 0.39888728401104556
Energy: 0.3995985346224916
Energy: 0.39888728401104556
Energy: 0.4006791452071542
Energy: 0.423164845442277
Energy: 0.40067914520791725
Energy: 0.4231648454426586
Energy: 0.40067914520791725
Energy: 0.423164845442277
Energy: 0.3967832892151259
Energy: 0.3937499870051321
Energy: 0.39678328921550743
Energy: 0.3937499870051321
Energy: 0.3967832892151259
Energy: 0.3937499870051321
Energy: 0.4346944016963181
Energy: 0.3758378852897973
Energy: 0.43469440169555507
Energy: 0.37583788529017875
Energy: 0.43469440169669965
Energy: 0.37583788529017875
Energy: 0.3949977002314657
Energy: 0.4197407402107888
Energy: 0.3949977002310841
Energy: 0.4197407402104073
Energy: 0.3949977002310841
Energy: 0.4197407402107888
Energy: 0.4013674469511497
Energy: 0.3987725007174986
Energy: 0.40136744695000504
Energy: 0.3987725007174986
Energy: 0.4013674469503867
Energy: 0.3987725007174986
Energy: 0.4273759717333262
Energy: 0.4259024716836166
Energy: 0.4273759717337077
Energy: 0.4259024716836166
Energy: 0.4273759717329446
Energy: 0.42590247168399814
Energy: 0.40533634245134004
Energy: 0.3840825594705195
Energy: 0.40533634245134004
Energy: 0.3840825594697565
Energy: 0.40533634245134004
Energy: 0.3840825594709011
Energy: 0.44319044667511054
Energy: 0.4213238246699246
Energy: 0.44319044667549207
Energy: 0.4213238246695431
Energy: 0.44319044667511054
Energy: 0.4213238246695431
Energy: 0.3843231506685547
Energy: 0.42463132251557
Energy: 0.3843231506689362
Energy: 0.42463132251900393
Energy: 0.3843231506685547
Energy: 0.42463132251366226
Energy: 0.4193355273688739
Energy: 0.3945465930630674
Energy: 0.4193355273696369
Energy: 0.39454659306268586
Energy: 0.4193355273688739
Energy: 0.39454659306268586
Energy: 0.4263855652592662
Energy: 0.42735950490073155
Energy: 0.4263855652596477
Energy: 0.42735950490073155
Energy: 0.4263855652592662
Energy: 0.42735950490073155
Energy: 0.4032085960439137
Energy: 0.38382219382177535
Energy: 0.40320859604543985
Energy: 0.3838221938213938
Energy: 0.40320859604543985
Energy: 0.3838221938213938
Energy: 0.39576307025423957
Energy: 0.42318334227568355
Energy: 0.39576307025462115
Energy: 0.42318334227568355
Energy: 0.39576307025423957
Energy: 0.4231833422753021
Energy: 0.41378436098994836
Energy: 0.3926195625922503
Energy: 0.4137843609891853
Energy: 0.3926195625926318
Energy: 0.41378436098994836
Energy: 0.3926195625926318
Energy: 0.3942231327946528
Energy: 0.3924360027533741
Energy: 0.39422313279427124
Energy: 0.3924360027537556
Energy: 0.39422313279503435
Energy: 0.3924360027537556
Energy: 0.4006389533082404
Energy: 0.4203788792279066
Energy: 0.4006389533082404
Energy: 0.42037887922752504
Energy: 0.4006389533086219
Energy: 0.4203788792279066
Energy: 0.38493637808872566
Energy: 0.3826845747847231
Energy: 0.38493637808872566
Energy: 0.3826845747847231
Energy: 0.384936378087581
Energy: 0.3826845747847231
Energy: 0.42499948097154033
Energy: 0.44080232869688957
Energy: 0.4249994809707773
Energy: 0.44080232869688957
Energy: 0.4249994809707773
Energy: 0.46261132463124677
Energy: 0.4208389179124818
Energy: 0.3967085130994488
Energy: 0.42083891791324485
Energy: 0.3967085130994488
Energy: 0.4208389179117187
Energy: 0.3967085130994488
Energy: 0.3866858698284647
Energy: 0.4166524828831053
Energy: 0.3866858698292278
Energy: 0.4166524828831053
Energy: 0.3866858698284647
Energy: 0.4166524828831053
Energy: 0.43811737251514205
Energy: 0.4485811731413329
Energy: 0.43811737251552363
Energy: 0.4485811731413329
Energy: 0.43811737251552363
Energy: 0.4485811731413329
Energy: 0.4072756566045861
Energy: 0.3944155121917183
Energy: 0.4072756566045861
Energy: 0.3944155121917183
Energy: 0.40727565660382303
Energy: 0.3944155121917183
Energy: 0.4168108946980928
Energy: 0.434711629317131
Energy: 0.4168108946984744
Energy: 0.434711629317131
Energy: 0.4168108946977112
Energy: 0.43471162931674945
Energy: 0.41064721004052485
Energy: 0.39646401571687706
Energy: 0.41064721004014326
Energy: 0.39646401571649553
Energy: 0.41064721004090643
Energy: 0.39646401571649553
Energy: 0.39324679942942725
Energy: 0.39685627088854364
Energy: 0.3932467994298087
Energy: 0.39685627088930675
Energy: 0.3932467994298087
Energy: 0.39685627088854364
Energy: 0.43435637704985763
Energy: 0.3732646866126259
Energy: 0.4343563770506207
Energy: 0.3732646866126259
Energy: 0.43435637704985763
Energy: 0.3732646866126259
Energy: 0.3842059433639318
Energy: 0.39548984821602756
Energy: 0.3842059433639318
Energy: 0.39548984821640915
Energy: 0.3842059433631687
Energy: 0.39548984821640915

minimum gb energy = 0.3724084271928993 eV
minimum distance =  2.62735625137554 Angstroms
sigma value = 41


