Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Ag__MO_505250810900_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.089642539620402
cohesive_energy=2.8502237652528515
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[8.78438200536252e-20, 1.387832637373578e-19, 1.7995007082434398e-19, 2.1466763630649e-19, 2.45753067359358e-19, 2.74198111319394e-19, 2.99905035411924e-19, 3.22771300332372e-19, 3.4296673680394193e-19, 3.6076211267778e-19, 3.7642338927513e-19, 3.90176473501386e-19, 4.0221362655262796e-19, 4.1270307697542594e-19, 4.21790622843474e-19, 4.29609244817394e-19, 4.362759017914679e-19, 4.41886724363736e-19, 4.46520219189264e-19, 4.502340646268759e-19, 4.53068315092422e-19, 4.550598206484839e-19, 4.562342161212059e-19, 4.5662034069e-19, 4.562037747651599e-19, 4.54859548569234e-19, 4.52443466205162e-19, 4.4877768606657e-19, 4.435113314706119e-19, 4.36309547500782e-19, 4.26794220471456e-19, 4.1452955833818596e-19, 3.9899004716502e-19, 3.7954603153479592e-19, 3.5541725142675597e-19, 3.2562157256425796e-19, 2.88893275406442e-19, 2.43559687547412e-19, 1.87380966052836e-19, 1.173568749578856e-19, 2.94713983117764e-20, -8.16592580287218e-20, -2.23381875018816e-19, -4.06070065710666e-19, -6.449241604840199e-19, -9.62582915177298e-19, -1.3925991128597279e-18, -1.98612224257176e-18, -2.82643184357208e-18, -4.05696758554944e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.008588670155428082
Energy: 0.25370837754231024
Energy: 0.008951403250292667
Energy: 0.008777826059928266
Energy: 0.25386260419411955
Energy: 0.008936340766530902
Energy: 0.2537083775439847
Energy: 0.06597652236923056
Energy: 0.06616664457233239
Energy: 0.06599635125144349
Energy: 0.06627986994488154
Energy: 0.06612582858408293
Energy: 0.008951403250292667
Energy: 0.06616664457233239
Energy: 0.06605933818359913
Energy: 0.00896523979932218
Energy: 0.06615591860195569
Energy: 0.06631516818413823
Energy: 0.008777826059928266
Energy: 0.06599635125215136
Energy: 0.008965239799798644
Energy: 0.00890844888844069
Energy: 0.0661563360013728
Energy: 0.00896271004648534
Energy: 0.25386260419411955
Energy: 0.06627986994416006
Energy: 0.06615591860075773
Energy: 0.06615633600089635
Energy: 0.06622242431374332
Energy: 0.06622859961612136
Energy: 0.008936340764366403
Energy: 0.0661258285823949
Energy: 0.06631516817695045
Energy: 0.00896271004576384
Energy: 0.06622859961564491
Energy: 0.009011989159715189

minimum gb energy = 0.008588670155428082 eV
minimum distance =  2.88699589201975 Angstroms
sigma value = 1


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

Energy: 0.8015501697844647
Energy: 0.5111117561456047
Energy: 0.5099671283794389
Energy: 0.4765942717647766
Energy: 0.5007800258358837
Energy: 0.5095658812032902
Energy: 0.7122929844044037
Energy: 0.46511001333398483
Energy: 0.4693501076036232
Energy: 0.46836133791136897
Energy: 0.4772378732379842
Energy: 0.47686337844164917
Energy: 0.724091239442977
Energy: 0.478773133276584
Energy: 0.4653264804217318
Energy: 0.474386060297572
Energy: 0.47010416203042055
Energy: 0.4760433042590759
Energy: 0.7737132216211039
Energy: 0.47128862596998466
Energy: 0.4653515514017809
Energy: 0.49360043220350325
Energy: 0.4711483391651631
Energy: 0.46546325851629455
Energy: 0.7124099183704341
Energy: 0.48560315650857006
Energy: 0.4873132887646974
Energy: 0.4742909758310496
Energy: 0.4724590881322703
Energy: 0.47593554633403884
Energy: 0.7083182529562715
Energy: 0.4939596049225397
Energy: 0.4933093832334848
Energy: 0.474492981937866
Energy: 0.47289247350374447
Energy: 0.4745061393107686
Energy: 0.7099243587705633
Energy: 0.48133058580119814
Energy: 0.47688241131465947
Energy: 0.4744671026906738
Energy: 0.4718890883927005
Energy: 0.4755945930062609
Energy: 0.6164091092282453
Energy: 0.4766942066362544
Energy: 0.4805970267218696
Energy: 0.45218495786261126
Energy: 0.47337508160197445
Energy: 0.4814102172164387
Energy: 0.5862189491526577
Energy: 0.4744453358896477
Energy: 0.47389229944116473
Energy: 0.4726698163012788
Energy: 0.47453186090340255
Energy: 0.47417942960433557
Energy: 0.5833342963001936
Energy: 0.4756908429966729
Energy: 0.4753686884366524
Energy: 0.4706818250708629
Energy: 0.47605116982819684
Energy: 0.48532442159706884
Energy: 0.5788336391467521
Energy: 0.4720091697648939
Energy: 0.46182112261611546
Energy: 0.5066520469648278
Energy: 0.47735002739924803
Energy: 0.4789057773475084
Energy: 0.5225586994398935
Energy: 0.47914402028420944
Energy: 0.47642539701494135
Energy: 0.4782229263939182
Energy: 0.4713506937726329
Energy: 0.47582703686196587
Energy: 0.5222636415894468
Energy: 0.47678516850863784
Energy: 0.476963471246946
Energy: 0.48183730130127594
Energy: 0.48653713756675937
Energy: 0.47902259264726776
Energy: 0.567781971580556
Energy: 0.47168545647644883
Energy: 0.46425990593475686
Energy: 0.47889563280937364
Energy: 0.4726142135962692
Energy: 0.4707013244563476
Energy: 0.5428216099205541
Energy: 0.474665865227794
Energy: 0.4754855117501692
Energy: 0.47712083443442166
Energy: 0.4747299179038556
Energy: 0.4781316905613643
Energy: 0.543425834466671
Energy: 0.47119755342774094
Energy: 0.47082615061266164
Energy: 0.47844689519846323
Energy: 0.47498482956575594
Energy: 0.47897799201868085
Energy: 0.6480340788989261
Energy: 0.4735071424110141
Energy: 0.4759900391106625
Energy: 0.4705389339253304
Energy: 0.4739701802459454
Energy: 0.47598638203713445
Energy: 0.6473922348202608
Energy: 0.47534483583567083
Energy: 0.47747837943976307
Energy: 0.4764941903800243
Energy: 0.47482826295468
Energy: 0.48308980364172405
Energy: 0.6475436429934585
Energy: 0.4825281756003198
Energy: 0.47629395590902635
Energy: 0.47418988894783987
Energy: 0.47670208846440093
Energy: 0.4830849855315397
Energy: 0.6862634868638234
Energy: 0.4776002461828908
Energy: 0.4752487673369254
Energy: 0.47502860145020115
Energy: 0.4753142195453696
Energy: 0.47531979882442876
Energy: 0.7355323367875016
Energy: 0.46674601513428626
Energy: 0.4630845922745225
Energy: 0.4771008438410084
Energy: 0.46649966920833125
Energy: 0.4667816526929224
Energy: 0.7364116974167474
Energy: 0.4910327705172697
Energy: 0.47273861372204934
Energy: 0.4701793420586939
Energy: 0.4816212245990485
Energy: 0.4708641381882127
Energy: 0.7345210598453308
Energy: 0.4653294419201504
Energy: 0.465187000845137
Energy: 0.4781089845461031
Energy: 0.4774524242147105
Energy: 0.47623016897124604

minimum gb energy = 0.45218495786261126 eV
minimum distance =  2.71729112965879 Angstroms
sigma value = 33