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

Energy: 0.45667365100001217
Energy: 0.430799428801883
Energy: 0.45667365100001217
Energy: 0.430799428801883
Energy: 0.45667365100105395
Energy: 0.430799428801883
Energy: 0.43804165135529255
Energy: 0.4474644022615337
Energy: 0.43804165135529255
Energy: 0.4474644022615337
Energy: 0.43804165135529255
Energy: 0.4474644022615337
Energy: 0.5169382659651153
Energy: 0.44929977901832013
Energy: 0.49770634600019853
Energy: 0.44929977901832013
Energy: 0.49770634600019853
Energy: 0.44929977901832013
Energy: 0.45184627648089937
Energy: 0.4868836646014812
Energy: 0.45184627648089937
Energy: 0.4868836646014812
Energy: 0.45184627647985764
Energy: 0.4868836646025229
Energy: 0.4762541965506782
Energy: 0.4422085288494593
Energy: 0.4762541965506782
Energy: 0.4422085288494593
Energy: 0.4762541965506782
Energy: 0.4422085288494593
Energy: 0.479620859066033
Energy: 0.47064432174422305
Energy: 0.479620859066033
Energy: 0.4706443217431812
Energy: 0.479620859066033
Energy: 0.4706443217452647
Energy: 0.462546728978876
Energy: 0.42840082337405255
Energy: 0.4625467289799178
Energy: 0.42840082337405255
Energy: 0.4625467289799178
Energy: 0.42840082337405255
Energy: 0.4527607783163975
Energy: 0.4568992209801371
Energy: 0.4527607783163975
Energy: 0.4568992209801371
Energy: 0.4527607783163975
Energy: 0.4568992209801371
Energy: 0.44581200093348844
Energy: 0.4238741278974279
Energy: 0.44581200093348844
Energy: 0.4238741278974279
Energy: 0.44581200093453016
Energy: 0.4238741278974279
Energy: 0.46202275321102426
Energy: 0.43253016335646943
Energy: 0.462022753212066
Energy: 0.43253016335646943
Energy: 0.46202275321102426
Energy: 0.43253016335646943
Energy: 0.4404677744008621
Energy: 0.44918440264875803
Energy: 0.4404677744008621
Energy: 0.44918440264875803
Energy: 0.4404677744008621
Energy: 0.44918440264875803
Energy: 0.46932237525000464
Energy: 0.4472515169008598
Energy: 0.46932237525000464
Energy: 0.4472515169008598
Energy: 0.46932237525000464
Energy: 0.4472515169008598
Energy: 0.49858155764076184
Energy: 0.4893956365568256
Energy: 0.49858155764076184
Energy: 0.4893956365568256
Energy: 0.49858155763972
Energy: 0.4893956365568256
Energy: 0.5034060563550401
Energy: 0.44593387651166133
Energy: 0.5034060563550401
Energy: 0.44593387651166133
Energy: 0.5034060563550401
Energy: 0.44593387651166133

minimum gb energy = 0.4238741278974279 eV
minimum distance =  2.63090178155717 Angstroms
sigma value = 11


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

Energy: 0.5181463984970502
Energy: 0.49286266680538954
Energy: 0.5181463984970502
Energy: 0.49286266680538954
Energy: 0.5181463984975079
Energy: 0.49286266680538954
Energy: 0.5076498859679222
Energy: 0.5002322684346617
Energy: 0.5076498859674646
Energy: 0.5002322684351194
Energy: 0.5076498859674646
Energy: 0.5002322684346617
Energy: 0.4943937068482977
Energy: 0.5008519688996997
Energy: 0.49439370684784006
Energy: 0.5008519688996997
Energy: 0.4943937068482977
Energy: 0.5008519688996997
Energy: 0.5174496538029674
Energy: 0.4750805676754991
Energy: 0.5174496538029674
Energy: 0.4750805676754991
Energy: 0.5174496538025097
Energy: 0.4750805676754991
Energy: 0.5020057941712815
Energy: 0.5062279173957893
Energy: 0.5020057941708239
Energy: 0.506227917396247
Energy: 0.5020057941708239
Energy: 0.5062279173957893
Energy: 0.48351812697939855
Energy: 0.5157296829698299
Energy: 0.48351812697939855
Energy: 0.5157296829698299
Energy: 0.48351812697939855
Energy: 0.5157296829698299
Energy: 0.507323544707608
Energy: 0.47752230090737174
Energy: 0.507323544707608
Energy: 0.47752230090691405
Energy: 0.5073235447071504
Energy: 0.47752230090737174
Energy: 0.4952664607432382
Energy: 0.49110177752752915
Energy: 0.4952664607432382
Energy: 0.49110177752752915
Energy: 0.4952664607427805
Energy: 0.49110177752752915
Energy: 0.49526007162164964
Energy: 0.491310778708515
Energy: 0.49526007162164964
Energy: 0.4913107787080574
Energy: 0.49526007162164964
Energy: 0.491310778708515
Energy: 0.5031469794317528
Energy: 0.5097497801010613
Energy: 0.5031469794317528
Energy: 0.5097497801015188
Energy: 0.5031469794322104
Energy: 0.5097497801015188
Energy: 0.48188839571524833
Energy: 0.5070068424644778
Energy: 0.48188839571524833
Energy: 0.5070068424644778
Energy: 0.48188839571524833
Energy: 0.5070068424649354
Energy: 0.49901424072170825
Energy: 0.520525824848293
Energy: 0.49901424072125056
Energy: 0.5205258248487508
Energy: 0.49901424072170825
Energy: 0.520525824848293
Energy: 0.5176276839783942
Energy: 0.5033219653714037
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Energy: 0.4725580548479282
Energy: 0.5160625210126869
Energy: 0.47255805484884345
Energy: 0.5160625210131445
Energy: 0.47255805484884345
Energy: 0.5160625210126869
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Energy: 0.48800407121213046
Energy: 0.48748823634809774
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Energy: 0.4880040712125881
Energy: 0.5070504755458871
Energy: 0.47706473917800357
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Energy: 0.4856336672765504
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Energy: 0.5216931028939018
Energy: 0.5192979232497043
Energy: 0.5216931028943596
Energy: 0.5192979232497043
Energy: 0.5216931028943596
Energy: 0.5192979232497043
Energy: 0.4883941751821703
Energy: 0.47453847749268285
Energy: 0.4883941751821703
Energy: 0.47453847749268285
Energy: 0.4883941751817127
Energy: 0.47453847749268285
Energy: 0.5023860487996831
Energy: 0.5009559184654581
Energy: 0.5023860487996831
Energy: 0.5009559184654581
Energy: 0.5023860488001408
Energy: 0.5009559184654581
Energy: 0.47562735499064196
Energy: 0.48822461159386643
Energy: 0.47562735499064196
Energy: 0.48822461159386643
Energy: 0.47562735499109965
Energy: 0.48822461159386643
Energy: 0.5245813295832887
Energy: 0.49684665950433876
Energy: 0.5245813295828311
Energy: 0.49684665950433876
Energy: 0.5245813295828311
Energy: 0.49684665950433876
Energy: 0.49222313430722375
Energy: 0.5013366639380835
Energy: 0.49222313430722375
Energy: 0.5013366639380835
Energy: 0.49222313430722375
Energy: 0.5013366639380835
Energy: 0.5176366952709313
Energy: 0.5005594525811332
Energy: 0.5176366952713889
Energy: 0.5005594525815908
Energy: 0.5176366952709313
Energy: 0.5005594525811332
Energy: 0.49660324631708347
Energy: 0.4908697977535118
Energy: 0.49660324631662583
Energy: 0.4908697977535118
Energy: 0.49660324631708347
Energy: 0.4908697977535118
Energy: 0.47793778901362344
Energy: 0.5115272938986298
Energy: 0.47793778901362344
Energy: 0.5115272938986298
Energy: 0.47793778901408107
Energy: 0.5115272938986298
Energy: 0.48721948508130275
Energy: 0.48137855764722676
Energy: 0.4872194850817604
Energy: 0.48137855764722676
Energy: 0.48721948508130275
Energy: 0.48137855764768434
Energy: 0.5037534475523939
Energy: 0.4942575955837917
Energy: 0.5037534475523939
Energy: 0.4942575955837917
Energy: 0.5037534475523939
Energy: 0.4942575955837917
Energy: 0.47217908851144835
Energy: 0.5119795787838649
Energy: 0.47217908851144835
Energy: 0.5119795787838649
Energy: 0.472179088511906
Energy: 0.5119795787838649
Energy: 0.4868492527559051
Energy: 0.4698351309677534
Energy: 0.4868492527554475
Energy: 0.4698351309682111
Energy: 0.4868492527559051
Energy: 0.4698351309677534
Energy: 0.5114062503402909
Energy: 0.5090061500443008
Energy: 0.5114062503402909
Energy: 0.5090061500443008
Energy: 0.5114062503402909
Energy: 0.5090061500443008

minimum gb energy = 0.4698351309677534 eV
minimum distance =  2.57873506637718 Angstroms
sigma value = 57