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

Energy: 0.9230969625955748
Energy: 0.5077643678216209
Energy: 0.5247045734399547
Energy: 0.5266127750873371
Energy: 0.5109481184098295
Energy: 0.5514595471901155
Energy: 0.695894890335513
Energy: 0.4869797464783901
Energy: 0.4695306997844216
Energy: 0.47706871183224664
Energy: 0.4969171805024762
Energy: 0.4688038762342948
Energy: 0.6905026137931672
Energy: 0.48299810851272273
Energy: 0.4875802020477408
Energy: 0.4929279252547982
Energy: 0.4786748655723528
Energy: 0.486395578864825
Energy: 0.7301704912939427
Energy: 0.5287461919458235
Energy: 0.4823110617952208
Energy: 0.5009911880996193
Energy: 0.5011780306173439
Energy: 0.48675722212134703
Energy: 0.6990029674723367
Energy: 0.476642895793802
Energy: 0.4765368608107309
Energy: 0.46814161592721304
Energy: 0.48759347300735023
Energy: 0.48118074485869006
Energy: 0.741300280533598
Energy: 0.4953435407834735
Energy: 0.5022960838078531
Energy: 0.4809159608455184
Energy: 0.5064064770262062
Energy: 0.5051975514957098
Energy: 0.7402637574811877
Energy: 0.5379892003689354
Energy: 0.5227014712886559
Energy: 0.4891627870804279
Energy: 0.5385128666349347
Energy: 0.5274623604764712
Energy: 0.699284236636555
Energy: 0.5264044653111397
Energy: 0.48576838407970496
Energy: 0.477206361688702
Energy: 0.494572139822808
Energy: 0.48613516004243407
Energy: 0.618476052843824
Energy: 0.4946497524232665
Energy: 0.5288738659354396
Energy: 0.5304064587920815
Energy: 0.4952936392355153
Energy: 0.5301734853572784
Energy: 0.6158159974822786
Energy: 0.5239931543508028
Energy: 0.5500919802996534
Energy: 0.5335640923870175
Energy: 0.52188115643745
Energy: 0.5174762753025368
Energy: 0.6253608738003015
Energy: 0.49296441059480817
Energy: 0.4929299873270338
Energy: 0.5088042277223369
Energy: 0.45790645215086406
Energy: 0.4930544371814841
Energy: 0.5690081966183816
Energy: 0.45893749856880245
Energy: 0.527145489820271
Energy: 0.5488695235071854
Energy: 0.4767260825976381
Energy: 0.5198714255320204
Energy: 0.5713789287727363
Energy: 0.5287915080532537
Energy: 0.5297978744414403
Energy: 0.5504057377436778
Energy: 0.527857822643689
Energy: 0.5190956803491852
Energy: 0.5743539347174816
Energy: 0.48695274185180126
Energy: 0.5063163574900799
Energy: 0.563225743933557
Energy: 0.48637781014561804
Energy: 0.5062785224476208
Energy: 0.6080416819428369
Energy: 0.5323932131010801
Energy: 0.5286119283749577
Energy: 0.5436663477342986
Energy: 0.5191461769846589
Energy: 0.5269367468166554
Energy: 0.6092684514958042
Energy: 0.533380996748158
Energy: 0.5503784603861869
Energy: 0.5447374973718592
Energy: 0.5334646924660881
Energy: 0.5541750007882599
Energy: 0.6993324177410473
Energy: 0.5445129591021706
Energy: 0.5465860056212074
Energy: 0.5389634597262752
Energy: 0.5512492499538231
Energy: 0.5470090008892426
Energy: 0.6546652336577945
Energy: 0.5114087118463744
Energy: 0.5115169015363134
Energy: 0.49520135813206895
Energy: 0.5121212152119367
Energy: 0.5267194434528707
Energy: 0.6482627575798472
Energy: 0.5335994793613371
Energy: 0.5470787138073434
Energy: 0.4953973740643385
Energy: 0.5324273077178941
Energy: 0.5349372719176585
Energy: 0.716322297209075
Energy: 0.5267299511428066
Energy: 0.5220410339003119
Energy: 0.5235963612610879
Energy: 0.5328534676998228
Energy: 0.5504060213027697
Energy: 0.784565187052228
Energy: 0.5545435938789303
Energy: 0.49277616121479334
Energy: 0.4577097104886241
Energy: 0.5545969715672754
Energy: 0.49266253966767704
Energy: 0.6192573604020054
Energy: 0.5437471402472659
Energy: 0.5356558097219363
Energy: 0.48438848375535026
Energy: 0.5490829059342895
Energy: 0.5320054077281245
Energy: 0.6820774662517327
Energy: 0.5212048725328468
Energy: 0.5207855993553123
Energy: 0.5323047586449202
Energy: 0.5484008177576374
Energy: 0.5219213503727238
Energy: 0.7308322823799234
Energy: 0.5559426266909495
Energy: 0.5655881469349677
Energy: 0.5065880553330114
Energy: 0.5564134515642695
Energy: 0.5183920378536464
Energy: 0.6835438947667996
Energy: 0.5257342485939488
Energy: 0.5255461086111152
Energy: 0.5342697504863801
Energy: 0.5407668842334011
Energy: 0.5309768674311065
Energy: 0.7434462746130208
Energy: 0.5521274536000408
Energy: 0.5488568359643167
Energy: 0.5344604189856131
Energy: 0.5523635209396971
Energy: 0.532595437844546
Energy: 0.7398133052466855
Energy: 0.5349230145618548
Energy: 0.5419607075156064
Energy: 0.5296511004379929
Energy: 0.5389062288475395
Energy: 0.5461776565125914
Energy: 0.6992827920582938
Energy: 0.4959381353513465
Energy: 0.5274554066152328
Energy: 0.5210895132802218
Energy: 0.49456248741307246
Energy: 0.5177009715612995
Energy: 0.6175096641458367
Energy: 0.495883698505755
Energy: 0.5273382888964049
Energy: 0.5314870955256458
Energy: 0.4951106283960652
Energy: 0.529854580387787
Energy: 0.6169032026219068
Energy: 0.5319877243235281
Energy: 0.529631078330566
Energy: 0.5326023554476383
Energy: 0.5217534811986573
Energy: 0.5409928647245161
Energy: 0.6166813759236336
Energy: 0.48751843946771434
Energy: 0.4925350102589441
Energy: 0.5381388430381936
Energy: 0.45735932189185374
Energy: 0.49249672158607266
Energy: 0.5715002895345774
Energy: 0.45827011420727454
Energy: 0.45814611441278813
Energy: 0.5506526057834902
Energy: 0.4594560937310843
Energy: 0.5449756102116731
Energy: 0.569771275414746
Energy: 0.5287520079751442
Energy: 0.5176505992859202
Energy: 0.5488038627410352
Energy: 0.5278068172784919
Energy: 0.5161519339653903
Energy: 0.5726254690288758
Energy: 0.5059597124838398
Energy: 0.5057246904023155
Energy: 0.5480427014032971
Energy: 0.5061988082664267
Energy: 0.5054971562341978
Energy: 0.6067418370465286
Energy: 0.5290859138538297
Energy: 0.5304929385920157
Energy: 0.49179065463621496
Energy: 0.5317075547357472
Energy: 0.5268607578179311
Energy: 0.6071851074281819
Energy: 0.48719111717787844
Energy: 0.5297074663345707
Energy: 0.5538952861182534
Energy: 0.5327897508998707
Energy: 0.4828522354457415
Energy: 0.6071657676671154
Energy: 0.48928183365202443
Energy: 0.4892006637613952
Energy: 0.49762036091674317
Energy: 0.48156454175036834
Energy: 0.49524419170494965
Energy: 0.6606994078698689
Energy: 0.479722584734924
Energy: 0.5002229852190414
Energy: 0.4950582847582155
Energy: 0.47894042537085546
Energy: 0.48485090871420466
Energy: 0.6531599394891336
Energy: 0.47891230422615594
Energy: 0.47907650189422163
Energy: 0.49559588103725183
Energy: 0.4858005516529321
Energy: 0.4866738095980983
Energy: 0.6990310196772317
Energy: 0.5008738843842305
Energy: 0.485030748095269
Energy: 0.4805019876989518
Energy: 0.4791508671658274
Energy: 0.4826226453001756
Energy: 0.8190033153340802
Energy: 0.5117695559861722
Energy: 0.4925872498849769
Energy: 0.4572274734412064
Energy: 0.4909535227680281
Energy: 0.5177141351673608

minimum gb energy = 0.4572274734412064 eV
minimum distance =  2.64401612524498 Angstroms
sigma value = 51


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

Energy: 0.8334674016998751
Energy: 0.511168673011857
Energy: 0.4863423324960445
Energy: 0.5496750478909687
Energy: 0.5111090299564082
Energy: 0.5495876277720483
Energy: 0.6325483427422789
Energy: 0.5012887884611101
Energy: 0.48724960167412185
Energy: 0.47445556297500585
Energy: 0.5008379307241047
Energy: 0.48748758234472495
Energy: 0.7279552418543035
Energy: 0.5008536647566607
Energy: 0.4945104606288992
Energy: 0.5030900912325219
Energy: 0.501835139264859
Energy: 0.5140669823210425
Energy: 0.7275546305251253
Energy: 0.5027231804428205
Energy: 0.4982866020522571
Energy: 0.505365912296282
Energy: 0.5022795903725974
Energy: 0.49424750271841117
Energy: 0.6330523102411314
Energy: 0.5056035165901083
Energy: 0.5154278974114488
Energy: 0.4743952224311799
Energy: 0.5115014076899631
Energy: 0.5155248303559752
Energy: 0.6322772029205044
Energy: 0.5156804715853988
Energy: 0.5150569012806362
Energy: 0.5114883259054576
Energy: 0.5064876497079343
Energy: 0.5146750929925457
Energy: 0.6324280296415252
Energy: 0.5056059809884877
Energy: 0.5162378852014476
Energy: 0.5133531653045983
Energy: 0.47440390629913404
Energy: 0.5154172002993217
Energy: 0.6265714987603062
Energy: 0.4960749255412612
Energy: 0.5003719709875433
Energy: 0.4918134581441011
Energy: 0.49601746950826187
Energy: 0.5001851741433135
Energy: 0.5358008418226347
Energy: 0.49691128789743083
Energy: 0.5005028598623958
Energy: 0.4943221685241371
Energy: 0.4902554507673482
Energy: 0.5111825439368681
Energy: 0.5357170112032712
Energy: 0.4752704487678701
Energy: 0.500288254862885
Energy: 0.5008032214129632
Energy: 0.47522808253280285
Energy: 0.48655096747290827
Energy: 0.5360881942645841
Energy: 0.48178985156796617
Energy: 0.4826870174200873
Energy: 0.5115818866816806
Energy: 0.4822555601867229
Energy: 0.49262915994665746
Energy: 0.5608569216266941
Energy: 0.47540852393237815
Energy: 0.4953591916379303
Energy: 0.5016616042856163
Energy: 0.5019559862775744
Energy: 0.5049590477798964
Energy: 0.5598953471801238
Energy: 0.5056918662938841
Energy: 0.5073241625581324
Energy: 0.5118585820438843
Energy: 0.5055358618180182
Energy: 0.5112189919926798
Energy: 0.5608563113638935
Energy: 0.46759365452578694
Energy: 0.4836715689547382
Energy: 0.49499663169668395
Energy: 0.49518354563033057
Energy: 0.4845427792024058
Energy: 0.6765383589583703
Energy: 0.508266767043873
Energy: 0.5057730751886995
Energy: 0.5107620435797308
Energy: 0.49204590376133145
Energy: 0.5058303001694903
Energy: 0.676652140637307
Energy: 0.5022841842894892
Energy: 0.4961704461949067
Energy: 0.5111921081890697
Energy: 0.5018931277072021
Energy: 0.4784484742860464
Energy: 0.6799269206225648
Energy: 0.4951941585984557
Energy: 0.511750888850874
Energy: 0.5071200951848616
Energy: 0.5017645625711262
Energy: 0.5037368083577396
Energy: 0.7791425142548607
Energy: 0.49575641551917526
Energy: 0.48656942067108866
Energy: 0.49508008210102467
Energy: 0.48784688612859467
Energy: 0.5141086928518169