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

Energy: 0.48744175215154334
Energy: 0.4562462144489118
Energy: 0.48744175215235763
Energy: 0.4562462144489118
Energy: 0.48744175215154334
Energy: 0.4562462144489118
Energy: 0.4966482195068804
Energy: 0.5343134805319513
Energy: 0.4966482195068804
Energy: 0.5343134805319513
Energy: 0.4966482195068804
Energy: 0.5343134805295082
Energy: 0.497669825990291
Energy: 0.5075190261360425
Energy: 0.497669825990291
Energy: 0.5075190261360425
Energy: 0.497669825990291
Energy: 0.5075190261360425
Energy: 0.49933324300734344
Energy: 0.5656351337496291
Energy: 0.49933324300734344
Energy: 0.473963692056806
Energy: 0.49933324300734344
Energy: 0.473963692056806
Energy: 0.49767174366304867
Energy: 0.5075054685617022
Energy: 0.49767174366304867
Energy: 0.5075054685617022
Energy: 0.49767174366304867
Energy: 0.5075054685617022
Energy: 0.4966392288149513
Energy: 0.4793028240430436
Energy: 0.4966392288157657
Energy: 0.4793028240430436
Energy: 0.4966392288149513
Energy: 0.4793028240430436
Energy: 0.48744175215072894
Energy: 0.4562462144464687
Energy: 0.48744175215154334
Energy: 0.4562462144472831
Energy: 0.48744175215072894
Energy: 0.4562462144464687
Energy: 0.4966482195068804
Energy: 0.5343134805319513
Energy: 0.4966482195068804
Energy: 0.5343134805319513
Energy: 0.4966482195068804
Energy: 0.5343134805295082
Energy: 0.497669825990291
Energy: 0.5075190261368568
Energy: 0.497669825990291
Energy: 0.5075190261368568
Energy: 0.4976698259894767
Energy: 0.5075190261368568
Energy: 0.4993332430049004
Energy: 0.5779680287867343
Energy: 0.4993332430041045
Energy: 0.47396369205762034
Energy: 0.4993332430049004
Energy: 0.47396369205762034
Energy: 0.4976717436638631
Energy: 0.5075054685617022
Energy: 0.4976717436638631
Energy: 0.5075054685608877
Energy: 0.4976717436638631
Energy: 0.5075054685608877
Energy: 0.4966392288149513
Energy: 0.47930282404383934
Energy: 0.4966392288149513
Energy: 0.47930282404383934
Energy: 0.496639228814137
Energy: 0.47930282404383934
Energy: 0.48744175215154334
Energy: 0.4562462144489118
Energy: 0.48744175215235763
Energy: 0.4562462144489118
Energy: 0.48744175215154334
Energy: 0.4562462144489118
Energy: 0.49664821950606597
Energy: 0.5343134805319513
Energy: 0.49664821950606597
Energy: 0.5343134805319513
Energy: 0.4966482195068804
Energy: 0.5343134805311369
Energy: 0.497669825990291
Energy: 0.5075190261360425
Energy: 0.497669825990291
Energy: 0.5075190261360425
Energy: 0.497669825990291
Energy: 0.5075190261360425
Energy: 0.49933324300734344
Energy: 0.5289335569784966
Energy: 0.49933324300652904
Energy: 0.5165644600994383
Energy: 0.49933324300734344
Energy: 0.5165644600994383
Energy: 0.49767174366304867
Energy: 0.5075054685617022
Energy: 0.49767174366304867
Energy: 0.5075054685617022
Energy: 0.49767174366304867
Energy: 0.5075054685617022

minimum gb energy = 0.4562462144464687 eV
minimum distance =  2.62119747202688 Angstroms
sigma value = 9


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

Energy: 0.48918227563705785
Energy: 0.5153442069554408
Energy: 0.48918227563705785
Energy: 0.5153442069554408
Energy: 0.4891822756377228
Energy: 0.5153442069554408
Energy: 0.5238594089014216
Energy: 0.5225571463736919
Energy: 0.5238594089014216
Energy: 0.522557146373027
Energy: 0.5238594089014216
Energy: 0.5225571463736919
Energy: 0.5099356027360483
Energy: 0.4940226187562337
Energy: 0.48883565330466866
Energy: 0.49402261875889336
Energy: 0.48883565330466866
Energy: 0.494022618759528
Energy: 0.49190640337849173
Energy: 0.5716523063561391
Energy: 0.4919064033791566
Energy: 0.5716523063561391
Energy: 0.4919064033791566
Energy: 0.5716523063561391
Energy: 0.5201897742614922
Energy: 0.5049979345775327
Energy: 0.5201897742608272
Energy: 0.5049979345775327
Energy: 0.5201897742621571
Energy: 0.5049979345775327
Energy: 0.5521095958416146
Energy: 0.5100813193181055
Energy: 0.5521095958422796
Energy: 0.5100813193181055
Energy: 0.5521095958422796
Energy: 0.5100813193187704
Energy: 0.4867012879753241
Energy: 0.49836641376004337
Energy: 0.4867012879746591
Energy: 0.49836641376004337
Energy: 0.48670128797598894
Energy: 0.49836641376004337
Energy: 0.5329638724804653
Energy: 0.4984627314097386
Energy: 0.5329638724798004
Energy: 0.49846273140907366
Energy: 0.5329638724804653
Energy: 0.49846273140907366
Energy: 0.5628913548438569
Energy: 0.49155380441032975
Energy: 0.5628913548438569
Energy: 0.4915538044096648
Energy: 0.5628913548438569
Energy: 0.4915538044096648
Energy: 0.47594063311228835
Energy: 0.4859210140094487
Energy: 0.47594063311361823
Energy: 0.4859210140094487
Energy: 0.47594063311228835
Energy: 0.4859210140094487
Energy: 0.501632832141966
Energy: 0.5103850102874189
Energy: 0.501632832141966
Energy: 0.5103850102860891
Energy: 0.501632832141966
Energy: 0.510385010286754
Energy: 0.5160369507540888
Energy: 0.4815888042772875
Energy: 0.5160369507547536
Energy: 0.4815888042766226
Energy: 0.5160369507547536
Energy: 0.4815888042772875
Energy: 0.5117671727309298
Energy: 0.5753433910924264
Energy: 0.5117671727302648
Energy: 0.5753433910924264
Energy: 0.5117671727309298
Energy: 0.5753433910924264
Energy: 0.491449772093655
Energy: 0.491426483473686
Energy: 0.491449772093655
Energy: 0.491426483473686
Energy: 0.49144977209431984
Energy: 0.491426483473686
Energy: 0.5372951674946654
Energy: 0.49753928947824116
Energy: 0.5372951674953304
Energy: 0.4975392894789061
Energy: 0.5372951674946654
Energy: 0.49753928947824116
Energy: 0.5191702022232115
Energy: 0.513994477251592
Energy: 0.5191702022218816
Energy: 0.513994477251592
Energy: 0.5191702022225465
Energy: 0.513994477251592
Energy: 0.5101387328959073
Energy: 0.5140975995731187
Energy: 0.5101387328965722
Energy: 0.5140975995737836
Energy: 0.5101387328965722
Energy: 0.5140975995737836
Energy: 0.5532835023527491
Energy: 0.4972598720112907
Energy: 0.5532835023527491
Energy: 0.49725987201062577
Energy: 0.5532835023527491
Energy: 0.49725987201062577
Energy: 0.5027504162951988
Energy: 0.48932680260253747
Energy: 0.5027504162965286
Energy: 0.48932680260253747
Energy: 0.5027504162951988
Energy: 0.48932680260253747
Energy: 0.49604037378594956
Energy: 0.500816017372822
Energy: 0.4960403737852847
Energy: 0.5008160173721571
Energy: 0.49604037378594956
Energy: 0.500816017373487
Energy: 0.5164270485688814
Energy: 0.48196026691953575
Energy: 0.5164270485688814
Energy: 0.48196026692020066
Energy: 0.5164270485688814
Energy: 0.48196026692020066