minimum gb energy = 0.46759365452578694 eV
minimum distance =  2.6672978273301 Angstroms
sigma value = 19


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

Energy: 0.7538379074097016
Energy: 0.485314997114432
Energy: 0.47745509567304417
Energy: 0.5435097952121226
Energy: 0.4871880311368777
Energy: 0.5284372381648114
Energy: 0.6941450338996841
Energy: 0.4872615543919563
Energy: 0.4878526607354379
Energy: 0.49516210334401417
Energy: 0.4893029696468301
Energy: 0.48613795243646996
Energy: 0.7929370652643281
Energy: 0.4885381612214615
Energy: 0.49121553170885657
Energy: 0.5116991964012076
Energy: 0.49631407755208934
Energy: 0.4862079764421522
Energy: 0.6244517187578733
Energy: 0.5486228800492637
Energy: 0.4957037120062998
Energy: 0.5166838919259575
Energy: 0.4914328052621849
Energy: 0.5448048013326245
Energy: 0.6674236770491985
Energy: 0.5060310386987978
Energy: 0.4784535952225166
Energy: 0.5138100400898706
Energy: 0.4909948157349665
Energy: 0.5044416155151079
Energy: 0.665572305222558
Energy: 0.49503888687589176
Energy: 0.5651253610383217
Energy: 0.5669498778410603
Energy: 0.49450682057098966
Energy: 0.5634009870847275
Energy: 0.6660794432491177
Energy: 0.4861649460145138
Energy: 0.5698139228349535
Energy: 0.56437973242899
Energy: 0.48755301274104546
Energy: 0.5680082938522802
Energy: 0.6293303765655262
Energy: 0.4570595797212139
Energy: 0.45689599121601454
Energy: 0.5010564429344475
Energy: 0.45927849620441524
Energy: 0.4585573096568176
Energy: 0.5677609626291713
Energy: 0.45826725662596585
Energy: 0.45808298915820456
Energy: 0.5557068220878183
Energy: 0.4589307434923464
Energy: 0.4579280985801119
Energy: 0.5675093897355303
Energy: 0.5528019740799275
Energy: 0.5529692463280411
Energy: 0.5614824258289339
Energy: 0.567568697682979
Energy: 0.5576124158306821
Energy: 0.5697079660626116
Energy: 0.5169928515144013
Energy: 0.5172076043643445
Energy: 0.5603250637393646
Energy: 0.517095702321619
Energy: 0.5597705785409127
Energy: 0.6158936599035839
Energy: 0.5638983695302747
Energy: 0.5640799947257437
Energy: 0.5604088615508568
Energy: 0.5628507161217903
Energy: 0.5598541090754054
Energy: 0.5144932084836168
Energy: 0.5716760881071834
Energy: 0.5714840689862629
Energy: 0.4966087737734486
Energy: 0.5718965762010809
Energy: 0.5716169022135056
Energy: 0.6162940392590645
Energy: 0.5716375586836039
Energy: 0.5720712325699508
Energy: 0.55975329919409
Energy: 0.5710402687547185
Energy: 0.5734060139814343
Energy: 0.7039697478979157
Energy: 0.5510942878907726
Energy: 0.5509888814777615
Energy: 0.458493917876213
Energy: 0.5549851658327657
Energy: 0.45791821199205496
Energy: 0.7006092477565726
Energy: 0.5688686495620374
Energy: 0.4573798318132394
Energy: 0.4589916036658133
Energy: 0.5809613373035721
Energy: 0.45934942625232805
Energy: 0.7511999830716122
Energy: 0.5642894191030913
Energy: 0.554421040865212
Energy: 0.5757611288010813
Energy: 0.5637755335368564
Energy: 0.5553861254539232
Energy: 0.6223700569427462
Energy: 0.56299638380719
Energy: 0.5592797631664947
Energy: 0.5170436670121857
Energy: 0.5635422376450938
Energy: 0.5517175120062385
Energy: 0.622439312172582
Energy: 0.5551077107496803
Energy: 0.5503373775544332
Energy: 0.5178899314471508
Energy: 0.555117073210487
Energy: 0.5500302339104339
Energy: 0.6700441000137961
Energy: 0.4972532330876254
Energy: 0.5674303861274874
Energy: 0.5566041600409971
Energy: 0.49699867857325275
Energy: 0.5704198248383863
Energy: 0.665533343938073
Energy: 0.556812677736385
Energy: 0.558018236948661
Energy: 0.5659683682689065
Energy: 0.5553071087044694
Energy: 0.5633924390699677
Energy: 0.670087171896335
Energy: 0.5570989450751448
Energy: 0.5633592053823235
Energy: 0.5621838567640767
Energy: 0.55561079783505
Energy: 0.5631086576386771
Energy: 0.6133206217468329
Energy: 0.4574043275909683
Energy: 0.4574203773183522
Energy: 0.62616645376056
Energy: 0.4572555998461814
Energy: 0.45751839504732617
Energy: 0.5644147558326874
Energy: 0.5051366632176941
Energy: 0.48090235211112775
Energy: 0.5618019996070835
Energy: 0.48212975077733033
Energy: 0.5504410330404846
Energy: 0.5645235419647153
Energy: 0.5079195276206295
Energy: 0.5494690143501235
Energy: 0.5561300654985991
Energy: 0.5112962392623149
Energy: 0.5544702467481422
Energy: 0.630951251932072
Energy: 0.5168218992773677
Energy: 0.5169127547845516
Energy: 0.5180813350604514
Energy: 0.5167658997674374
Energy: 0.49491011135848073
Energy: 0.6557994053985364
Energy: 0.5098090029231895
Energy: 0.5055645495184734
Energy: 0.49115148013158255
Energy: 0.5097000150704589
Energy: 0.5103791982940775
Energy: 0.5147280244113671
Energy: 0.5052072866257218
Energy: 0.5121135531931243
Energy: 0.49409403153435205
Energy: 0.5074196751725417
Energy: 0.5028540176204392
Energy: 0.6570603224698665
Energy: 0.5054055972336828
Energy: 0.510065017309187
Energy: 0.48146596241398537
Energy: 0.511421626285775
Energy: 0.5051641568017441
Energy: 0.7523862414635775
Energy: 0.4863685366563016
Energy: 0.45812076206981955
Energy: 0.45922781281427005
Energy: 0.48598633131047997
Energy: 0.4978203931840349

minimum gb energy = 0.45689599121601454 eV
minimum distance =  2.6766879226708 Angstroms
sigma value = 27


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

Energy: 0.5878268748242689
Energy: 0.4660005533484648
Energy: 0.5233636922573571
Energy: 0.46933929290753323
Energy: 0.8736054575594385
Energy: 0.5218436852359059
Energy: 0.5804857406354446
Energy: 0.4884109031802993
Energy: 0.44292520042849837
Energy: 0.4450471548612283
Energy: 0.48816116926831005
Energy: 0.42232668434280396
Energy: 0.5288245355857476
Energy: 0.48543205781420357
Energy: 0.4438650078915874
Energy: 0.42286253081043257
Energy: 0.48569309193310817
Energy: 0.44282597664458345
Energy: 0.5284814079410318
Energy: 0.44684335483680726
Energy: 0.4223200128926504
Energy: 0.4223901575942068
Energy: 0.4630057651664943
Energy: 0.42264680146942785
Energy: 0.5814314443467667
Energy: 0.43876412919098984
Energy: 0.4226106951666697
Energy: 0.46380019973467057
Energy: 0.4210812033510279
Energy: 0.4226619101838457
Energy: 0.4953530736427983
Energy: 0.3993998150448823
Energy: 0.3995643564838409
Energy: 0.4848201258303869
Energy: 0.39848602591946725
Energy: 0.4386374211019221
Energy: 0.4982684593014772
Energy: 0.44252184156819957
Energy: 0.4436346046666907
Energy: 0.48751444466190685
Energy: 0.4433919975167857
Energy: 0.4428853821840257
Energy: 0.4977372743515811
Energy: 0.4419020541938874
Energy: 0.4418507992785117
Energy: 0.48724894151562553
Energy: 0.44213437019607504
Energy: 0.4402041967445379
Energy: 0.5288612820624835
Energy: 0.44267562959417617
Energy: 0.4391991041911082
Energy: 0.48857562621072415
Energy: 0.42097201532517264
Energy: 0.4223144531581989
Energy: 0.46341552697154037
Energy: 0.4424182503668221
Energy: 0.44232295132588684
Energy: 0.4653271375371805
Energy: 0.4505240697987409
Energy: 0.44343874336884354
Energy: 0.5292251973449049
Energy: 0.4632750034893926
Energy: 0.4632858051512695
Energy: 0.45906502460975124
Energy: 0.46385393587466006
Energy: 0.4636980743269392
Energy: 0.5203529605178221
Energy: 0.44297574737195805
Energy: 0.44259555684897883
Energy: 0.445039359045501
Energy: 0.44320869047604255
Energy: 0.4225114557366562

minimum gb energy = 0.39848602591946725 eV
minimum distance =  2.75197514765965 Angstroms
sigma value = 9


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

Energy: 1.0048431754703062
Energy: 0.4128927672360698
Energy: 0.40439769791619373
Energy: 0.389134346856084
Energy: 0.41679252743061707
Energy: 0.4154966114966776
Energy: 0.48600001281677657
Energy: 0.4146586520179664
Energy: 0.3894168722772123
Energy: 0.4006958701138576
Energy: 0.4151460745178729
Energy: 0.40073456103147587
Energy: 0.4461848109046314
Energy: 0.4128104799788643
Energy: 0.413832312199444
Energy: 0.4164454662996561
Energy: 0.42123679920468604
Energy: 0.4072084026236088
Energy: 0.44642943886182823
Energy: 0.3893183009784378
Energy: 0.38900961458043287
Energy: 0.4144015439191449
Energy: 0.41028252569375323
Energy: 0.3895610869425908
Energy: 0.4697213010906912
Energy: 0.4054701563230539
Energy: 0.38087288459028823
Energy: 0.42595277823475414
Energy: 0.4051691688909699
Energy: 0.4089970836646002
Energy: 0.4347712980185095
Energy: 0.38980937383838943
Energy: 0.4050757473161405
Energy: 0.4347762420135469
Energy: 0.4040984300807977
Energy: 0.39963114872100636
Energy: 0.434305321446487
Energy: 0.3899242744852955
Energy: 0.38963235452729844
Energy: 0.43510626621394005
Energy: 0.3918823982892482
Energy: 0.4349786990148717
Energy: 0.4349664251398579
Energy: 0.4039609842182009
Energy: 0.403128007788407
Energy: 0.43521053324945036
Energy: 0.4060528172429213
Energy: 0.40401742455851714
Energy: 0.42680035713158093
Energy: 0.40946124469518635
Energy: 0.41317247145747515
Energy: 0.42606830224210407
Energy: 0.4211264865537357
Energy: 0.4085462177935112
Energy: 0.41563317724771703
Energy: 0.3921370064934225
Energy: 0.38997347649061037
Energy: 0.4106616103551802
Energy: 0.41469012947289347
Energy: 0.3889497562200398
Energy: 0.41072820797165027
Energy: 0.4290763343960795
Energy: 0.4092710393757922
Energy: 0.41249448670438693
Energy: 0.43433876740306954
Energy: 0.40926289347399775
Energy: 0.4261104242341774
Energy: 0.434948182431312
Energy: 0.4129129004215127
Energy: 0.39924858762735327
Energy: 0.434928797964249
Energy: 0.38612683508052115
Energy: 0.6021573382060513
Energy: 0.4121847664951263
Energy: 0.40383283453230084
Energy: 0.4149934201103807
Energy: 0.4196472051980097
Energy: 0.4101454877310945
Energy: 0.47919139317170795
Energy: 0.4196369032333463
Energy: 0.40928904784925274
Energy: 0.39937064695191843
Energy: 0.4355345970654766
Energy: 0.41023456427005184
Energy: 0.4281669783471462
Energy: 0.4066880884643143
Energy: 0.40674557755946694
Energy: 0.42212650673239505
Energy: 0.4082690242384457
Energy: 0.4182997466847931
Energy: 0.42712712457561897
Energy: 0.39858627951558145
Energy: 0.4077907018088451
Energy: 0.42081435416524665
Energy: 0.41567143740262275
Energy: 0.40689270658957727
Energy: 0.42744098946319314
Energy: 0.3889431394382421
Energy: 0.38489307867566613
Energy: 0.4145432186887694
Energy: 0.3980850321547674
Energy: 0.40291037680489716
Energy: 0.4631966422888533
Energy: 0.406174152052908
Energy: 0.4064623161089537
Energy: 0.41430230268261514
Energy: 0.4034174714904527
Energy: 0.39460980112465277
Energy: 0.4465186531337148
Energy: 0.40023408351101697
Energy: 0.40068175546926377
Energy: 0.4220681941511927
Energy: 0.39967698492557424
Energy: 0.40130500810372355
Energy: 0.44578008352202697
Energy: 0.4035362995064978
Energy: 0.3982962765368358
Energy: 0.4032826623087828
Energy: 0.40301569446719443
Energy: 0.3973049228047891
Energy: 0.44601406780108144
Energy: 0.3976655260293959
Energy: 0.40034447608169876
Energy: 0.4112588655520736
Energy: 0.4044366698187019
Energy: 0.4047605142217947
Energy: 0.4654486037693315
Energy: 0.399722884627681
Energy: 0.40884809945262757
Energy: 0.40562608639038195
Energy: 0.4145136639478644
Energy: 0.3983385962009516
Energy: 0.46333686477987734
Energy: 0.4148849576777359
Energy: 0.3962160988097286
Energy: 0.4053076057846398
Energy: 0.41508872435286
Energy: 0.3870588776198822
Energy: 0.446112188249954
Energy: 0.4037563920676001
Energy: 0.40576117614987045
Energy: 0.41247992092664354
Energy: 0.42190882908291816
Energy: 0.40845972615639936
Energy: 0.6105753710558379
Energy: 0.4244243087204521
Energy: 0.4106048133921355
Energy: 0.4050894286371948
Energy: 0.4223386323502124
Energy: 0.40824188870707045
Energy: 0.4460189096363366
Energy: 0.39909064830410923
Energy: 0.386220749130172
Energy: 0.4276239484026649
Energy: 0.39942944961173255
Energy: 0.4101515208242052
Energy: 0.41624965852341494
Energy: 0.3901311712139172
Energy: 0.3899938021094271
Energy: 0.4030189285470298
Energy: 0.389800674252171
Energy: 0.40898062347588077
Energy: 0.4346970689996955
Energy: 0.39010247900740264
Energy: 0.38577138059939764
Energy: 0.4347389100631361
Energy: 0.39943674531835593
Energy: 0.38606509917932497
Energy: 0.4344972510927596
Energy: 0.40240532622715874
Energy: 0.4084991072505106
Energy: 0.43440075565600994
Energy: 0.409497890031684
Energy: 0.40916592874552077
Energy: 0.42706005705424716
Energy: 0.4039512974162138
Energy: 0.4113414592655168
Energy: 0.42615458482819185
Energy: 0.4060161786064809
Energy: 0.38994318950172624
Energy: 0.41079165432223214
Energy: 0.39064293979027853
Energy: 0.4118673802133747
Energy: 0.4119704810000011
Energy: 0.4095585790180575
Energy: 0.425212682661146
Energy: 0.4140222801757024
Energy: 0.41280961770882496
Energy: 0.4121944540853775
Energy: 0.4044842380721533
Energy: 0.43423751224621093
Energy: 0.389215787246957
Energy: 0.4413497684007768
Energy: 0.43621415482989534
Energy: 0.4295820183679754
Energy: 0.42605442915722297
Energy: 0.4357244712702447
Energy: 0.3906150778379276
Energy: 0.44008291081733447
Energy: 0.4343928196369516
Energy: 0.41926648936963556
Energy: 0.4080745198019934
Energy: 0.43427840499113674
Energy: 0.3882414569241653
Energy: 0.4376020386074744
Energy: 0.3999583663266757
Energy: 0.4117630921638163
Energy: 0.4116663926862495
Energy: 0.4259578390198453
Energy: 0.4099862698835661
Energy: 0.43968073409121344
Energy: 0.40685167178015
Energy: 0.3933211494521397
Energy: 0.4200111512912341
Energy: 0.4077078281247279
Energy: 0.38907403601075347
Energy: 0.4278268257925028
Energy: 0.41491436941649096
Energy: 0.40668729121390235
Energy: 0.4214649719368644
Energy: 0.41329282088140734
Energy: 0.413946088684416
Energy: 0.42750445647700897
Energy: 0.39997591828170315
Energy: 0.39990133217279333
Energy: 0.42133115914757713
Energy: 0.40060386751170374
Energy: 0.4009998409403415
Energy: 0.4400310620099063
Energy: 0.38840551454986905
Energy: 0.3886419551443633
Energy: 0.39818733027889675
Energy: 0.38744641851742295
Energy: 0.421783638177949
Energy: 0.4465917237038041
Energy: 0.4027535318376668
Energy: 0.39928397821414024
Energy: 0.41612349016990463
Energy: 0.40108240655586136
Energy: 0.4000028305293336
Energy: 0.44403546813869
Energy: 0.39668469120615
Energy: 0.39858648373682554
Energy: 0.40235290665138534
Energy: 0.4037515097842966
Energy: 0.4067198400625366
Energy: 0.44646350638551996
Energy: 0.40390723367043807
Energy: 0.399536916101706
Energy: 0.39711577807247256
Energy: 0.40357866013236215
Energy: 0.3962834432930536
Energy: 0.4634974548539406
Energy: 0.3970550388512342
Energy: 0.4058458809886672
Energy: 0.40529281680234436
Energy: 0.4153494929802844
Energy: 0.38654626747269144

minimum gb energy = 0.38087288459028823 eV
minimum distance =  2.70191072467901 Angstroms
sigma value = 57