minimum gb energy = 0.47594063311228835 eV
minimum distance =  2.59542674374303 Angstroms
sigma value = 27


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

Energy: 0.4272222245393799
Energy: 0.48433775640034726
Energy: 0.42722222453881936
Energy: 0.48433775640034726
Energy: 0.4272222245399404
Energy: 0.4843377563997867
Energy: 0.4672215504483403
Energy: 0.44239812948710666
Energy: 0.46722155044890074
Energy: 0.44239812948374374
Energy: 0.46722155044890074
Energy: 0.44239812948766716
Energy: 0.4692308223279775
Energy: 0.4354129463244547
Energy: 0.469230822329659
Energy: 0.43541294632557564
Energy: 0.4692308223285381
Energy: 0.43541294632501515
Energy: 0.42735436058421367
Energy: 0.4670660736894226
Energy: 0.42735436057916937
Energy: 0.46706607369334596
Energy: 0.42735436058085075
Energy: 0.4670660736871807
Energy: 0.4422756990161878
Energy: 0.46645333181797183
Energy: 0.4422756990161878
Energy: 0.4664533318190928
Energy: 0.4422756990161878
Energy: 0.466453331813488
Energy: 0.4854385211890454
Energy: 0.42938435445508294
Energy: 0.4854385211873639
Energy: 0.42938435445508294
Energy: 0.48543852118960584
Energy: 0.4293843544556434
Energy: 0.44247022596124724
Energy: 0.46454257054251546
Energy: 0.44247022596068675
Energy: 0.46454257054251546
Energy: 0.44247022596180774
Energy: 0.46454257054251546
Energy: 0.46860723542847005
Energy: 0.46712282717175907
Energy: 0.4686072354273491
Energy: 0.46712282717175907
Energy: 0.46860723542790955
Energy: 0.46712282717175907
Energy: 0.4664678237036389
Energy: 0.4295379336044071
Energy: 0.4664678237030784
Energy: 0.4295379336044071
Energy: 0.4664678237030784
Energy: 0.4295379336044071
Energy: 0.4273678355038126
Energy: 0.4647548534188502
Energy: 0.4273678355026916
Energy: 0.4647548534188502
Energy: 0.42736783550493357
Energy: 0.4647548534188502
Energy: 0.42729982366645636
Energy: 0.46477086964457665
Energy: 0.42729982366645636
Energy: 0.46477086964513714
Energy: 0.4272998236647749
Energy: 0.46477086964513714
Energy: 0.46647312348300946
Energy: 0.42953878102146287
Energy: 0.46647312348300946
Energy: 0.42953878102146287
Energy: 0.46647312348300946
Energy: 0.42953878102090237
Energy: 0.46862867288137094
Energy: 0.46719693024500136
Energy: 0.46862867288081045
Energy: 0.46719693024444103
Energy: 0.46862867288137094
Energy: 0.46719693024444103
Energy: 0.4425563013934554
Energy: 0.4644921027465868
Energy: 0.44255630139625785
Energy: 0.4644921027465868
Energy: 0.44255630139737884
Energy: 0.4644921027465868
Energy: 0.4852622580949784
Energy: 0.4293985115257587
Energy: 0.4852622580938574
Energy: 0.42939851152519826
Energy: 0.48526225809609935
Energy: 0.42939851152519826
Energy: 0.44218103507029416
Energy: 0.46661205924097016
Energy: 0.4421810350708546
Energy: 0.4666120592448935
Energy: 0.44218103506973366
Energy: 0.466612059245989
Energy: 0.427427044548299
Energy: 0.4671029302702144
Energy: 0.4274270445460571
Energy: 0.4671029302696538
Energy: 0.4274270445449361
Energy: 0.46710293026460964
Energy: 0.4692097073930366
Energy: 0.43539860943867253
Energy: 0.4692097073935971
Energy: 0.4353986094403539
Energy: 0.4692097073902342
Energy: 0.4353986094425959
Energy: 0.46720461218380227
Energy: 0.44244223082975714
Energy: 0.46720461218380227
Energy: 0.4424422308258338
Energy: 0.46720461218324183
Energy: 0.44244223082639433
Energy: 0.42722222454050085
Energy: 0.4843377563997867
Energy: 0.42722222453881936
Energy: 0.4843377563997867
Energy: 0.42722222453881936
Energy: 0.4843377563997867
Energy: 0.4672215504483403
Energy: 0.44239812948430424
Energy: 0.46722155044890074
Energy: 0.4423981294859857
Energy: 0.46722155044890074
Energy: 0.4423981294798205
Energy: 0.4692308223290985
Energy: 0.43541294632501515
Energy: 0.4692308223285381
Energy: 0.4354129463244547
Energy: 0.4692308223285381
Energy: 0.4354129463227733
Energy: 0.4273543605769274
Energy: 0.4670660736866202
Energy: 0.42735436058197174
Energy: 0.46706607368213643
Energy: 0.4273543605825323
Energy: 0.46706607368381786
Energy: 0.44227569901674835
Energy: 0.4664533318174114
Energy: 0.4422756990161878
Energy: 0.46645333181404847
Energy: 0.44227569901562735
Energy: 0.46645333181460896
Energy: 0.4854385211873639
Energy: 0.42938435445508294
Energy: 0.4854385211890454
Energy: 0.42938435445508294
Energy: 0.4854385211890454
Energy: 0.42938435445508294