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

Energy: 0.4623389027548806
Energy: 0.31411686230067876
Energy: 0.1974698110267981
Energy: 0.19624553182748405
Energy: 0.3173989443987924
Energy: 0.4381059100604566
Energy: 0.3014984075850735
Energy: 0.33879747218564754
Energy: 0.3274831217904376
Energy: 0.3386337873187444
Energy: 0.3384091222498205
Energy: 0.3308587059735633
Energy: 0.3444929876061429
Energy: 0.3957228176357895
Energy: 0.3140675363205857
Energy: 0.3140989315687102
Energy: 0.30597986337405825
Energy: 0.4437091651672344
Energy: 0.47191594184841845
Energy: 0.3234502744269976
Energy: 0.3602613593271871
Energy: 0.33853327380031956
Energy: 0.3173035808061098
Energy: 0.3137715935983769
Energy: 0.4735539923460737
Energy: 0.28494185693800156
Energy: 0.28398270824256105
Energy: 0.31694002706680413
Energy: 0.28514954348026605
Energy: 0.44510483711278653
Energy: 0.3044878422452061
Energy: 0.2853114816615185
Energy: 0.2881379936409484
Energy: 0.4355176065289268
Energy: 0.2865653872381869
Energy: 0.2700822072640533
Energy: 0.4540402426307563
Energy: 0.43930218031857377
Energy: 0.3143360555312618
Energy: 0.3193902526170719
Energy: 0.3094705714772677
Energy: 0.4404771795796646
Energy: 0.44214283182157815
Energy: 0.35475956331651015
Energy: 0.36796405562109397
Energy: 0.3193418585432375
Energy: 0.5757586911715937
Energy: 0.4793286763445694
Energy: 0.3170655908305459
Energy: 0.4277905685961614
Energy: 0.4882752708855055
Energy: 0.4723792984085588
Energy: 0.47223903765442826
Energy: 0.4905330200208783
Energy: 0.3762004029746902
Energy: 0.31822930806569427
Energy: 0.19724362148964023
Energy: 0.19586749486545313
Energy: 0.30616098576677336
Energy: 0.3560648758716969
Energy: 0.372713848877991
Energy: 0.3054447903565713
Energy: 0.4446719926716307
Energy: 0.19603891355957345
Energy: 0.3055332879503721
Energy: 0.3425121871508344
Energy: 0.3129868490014886
Energy: 0.47481667759149293
Energy: 0.4773818554108302
Energy: 0.4776539264299118
Energy: 0.4724606440835716
Energy: 0.4618286262930951
Energy: 0.46207607705941056
Energy: 0.3062980104347289
Energy: 0.474083669303019
Energy: 0.3583772772892787
Energy: 0.3341168829854416
Energy: 0.3533781932863289
Energy: 0.4623304883591026
Energy: 0.43611595614070897
Energy: 0.3393372591719535
Energy: 0.3302173612916898
Energy: 0.3540501592791411
Energy: 0.33186834643578933
Energy: 0.31602130457004923
Energy: 0.28583713813072653
Energy: 0.2887519006022595
Energy: 0.30584055883208866
Energy: 0.28508876075728934
Energy: 0.28597708400817823
Energy: 0.4608887618610001
Energy: 0.30964032305368466
Energy: 0.35976628733137955
Energy: 0.340177059484028
Energy: 0.28490230231089286
Energy: 0.30959545408868444
Energy: 0.4611622056454631
Energy: 0.47937797022612744
Energy: 0.3147035437075158
Energy: 0.3397847612256931
Energy: 0.30810056053175633
Energy: 0.33290971673917213
Energy: 0.3442942144940298
Energy: 0.44174783559288233
Energy: 0.31401261385338775
Energy: 0.3150394563904637
Energy: 0.3139618382405066
Energy: 0.4683425043523431
Energy: 0.46325315512214416
Energy: 0.33853819352101355
Energy: 0.3148324140532143
Energy: 0.19602321107591675
Energy: 0.34011255354425923
Energy: 0.3144102924887359

minimum gb energy = 0.19586749486545313 eV
minimum distance =  2.69608381893912 Angstroms
sigma value = 11


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

Energy: 0.8202022438471923
Energy: 0.34788580772045585
Energy: 0.3990142491801977
Energy: 0.3462657133873675
Energy: 0.3265909331805802
Energy: 0.3247307264627418
Energy: 0.3211272916255673
Energy: 0.3340509133045742
Energy: 0.32966930127145544
Energy: 0.32390760162274845
Energy: 0.32494961644371734
Energy: 0.3234897213596528
Energy: 0.32635027890857804
Energy: 0.33225572941798254
Energy: 0.32560329603986926
Energy: 0.32686510184327905
Energy: 0.3315177619211418
Energy: 0.3248812317658845
Energy: 0.3259949290838637
Energy: 0.3378197827831862
Energy: 0.32470597305745363
Energy: 0.3265080671553003
Energy: 0.32535961976219796
Energy: 0.3240954320416109
Energy: 0.3211408513881199
Energy: 0.386892822935213
Energy: 0.36177424661113056
Energy: 0.33263500422086784
Energy: 0.34345548511701424
Energy: 0.3270908505537497
Energy: 0.3486968341704346
Energy: 0.36475773057623734
Energy: 0.36058959933902074
Energy: 0.3305079953344323
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Energy: 0.32339677234880554
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Energy: 0.33787851970092403
Energy: 0.3351585656704441
Energy: 0.3365455729195489
Energy: 0.32961559164455734
Energy: 0.35135174902562516
Energy: 0.33185175821715485
Energy: 0.3231100052850043
Energy: 0.3365708673576215
Energy: 0.32450505006677205
Energy: 0.3291827709307313
Energy: 0.4629637673722342
Energy: 0.3533652304440489
Energy: 0.35415164466792703
Energy: 0.32961672106280787
Energy: 0.3635173193487459
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Energy: 0.3585089728742577
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Energy: 0.3362117208560917
Energy: 0.3865612832116206
Energy: 0.3864570763209328
Energy: 0.4016100519723031
Energy: 0.34775015215727634
Energy: 0.3686923841406825
Energy: 0.37505916053868504
Energy: 0.34199973640890885
Energy: 0.3313940333353626
Energy: 0.5042009450557041
Energy: 0.38861296760807007
Energy: 0.387028787875573
Energy: 0.3587112630678759
Energy: 0.3638925070944155
Energy: 0.3862793961102086
Energy: 0.5525913582259084
Energy: 0.3613908558309587
Energy: 0.32332509982778673
Energy: 0.4179738918063876
Energy: 0.3761445687467774
Energy: 0.32325184759004844
Energy: 0.37637942328595303
Energy: 0.3533558545775273
Energy: 0.38762608899114614
Energy: 0.334236411418095
Energy: 0.35847307818014057
Energy: 0.38710259606806174
Energy: 0.3744080299487038
Energy: 0.3272182617305031
Energy: 0.3671295497944989
Energy: 0.32489903301031875
Energy: 0.33272624193007444
Energy: 0.3646565496118512
Energy: 0.44244614195092946
Energy: 0.3616447834404545
Energy: 0.3322884501677888
Energy: 0.3283354167249217
Energy: 0.3506632246476876
Energy: 0.3342579055426924
Energy: 0.503657382802414
Energy: 0.3635810943291169
Energy: 0.35492555430662515
Energy: 0.3640888878148993
Energy: 0.3877762163514278
Energy: 0.3541384365837403
Energy: 0.4607936072000308
Energy: 0.3117116891528449
Energy: 0.3411535269213129
Energy: 0.49050468515103496
Energy: 0.34122680112207865
Energy: 0.311976592914194
Energy: 0.32399141153394667
Energy: 0.3634740025331647
Energy: 0.355325470696825
Energy: 0.3316685956496948
Energy: 0.36082635419315634
Energy: 0.354506458923097
Energy: 0.32395301143338334
Energy: 0.32612853733407654
Energy: 0.32517024521742444
Energy: 0.3237670871378129
Energy: 0.3275446572968824
Energy: 0.32850459214538136
Energy: 0.39485074374320744
Energy: 0.3269875239538807
Energy: 0.325120576532961
Energy: 0.36818106577650334
Energy: 0.32556464877356156
Energy: 0.3288310209697159
Energy: 0.3705178748329935
Energy: 0.32502388496449763
Energy: 0.3254702841372071
Energy: 0.32084754479624333
Energy: 0.3356237712066722
Energy: 0.35237742378467707

minimum gb energy = 0.3112864631542084 eV
minimum distance =  2.71072895607793 Angstroms
sigma value = 41


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

Energy: 0.7709022487119287
Energy: 0.4086145145784435
Energy: 0.34820691998042486
Energy: 0.4144358070206333
Energy: 0.408652457799416
Energy: 0.35695081723776895
Energy: 0.3594798944671371
Energy: 0.3591729420142522
Energy: 0.35030663738713047
Energy: 0.3529044133003923
Energy: 0.35197056654766545
Energy: 0.35043356959044875
Energy: 0.35129800527374117
Energy: 0.3541629744238918
Energy: 0.3503225728247102
Energy: 0.3529227806975177
Energy: 0.3528724215899145
Energy: 0.35005993505970534
Energy: 0.3511168819316589
Energy: 0.35788563486104796
Energy: 0.35118970228159435
Energy: 0.3526184769949247
Energy: 0.3535296737778625
Energy: 0.35433399785201775
Energy: 0.3503252568517943
Energy: 0.35941894210978736
Energy: 0.3661493305416657
Energy: 0.3603317690246648
Energy: 0.35734606301132765
Energy: 0.35547358312504596
Energy: 0.394668208873303
Energy: 0.3552356301933274
Energy: 0.35948509016198826
Energy: 0.36039024159673216
Energy: 0.35265046074263945
Energy: 0.35660087377022787
Energy: 0.3940120561731857
Energy: 0.35300575319423066
Energy: 0.35299813080988934
Energy: 0.35269424373672187
Energy: 0.3629764953320265
Energy: 0.3515772620309085
Energy: 0.36510916650136505
Energy: 0.3786852768349569
Energy: 0.37903603675819764
Energy: 0.3647836219529565
Energy: 0.3785910639751485
Energy: 0.34975831959517906
Energy: 0.39468607202236144
Energy: 0.3517644807358375
Energy: 0.35065538190479806
Energy: 0.3643694543872442
Energy: 0.35308884031626603
Energy: 0.35065333586057823
Energy: 0.5380651250327347
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Energy: 0.3576304778154888
Energy: 0.3563324901959592
Energy: 0.3655962879510063
Energy: 0.35837484844061845
Energy: 0.39420398444614724
Energy: 0.3557642132263906
Energy: 0.3525101264874984
Energy: 0.35327449173280656
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Energy: 0.35028223016469123
Energy: 0.4386519490887092
Energy: 0.3350038998591347
Energy: 0.3351566429175886
Energy: 0.3570949553065954
Energy: 0.3360941776398461
Energy: 0.35041721494412403
Energy: 0.3536674278838437
Energy: 0.335046234709676
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Energy: 0.35400794576503025
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Energy: 0.37858700856321237
Energy: 0.3681604983790922
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Energy: 0.3490145437775505
Energy: 0.3756264756677862
Energy: 0.3513047160860385
Energy: 0.3636856998961253
Energy: 0.35163487873144733
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Energy: 0.351954928783543
Energy: 0.7101218906908875
Energy: 0.3543305044260295
Energy: 0.3544510699626581
Energy: 0.4985683108459705
Energy: 0.36144687398572595
Energy: 0.36770296381326806
Energy: 0.3655701508010366
Energy: 0.35420148229851406
Energy: 0.3532608128496541
Energy: 0.35486059709726236
Energy: 0.36405490820610686
Energy: 0.33578758197088177
Energy: 0.35323436572631556
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Energy: 0.3551832872044044
Energy: 0.3529778684639926
Energy: 0.35281833558009795
Energy: 0.3511106471354883
Energy: 0.3507105951132664
Energy: 0.35059954757923534
Energy: 0.35020468298601914
Energy: 0.35245235070552433
Energy: 0.3530804675991218
Energy: 0.3503688461647933
Energy: 0.35090339277725885
Energy: 0.3512938989154963
Energy: 0.3505164424116132
Energy: 0.3517058938006756
Energy: 0.3523780781616401
Energy: 0.3503321825248509
Energy: 0.3786133104117567
Energy: 0.3600479335053941
Energy: 0.3922464851124912
Energy: 0.3787235604041245
Energy: 0.35107829525140827
Energy: 0.3924898776703132
Energy: 0.3943752638811253
Energy: 0.3516882971815748
Energy: 0.35149707304214783
Energy: 0.36217763898635563
Energy: 0.352595731927446
Energy: 0.3511565626737927
Energy: 0.3651984741389218
Energy: 0.3796035031233571
Energy: 0.354644505895554
Energy: 0.36444656285196597
Energy: 0.37959472750003187
Energy: 0.33572464005266284
Energy: 0.39435358309329427
Energy: 0.35272475081154125
Energy: 0.35162148773298696
Energy: 0.36223262262695405
Energy: 0.35332686285884163
Energy: 0.35162240442865433
Energy: 0.39409259390164103
Energy: 0.35556629857688743
Energy: 0.3559669176065346
Energy: 0.3536322365123471
Energy: 0.3635848908388961
Energy: 0.360201322969322
Energy: 0.5382210726314046
Energy: 0.35578212675684556
Energy: 0.35829209960065334
Energy: 0.3524342703226509
Energy: 0.36596416498865436
Energy: 0.3516457187814258
Energy: 0.3945452052233246
Energy: 0.3548877971039448
Energy: 0.35620576406251125
Energy: 0.3629667524381893
Energy: 0.3456011691196661
Energy: 0.35531899432482233
Energy: 0.35428328501149
Energy: 0.3344748566673736
Energy: 0.33473741225543874
Energy: 0.36962671870432595
Energy: 0.3353531246114568
Energy: 0.36596338581522486
Energy: 0.35281937914810635
Energy: 0.3558515937023472
Energy: 0.3543502519381353
Energy: 0.35276158823085385
Energy: 0.3552646582793919
Energy: 0.36027463335046894
Energy: 0.3536167764661123
Energy: 0.35062775247258926
Energy: 0.3495056173223812
Energy: 0.35364653056296796
Energy: 0.3522498175275356
Energy: 0.3488936456635394
Energy: 0.3520628947055133
Energy: 0.35454216020454554
Energy: 0.3539724553144312
Energy: 0.35428693633075514
Energy: 0.35346480878940045
Energy: 0.35466723939302536
Energy: 0.566044673343683
Energy: 0.3532033150146346
Energy: 0.33647914932226264
Energy: 0.33600536102641004
Energy: 0.36321107219275506
Energy: 0.33541644682573873

minimum gb energy = 0.3342823302896688 eV
minimum distance =  2.71932925214482 Angstroms
sigma value = 33


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

Energy: 0.4792857949313329
Energy: 0.4263825550568749
Energy: 0.38422284467599227
Energy: 0.37870414926355433
Energy: 0.4276783684556645
Energy: 0.3837647203178085
Energy: 0.40679162358242066
Energy: 0.38966167436286886
Energy: 0.3890374314301104
Energy: 0.38782889077531635
Energy: 0.38735806681110235
Energy: 0.37750865740784384
Energy: 0.39004732458786884
Energy: 0.3787156372596555
Energy: 0.37947986331955275
Energy: 0.3782652253877433
Energy: 0.3785811405349277
Energy: 0.3777462254771647
Energy: 0.3896687665034306
Energy: 0.39112193651713756
Energy: 0.381560085813909
Energy: 0.3787508879536304
Energy: 0.37851482553056537
Energy: 0.38137343633152737
Energy: 0.38796114332839066
Energy: 0.3811923053283115
Energy: 0.36672750367719714
Energy: 0.38786276122912294
Energy: 0.3917813725975213
Energy: 0.3667506032121548
Energy: 0.41174508397190807
Energy: 0.3809977616546671
Energy: 0.3811923611491947
Energy: 0.41275163130602827
Energy: 0.3810813866864064
Energy: 0.3817635884680406
Energy: 0.4104658435037838
Energy: 0.39001545665152687
Energy: 0.37996199500060895
Energy: 0.3878268928732872
Energy: 0.40173368048870844
Energy: 0.3806340388738432
Energy: 0.40742163904774015
Energy: 0.39529235987195255
Energy: 0.37992860610400864
Energy: 0.36631353478978296
Energy: 0.41140068843465405
Energy: 0.38048717055744485
Energy: 0.4119988526018764
Energy: 0.38019208163451695
Energy: 0.3663986011748055
Energy: 0.40440882903698744
Energy: 0.36743951571983785
Energy: 0.36788966445788307
Energy: 0.44595423145524243
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Energy: 0.41121941128133
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Energy: 0.4109670078199169
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Energy: 0.3923215875576757
Energy: 0.391890106756699
Energy: 0.3795705782659082
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Energy: 0.40241238270521507
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Energy: 0.37807562550845564
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Energy: 0.3892930608159946
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Energy: 0.37763377263356457
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Energy: 0.3871585504251288
Energy: 0.3783384289523353
Energy: 0.6484110831748506
Energy: 0.4091284715654575
Energy: 0.3782333267646416
Energy: 0.3815516744719992
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Energy: 0.377964890457386
Energy: 0.411578478014872
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Energy: 0.3783919383709307
Energy: 0.36747295335379015
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Energy: 0.36570908468677277
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Energy: 0.36738214373448796
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Energy: 0.36874424818241525
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Energy: 0.36583196260473283
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Energy: 0.38992918289526757
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Energy: 0.3792529670116725
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Energy: 0.3776112358700001
Energy: 0.39489978363921024
Energy: 0.38958596953913976
Energy: 0.3907928476006523
Energy: 0.38002032267053887
Energy: 0.39241818050214555
Energy: 0.40022337893928983
Energy: 0.38321455882410754
Energy: 0.4785632886529171
Energy: 0.36910727136537075
Energy: 0.36564065305122534
Energy: 0.36635137351480096
Energy: 0.37522155530542406
Energy: 0.36568376340252223

minimum gb energy = 0.36561824154044886 eV
minimum distance =  2.72624286402165 Angstroms
sigma value = 67