minimum gb energy = 0.42722222453881936 eV
minimum distance =  2.63395900462501 Angstroms
sigma value = 19


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

Energy: 0.43585146979381434
Energy: 0.5323973154275199
Energy: 0.43585146979381434
Energy: 0.5323973154275199
Energy: 0.43585146979381434
Energy: 0.5323973154275199
Energy: 0.4814839814061129
Energy: 0.4308608679143102
Energy: 0.4814839814061129
Energy: 0.43086086791527783
Energy: 0.48148398140562915
Energy: 0.430860867914794
Energy: 0.5070286203185294
Energy: 0.4229400201604806
Energy: 0.5070286203185294
Energy: 0.4229400201599969
Energy: 0.5070286203190132
Energy: 0.4229400201599969
Energy: 0.4190831329496955
Energy: 0.5056339125430062
Energy: 0.4190831329496955
Energy: 0.5056339125430062
Energy: 0.4190831329492118
Energy: 0.5056339125430062
Energy: 0.4198097962294151
Energy: 0.4779755545215746
Energy: 0.4198097962303827
Energy: 0.4779755545215746
Energy: 0.41980979622844755
Energy: 0.4779755545215746
Energy: 0.501548261832125
Energy: 0.4214863466987895
Energy: 0.501548261832125
Energy: 0.4214863466983057
Energy: 0.5015482618326087
Energy: 0.4214863466983057
Energy: 0.4321418384226998
Energy: 0.5018261275955174
Energy: 0.4321418384217322
Energy: 0.5018261275950336
Energy: 0.4321418384226998
Energy: 0.5018261275955174
Energy: 0.43887397235704134
Energy: 0.5097400815238393
Energy: 0.43887397235849274
Energy: 0.5097400815238393
Energy: 0.4388739723575252
Energy: 0.5097400815238393
Energy: 0.5131178275734815
Energy: 0.41149175325987675
Energy: 0.5131178275734815
Energy: 0.41149175325987675
Energy: 0.5131178275734815
Energy: 0.41149175325987675
Energy: 0.4236675114388334
Energy: 0.4693184646549935
Energy: 0.4236675114349632
Energy: 0.4693184646554773
Energy: 0.4236675114398011
Energy: 0.4693184646554773
Energy: 0.41279770636613117
Energy: 0.548885986768701
Energy: 0.41279770636613117
Energy: 0.5488859867682173
Energy: 0.41279770636613117
Energy: 0.5488859867682173
Energy: 0.5041994623101003
Energy: 0.4203571686452551
Energy: 0.5041994623105841
Energy: 0.42035716864573885
Energy: 0.5041994623105841
Energy: 0.4203571686452551
Energy: 0.4557360125489904
Energy: 0.4463781604150079
Energy: 0.4557360125489904
Energy: 0.4463781604150079
Energy: 0.45573601254802276
Energy: 0.446378160414524
Energy: 0.4203131612434496
Energy: 0.5027519333349225
Energy: 0.4203131612429658
Energy: 0.5027519333349225
Energy: 0.4203131612429658
Energy: 0.5027519333349225
Energy: 0.47091236664328334
Energy: 0.4117139284151862
Energy: 0.47091236664328334
Energy: 0.4117139284151862
Energy: 0.47091236664328334
Energy: 0.4117139284151862
Energy: 0.5510296136172159
Energy: 0.4115865847771144
Energy: 0.5510296136176998
Energy: 0.4115865847775982
Energy: 0.5510296136167321
Energy: 0.4115865847775982
Energy: 0.42414878612574575
Energy: 0.5036094896682992
Energy: 0.42414878612574575
Energy: 0.5036094896658802
Energy: 0.4241487861262296
Energy: 0.5036094896673315
Energy: 0.4593716287950165
Energy: 0.42800007459395023
Energy: 0.45937162879453264
Energy: 0.42800007459733674
Energy: 0.45937162879453264
Energy: 0.4280000745958853
Energy: 0.5259820861441629
Energy: 0.420903503422124
Energy: 0.5259820861436791
Energy: 0.420903503422124
Energy: 0.5259820861431953
Energy: 0.420903503422124
Energy: 0.425328986970978
Energy: 0.4800998476457121
Energy: 0.425328986973397
Energy: 0.4800998476457121
Energy: 0.4253289869743645
Energy: 0.4800998476457121
Energy: 0.4106721631660906
Energy: 0.5217732953678333
Energy: 0.4106721631660906
Energy: 0.5217732953678333
Energy: 0.4106721631660906
Energy: 0.5217732953673494
Energy: 0.5157113539693345
Energy: 0.42224120829147693
Energy: 0.5157113539693345
Energy: 0.42224120829147693
Energy: 0.5157113539688507
Energy: 0.42224120829147693
Energy: 0.48649095721457586
Energy: 0.4614984173992526
Energy: 0.48649095721457586
Energy: 0.4614984173992526
Energy: 0.48649095721457586
Energy: 0.4614984173992526
Energy: 0.4355187024705491
Energy: 0.5294798784825548
Energy: 0.4355187024700653
Energy: 0.5294798784825548
Energy: 0.4355187024700653
Energy: 0.5294798784825548
Energy: 0.48136249888786603
Energy: 0.4222690018796897
Energy: 0.4813624988888116
Energy: 0.422269001881141
Energy: 0.4813624988888116
Energy: 0.422269001881141
Energy: 0.48227697660151286
Energy: 0.42603814952543806
Energy: 0.48227697660199664
Energy: 0.42603814952592184
Energy: 0.48227697660248053
Energy: 0.4260381495249543
Energy: 0.41127170702425003
Energy: 0.49701821305362687
Energy: 0.41127170702425003
Energy: 0.49701821305411076
Energy: 0.41127170702425003
Energy: 0.49701821305411076
Energy: 0.4908813382670371
Energy: 0.420979392207199
Energy: 0.4908813382670371
Energy: 0.42097939220478
Energy: 0.4908813382670371
Energy: 0.4209793922038125
Energy: 0.48921697668181197
Energy: 0.42091311805719744
Energy: 0.48921697668229575
Energy: 0.42091311805671355
Energy: 0.48921697668132813
Energy: 0.420913118055768