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

Energy: 0.573940189781962
Energy: 0.43131391957789045
Energy: 0.41283553012499713
Energy: 0.41362588088639934
Energy: 0.43149867412430054
Energy: 0.41236372904858726
Energy: 0.42881026429002606
Energy: 0.4052522530554198
Energy: 0.4050468512307862
Energy: 0.40566075324933065
Energy: 0.40705191066392843
Energy: 0.4048091150337445
Energy: 0.4258079947179713
Energy: 0.3922249485911979
Energy: 0.4075427953431826
Energy: 0.4068333041723117
Energy: 0.390959647851382
Energy: 0.40738785856088994
Energy: 0.4256157179167863
Energy: 0.40638559143361064
Energy: 0.4066794169318683
Energy: 0.4051815393143923
Energy: 0.40647171986279246
Energy: 0.4066918985052872
Energy: 0.42624678802131494
Energy: 0.406281888516935
Energy: 0.4065865803771237
Energy: 0.4265170680313959
Energy: 0.40618894466739563
Energy: 0.4066782498338993
Energy: 0.42725500441734326
Energy: 0.40756698162920413
Energy: 0.4082716880861494
Energy: 0.42751343926501334
Energy: 0.40746693824792474
Energy: 0.4083074593022012
Energy: 0.4541736576319829
Energy: 0.4055331148606395
Energy: 0.404981251241754
Energy: 0.3890229605366998
Energy: 0.40697358562462366
Energy: 0.4048488401518759

minimum gb energy = 0.3890229605366998 eV
minimum distance =  2.76728870477739 Angstroms
sigma value = 3


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

Energy: 0.6358172315749769
Energy: 0.5218685701940575
Energy: 0.4783956693948912
Energy: 0.5010187098163846
Energy: 0.5343433326589273
Energy: 0.47270586944023973
Energy: 0.46306513736640914
Energy: 0.4888897144539409
Energy: 0.47630881084904947
Energy: 0.48418805419375727
Energy: 0.4965183070519129
Energy: 0.4674430526470811
Energy: 0.4870512442177582
Energy: 0.468038475139256
Energy: 0.4684662821827349
Energy: 0.4869601565315133
Energy: 0.46815473116779227
Energy: 0.4657699989063872
Energy: 0.46432870451772734
Energy: 0.4648933658664487
Energy: 0.4646800398227263
Energy: 0.464808670433228
Energy: 0.47428911260102874
Energy: 0.46461104844100437
Energy: 0.46360084134112134
Energy: 0.4636749020412393
Energy: 0.4638626504784593
Energy: 0.4638325970340674
Energy: 0.4697361368915791
Energy: 0.4639128790083831
Energy: 0.4635110716414568
Energy: 0.46387029679307734
Energy: 0.46398301991755075
Energy: 0.46384110914929166
Energy: 0.4698658137606453
Energy: 0.4639248037286894
Energy: 0.4664330348097259
Energy: 0.47035669730825935
Energy: 0.46809317175825615
Energy: 0.4643267830667186
Energy: 0.4790867887974576
Energy: 0.4709866714085632
Energy: 0.592878285319818
Energy: 0.48362373565951045
Energy: 0.4859941556904141
Energy: 0.4851526484921741
Energy: 0.48785731991943343
Energy: 0.48526026857839477
Energy: 0.46739087903788534
Energy: 0.4616620118235738
Energy: 0.4626809991132237
Energy: 0.46634474906943385
Energy: 0.46094115617641024
Energy: 0.4797786878148738
Energy: 0.5323102178467183
Energy: 0.4606017744599443
Energy: 0.4612981543415408
Energy: 0.49398221152331045
Energy: 0.4606281411167692
Energy: 0.48520066495143566
Energy: 0.4807182468178574
Energy: 0.4650187685321363
Energy: 0.46722073158599664
Energy: 0.4718595300792001
Energy: 0.4582711869201268
Energy: 0.48331346662013225
Energy: 0.49003333653584746
Energy: 0.46199481171955153
Energy: 0.46145883947898564
Energy: 0.4676518754373202
Energy: 0.4696165284275383
Energy: 0.46164543000993913
Energy: 0.4781703674412656
Energy: 0.4612535378736799
Energy: 0.461822370189764
Energy: 0.45720693611493096
Energy: 0.4616962465374732
Energy: 0.46182887386377264
Energy: 0.500999835704371
Energy: 0.4627387055207024
Energy: 0.4620630227898383
Energy: 0.47915543092970636
Energy: 0.46243147822330516
Energy: 0.46209237859024255
Energy: 0.4976522594489926
Energy: 0.4868142973970577
Energy: 0.49485495176717725
Energy: 0.4675662234861685
Energy: 0.48743566080402023
Energy: 0.46305591171649363
Energy: 0.4841756059450171
Energy: 0.4843027646316833
Energy: 0.4667079513239921
Energy: 0.4825755559863517
Energy: 0.48890714484352804
Energy: 0.46867752927426487
Energy: 0.5388109209472006
Energy: 0.4682977934545845
Energy: 0.46807547995770604
Energy: 0.5393247415997103
Energy: 0.46880212431178586
Energy: 0.46624790084416295
Energy: 0.4676429850420779
Energy: 0.4823133251270988
Energy: 0.46822219605729315
Energy: 0.4673983233141697
Energy: 0.46388314618483
Energy: 0.4684633809374186
Energy: 0.5442628541519454
Energy: 0.46331116302450476
Energy: 0.4623751904622208
Energy: 0.4597174872410136
Energy: 0.47351061263442346
Energy: 0.46232366164570776
Energy: 0.5185884688528812
Energy: 0.4655862440234795
Energy: 0.4657361652018609
Energy: 0.4696845316709575
Energy: 0.4673867748345124
Energy: 0.46102650505681125
Energy: 0.47127588127435044
Energy: 0.46773296244525614
Energy: 0.467270245494132
Energy: 0.46836400703483017
Energy: 0.46785377718832544
Energy: 0.47849444208950564
Energy: 0.4716309388228761
Energy: 0.4691351738498394
Energy: 0.4709983167263626
Energy: 0.47240935927940525
Energy: 0.46738216245831893
Energy: 0.47030478367336626
Energy: 0.4749575051106272
Energy: 0.47187628911133106
Energy: 0.4735565985395206
Energy: 0.47570131425924506
Energy: 0.4695454926603803
Energy: 0.47334136447865205
Energy: 0.47436417819312215
Energy: 0.46156667844288507
Energy: 0.4613002174782471
Energy: 0.4748588992609947
Energy: 0.4612119387352218
Energy: 0.47459751898342356
Energy: 0.47423188606723676
Energy: 0.46802445451378716
Energy: 0.4677942716612663
Energy: 0.4652966710986559
Energy: 0.4722368422039284
Energy: 0.4686040152952211
Energy: 0.5504633911493523
Energy: 0.49788726916312026
Energy: 0.4983602350044061
Energy: 0.46814109774871615
Energy: 0.4639491246969847
Energy: 0.4682900683728452
Energy: 0.45417870305996155
Energy: 0.4787783432352526
Energy: 0.48089296162713585
Energy: 0.4818850384163943
Energy: 0.47873923487470926
Energy: 0.468135346029918
Energy: 0.47592054063684525
Energy: 0.4670142204474862
Energy: 0.46801605177751626
Energy: 0.468714997342835
Energy: 0.4665788834783635
Energy: 0.46932761805531087
Energy: 0.4716997682272672
Energy: 0.46899777194262043
Energy: 0.4689295394859558
Energy: 0.4718782764538009
Energy: 0.46921051483116605
Energy: 0.4689177952756647
Energy: 0.471265739972901
Energy: 0.47528383298070287
Energy: 0.4718898768250616
Energy: 0.4723584735839685
Energy: 0.4734118024335414
Energy: 0.47288706598417385
Energy: 0.47132538957141973
Energy: 0.4719986875557776
Energy: 0.4716404418426091
Energy: 0.4716417131647714
Energy: 0.5045590334437738
Energy: 0.47548748860061235
Energy: 0.4754390205624417
Energy: 0.47121929616364905
Energy: 0.47251018311807375
Energy: 0.4668718345892857
Energy: 0.47229264501861734
Energy: 0.4733835714242884
Energy: 0.5779023440433834
Energy: 0.4716214790471705
Energy: 0.4769054106508163
Energy: 0.4616070353804563
Energy: 0.47175821428515613
Energy: 0.46802346503536285
Energy: 0.45964608658082234
Energy: 0.4630350022361735
Energy: 0.46203420174602616
Energy: 0.4823469162168499
Energy: 0.4647538503153057
Energy: 0.4611662199341234
Energy: 0.4690130740668643
Energy: 0.4845024005356276
Energy: 0.4847568495761034
Energy: 0.46744115401352015
Energy: 0.4799551919342049
Energy: 0.4765852079650756
Energy: 0.4914681327458827
Energy: 0.46080736469834166
Energy: 0.46196099853240796
Energy: 0.49198729450893747
Energy: 0.460802170285385
Energy: 0.48470405125499244
Energy: 0.4906322616167431
Energy: 0.4623727856119075
Energy: 0.46159746694079984
Energy: 0.4850285315405431
Energy: 0.459882948621449
Energy: 0.4624841479887098
Energy: 0.47865564635138125
Energy: 0.46215636799098336
Energy: 0.4615673921297056
Energy: 0.46056997505538333
Energy: 0.46253866134494487
Energy: 0.46237675613563145
Energy: 0.5055650229129652
Energy: 0.46619907726939047
Energy: 0.4608575333010637
Energy: 0.47565720867099653
Energy: 0.46482286948384455
Energy: 0.46179273235781987
Energy: 0.4988644031874493
Energy: 0.46291938038721303
Energy: 0.46297146965440233
Energy: 0.46693538600754
Energy: 0.4640941819279163
Energy: 0.46279922940457724
Energy: 0.46410409613411907
Energy: 0.46149124380092293
Energy: 0.46294141090753477
Energy: 0.4864180707842125
Energy: 0.48667932552680815
Energy: 0.4627565206894152
Energy: 0.530056726434717
Energy: 0.4668066636695282
Energy: 0.46814209655215855
Energy: 0.5069378304844586
Energy: 0.47463773116998764
Energy: 0.47042944423434385
Energy: 0.5819036463305074
Energy: 0.46793120476681005
Energy: 0.46816085485922315
Energy: 0.5059128658849945
Energy: 0.4679179027295737
Energy: 0.48820411357951987
Energy: 0.4680885947706702
Energy: 0.4646442533799257
Energy: 0.4618328450644547
Energy: 0.46433284392851276
Energy: 0.487044555059767
Energy: 0.4835667701235415
Energy: 0.5890104149911147
Energy: 0.46231412836997415
Energy: 0.4774097746804416
Energy: 0.4979151584803055
Energy: 0.46193240604627706
Energy: 0.47745648213586245
Energy: 0.46937184390292275
Energy: 0.46576961129387295
Energy: 0.4669884184897023
Energy: 0.4675710458031385
Energy: 0.46821060058645225
Energy: 0.46780220130916245
Energy: 0.46201122201338873
Energy: 0.4654222191140177
Energy: 0.46463734143741947
Energy: 0.46592111329343766
Energy: 0.4660488015965142
Energy: 0.4645189357247806
Energy: 0.4620206547838092
Energy: 0.47060170559063486
Energy: 0.4670376709513229
Energy: 0.46434472874001803
Energy: 0.4641662621172943
Energy: 0.4654394954362436
Energy: 0.4619922361775359
Energy: 0.4602400506206815
Energy: 0.4649531657631008
Energy: 0.4622890817966007
Energy: 0.4614420218816041
Energy: 0.46393676434265957
Energy: 0.49997695404389664
Energy: 0.4603199323016915
Energy: 0.46124606444001176
Energy: 0.48997470884756955
Energy: 0.4613459799919096
Energy: 0.4647702977361764
Energy: 0.46582550774460885
Energy: 0.47927399418704275
Energy: 0.48385617325341684
Energy: 0.4760276940668338
Energy: 0.4802300293785193
Energy: 0.47178149318112694