minimum gb energy = 0.4106721631660906 eV
minimum distance =  2.59883888516059 Angstroms
sigma value = 101


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

Energy: 0.412528563365331
Energy: 0.5070030976017953
Energy: 0.412528563365331
Energy: 0.5070030976017953
Energy: 0.4125285633657562
Energy: 0.5070030976017953
Energy: 0.41354180756636644
Energy: 0.4021755644695363
Energy: 0.41354180756721703
Energy: 0.402175564469111
Energy: 0.41354180756466524
Energy: 0.402175564469111
Energy: 0.5074260009721903
Energy: 0.4002775991257134
Energy: 0.5074260009717649
Energy: 0.4002775991257134
Energy: 0.5074260009717649
Energy: 0.4002775991257134
Energy: 0.3903730584136648
Energy: 0.6083614144888906
Energy: 0.3903730584136648
Energy: 0.535423012084463
Energy: 0.3903730584132395
Energy: 0.5354230120840378
Energy: 0.3981438876495073
Energy: 0.46021681964642697
Energy: 0.39814388764482916
Energy: 0.46021681964642697
Energy: 0.39814388764780606
Energy: 0.46021681964642697
Energy: 0.4993067860266751
Energy: 0.394476452087286
Energy: 0.4993067860262498
Energy: 0.394476452087286
Energy: 0.4993067860262498
Energy: 0.394476452087286
Energy: 0.4025386914517844
Energy: 0.521923351057484
Energy: 0.40253869145093385
Energy: 0.521923351057484
Energy: 0.4025386914517844
Energy: 0.521923351057484
Energy: 0.39512551116621514
Energy: 0.5133531708636885
Energy: 0.39512551116621514
Energy: 0.46675630360566794
Energy: 0.3951255111657898
Energy: 0.46675630360609327
Energy: 0.49779012067477557
Energy: 0.3950754206600599
Energy: 0.4977901206752008
Energy: 0.39507542065963464
Energy: 0.4977901206752008
Energy: 0.39507542065963464
Energy: 0.39819272585355303
Energy: 0.43512740691503204
Energy: 0.39819272585355303
Energy: 0.43512740691503204
Energy: 0.3981927258539783
Energy: 0.43512740691418145
Energy: 0.389050371483066
Energy: 0.5235061139006272
Energy: 0.389050371483066
Energy: 0.5235061139006272
Energy: 0.389050371483066
Energy: 0.5235061139006272
Energy: 0.5195220115424244
Energy: 0.4170069849925646
Energy: 0.5195220115419992
Energy: 0.4021556505291133
Energy: 0.5195220115419992
Energy: 0.40215565052656155
Energy: 0.4816143321923784
Energy: 0.399914383069833
Energy: 0.4816143321928037
Energy: 0.399914383069833
Energy: 0.4816143321923784
Energy: 0.3999143830694078
Energy: 0.4150141842509033
Energy: 0.5458794568083255
Energy: 0.4150141842504781
Energy: 0.5151768158308048
Energy: 0.4150141842504781
Energy: 0.5151768158303796
Energy: 0.41320868260352733
Energy: 0.4523572915340008
Energy: 0.4132086826018262
Energy: 0.4523572915344261
Energy: 0.41320868260225146
Energy: 0.4523572915344261
Energy: 0.4981325976589246
Energy: 0.401434206822513
Energy: 0.4981325976584993
Energy: 0.401434206822513
Energy: 0.4981325976584993
Energy: 0.401434206822513
Energy: 0.3896256989031796
Energy: 0.5243988922609191
Energy: 0.38962569890232907
Energy: 0.5243988922609191
Energy: 0.38962569890360493
Energy: 0.5243988922609191
Energy: 0.3891337448388523
Energy: 0.45967132713474296
Energy: 0.3891337448388523
Energy: 0.45967132713474296
Energy: 0.3891337448392776
Energy: 0.45967132713474296
Energy: 0.4983206513784353
Energy: 0.394745003107957
Energy: 0.49832065137928583
Energy: 0.394745003107957
Energy: 0.4983206513788606
Energy: 0.394745003107957
Energy: 0.40238627934932475
Energy: 0.3980941916508192
Energy: 0.40238627934932475
Energy: 0.3980941916478616
Energy: 0.40238627935017535
Energy: 0.3980941916482869
Energy: 0.39651988429009316
Energy: 0.5656612480883818
Energy: 0.3965198842892426
Energy: 0.565661248088807
Energy: 0.39651988428966795
Energy: 0.565661248088807
Energy: 0.5585140457669466
Energy: 0.3945587702363466
Energy: 0.558514045767372
Energy: 0.3945587702363466
Energy: 0.5585140457669466
Energy: 0.3945587702367718
Energy: 0.4595889089237831
Energy: 0.39433705596410573
Energy: 0.4595889089233578
Energy: 0.39433705596410573
Energy: 0.4595889089233578
Energy: 0.39433705596368046
Energy: 0.3902500294040405
Energy: 0.491889543517006
Energy: 0.3902500294031899
Energy: 0.491889543517006
Energy: 0.39025002940361525
Energy: 0.491889543517006
Energy: 0.4375503534103521
Energy: 0.41735262717717625
Energy: 0.43755035340567394
Energy: 0.41735262717802685
Energy: 0.4375503534082257
Energy: 0.41735262717717625
Energy: 0.5149469263597406
Energy: 0.4014632242398286
Energy: 0.5149469263593154
Energy: 0.4014632242398286
Energy: 0.5149469263593154
Energy: 0.4014632242398286
Energy: 0.4126170488947785
Energy: 0.5074164079161343
Energy: 0.4126170488947785
Energy: 0.5074164079165596
Energy: 0.41261704889520373
Energy: 0.5074164079165596
Energy: 0.41304361330400585
Energy: 0.46242645423812245
Energy: 0.4130436133048564
Energy: 0.46242645423812245
Energy: 0.41304361330570694
Energy: 0.46242645423812245
Energy: 0.49167001499919755
Energy: 0.3999354244305534
Energy: 0.49167001499919755
Energy: 0.3999354244305534
Energy: 0.4916700150000482
Energy: 0.3999354244305534
Energy: 0.3892268868138481
Energy: 0.4212839745542226
Energy: 0.38922688681299755
Energy: 0.4212839745495445
Energy: 0.38922688681299755
Energy: 0.4212839745537974
Energy: 0.38973042302515415
Energy: 0.5029207979839084
Energy: 0.3897304230247288
Energy: 0.5029207979843338
Energy: 0.38973042302430355
Energy: 0.5029207979843338
Energy: 0.5004666940046925
Energy: 0.39434539326333046
Energy: 0.5004666940046925
Energy: 0.39434539326333046
Energy: 0.5004666940046925
Energy: 0.39434539326375573
Energy: 0.4896710948235396
Energy: 0.3941779354653564
Energy: 0.48967109482439014
Energy: 0.39417793546493113
Energy: 0.4896710948235396
Energy: 0.3941779354653564

minimum gb energy = 0.389050371483066 eV
minimum distance =  2.61828043173147 Angstroms
sigma value = 33


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

Energy: 0.011673005433650713
Energy: 0.5992154363982413
Energy: 0.011673005433650713
Energy: 0.5992154363975541
Energy: 0.011673005433650713
Energy: 0.5992154363975541
Energy: 0.012259278791201329
Energy: 0.17554772373148167
Energy: 0.012259278791201329
Energy: 0.17554772373114794
Energy: 0.012259278791201329
Energy: 0.17554772373114794
Energy: 0.5896705573220714
Energy: 0.17486230232293734
Energy: 0.5896705573200102
Energy: 0.1748623023222503
Energy: 0.5896705573262134
Energy: 0.1748623023222503
Energy: 0.012259278789807548
Energy: 0.17554772373252212
Energy: 0.012259278790160899
Energy: 0.17554772373183503
Energy: 0.012259278789807548
Energy: 0.17554772373218838

minimum gb energy = 0.011673005433650713 eV
minimum distance =  2.83799270089817 Angstroms
sigma value = 1