minimum gb energy = 0.45417870305996155 eV
minimum distance =  2.68425610456921 Angstroms
sigma value = 81


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

Energy: 0.922251946245093
Energy: 0.5022232363548059
Energy: 0.46737104080416875
Energy: 0.4602646455728734
Energy: 0.5018358699469379
Energy: 0.46089477473446394
Energy: 0.4600632296088327
Energy: 0.4690382674690237
Energy: 0.4751876427671897
Energy: 0.4742315591269336
Energy: 0.46554222709029985
Energy: 0.4764144100087628
Energy: 0.475550175247641
Energy: 0.4559942074694962
Energy: 0.4559083401537157
Energy: 0.4819542685975053
Energy: 0.46607131291914644
Energy: 0.4880113786114852
Energy: 0.4691013067152882
Energy: 0.46731710023578915
Energy: 0.47058328510729264
Energy: 0.4693225371209365
Energy: 0.4660397234738308
Energy: 0.471436257008713
Energy: 0.471186114946103
Energy: 0.4698151820336906
Energy: 0.469910209563225
Energy: 0.47202214834124245
Energy: 0.4766380888200531
Energy: 0.470543736292382
Energy: 0.4761715896280565
Energy: 0.47466098962296316
Energy: 0.47476882008641275
Energy: 0.4715612102361205
Energy: 0.4734535571686327
Energy: 0.4710867616101642
Energy: 0.4693484436270964
Energy: 0.4711320885624962
Energy: 0.47028189881419924
Energy: 0.4899935290725234
Energy: 0.4707244150410955
Energy: 0.47243574677742184
Energy: 0.5570744934575256
Energy: 0.5113716789251084
Energy: 0.5038360366728267
Energy: 0.4504453599317799
Energy: 0.5035730115500019
Energy: 0.46848883798027385
Energy: 0.4635575535123154
Energy: 0.45654949096238817
Energy: 0.47815715724303876
Energy: 0.4787405348690802
Energy: 0.456683790071343
Energy: 0.4678472874814588
Energy: 0.48009554657092035
Energy: 0.44106113257508656
Energy: 0.44116081779115646
Energy: 0.4648951758562811
Energy: 0.4403393578003096
Energy: 0.45045163755399803
Energy: 0.43393550897984257
Energy: 0.45248641828416164
Energy: 0.4523060057922727
Energy: 0.46267272801532666
Energy: 0.4400965561564998
Energy: 0.46372666699169135
Energy: 0.4651606202899916
Energy: 0.4552606770672316
Energy: 0.4568943688679157
Energy: 0.4653410913664468
Energy: 0.4664925101748656
Energy: 0.4565551643176156
Energy: 0.4648707904919792
Energy: 0.44148113060725264
Energy: 0.49007284540254464
Energy: 0.46591027342493946
Energy: 0.48375039049218455
Energy: 0.4652134533122936
Energy: 0.43335519864342403
Energy: 0.4789142906744955
Energy: 0.4796019835853828
Energy: 0.462148580799295
Energy: 0.48299579889884264
Energy: 0.479003199885897
Energy: 0.5796647108787848
Energy: 0.4727004077143283
Energy: 0.48945292958146525
Energy: 0.4371061740929707
Energy: 0.4885872248900595
Energy: 0.43507076909414016
Energy: 0.4324796980296618
Energy: 0.4262532115989332
Energy: 0.43733664944143896
Energy: 0.4338598024894893
Energy: 0.4271786851778869
Energy: 0.42729635933173704
Energy: 0.524053270215088
Energy: 0.45001203469222717
Energy: 0.4499230983064159
Energy: 0.49393852678769556
Energy: 0.4501207753946301
Energy: 0.4573573854756962
Energy: 0.4272478114427868
Energy: 0.4275145595789661
Energy: 0.4260489326208158
Energy: 0.42676975269741785
Energy: 0.4270156630430909
Energy: 0.4270420575682368
Energy: 0.4287174606579004
Energy: 0.4276369731708577
Energy: 0.42870718307566674
Energy: 0.4277883447250909
Energy: 0.4265342922232545
Energy: 0.4263763464319703
Energy: 0.42801668700059714
Energy: 0.427311132667562
Energy: 0.4285461360248332
Energy: 0.4263529271057823
Energy: 0.4265465867220552
Energy: 0.42965065340211617
Energy: 0.42705129104008094
Energy: 0.4266949533394971
Energy: 0.43723458558893114
Energy: 0.42722482370465725
Energy: 0.42680371843339526
Energy: 0.44091720755946984
Energy: 0.48388867817375053
Energy: 0.4595630423584033
Energy: 0.4763243493562681
Energy: 0.47925543513945384
Energy: 0.44708848997680495
Energy: 0.4769082659054062
Energy: 0.43362346746025804
Energy: 0.4270549184976169
Energy: 0.4405653398708039
Energy: 0.43546943830326434
Energy: 0.4268913446035733
Energy: 0.42660996497815273
Energy: 0.4919335832193606
Energy: 0.4906370649537207
Energy: 0.43362471107708245
Energy: 0.42756352411036247
Energy: 0.4898400077390218
Energy: 0.42784223610292044
Energy: 0.4333662031937298
Energy: 0.4837472504217844
Energy: 0.48243209346951615
Energy: 0.4694141315871042
Energy: 0.4798020333716557
Energy: 0.48170364961767326
Energy: 0.522554333794183
Energy: 0.5122371585714551
Energy: 0.5026514411068115
Energy: 0.45647899420875643
Energy: 0.5124732168483718
Energy: 0.5052283475471471
Energy: 0.48864753591992655
Energy: 0.4604130479816212
Energy: 0.4675085356197767
Energy: 0.45881864238953823
Energy: 0.5043038180233164
Energy: 0.4672555741654692
Energy: 0.43321253841838253
Energy: 0.4534997634466664
Energy: 0.4814958954952456
Energy: 0.47826391531727547
Energy: 0.4406678482309429
Energy: 0.46624763338053343
Energy: 0.52400634263731
Energy: 0.4409257877239757
Energy: 0.44076375001643575
Energy: 0.4649121475567798
Energy: 0.4401555625221306
Energy: 0.4423712997488703
Energy: 0.46768455266275943
Energy: 0.4570115072891599
Energy: 0.45546540674866665
Energy: 0.46384231084281746
Energy: 0.45683034247610227
Energy: 0.4831224961245356
Energy: 0.46451283743692173
Energy: 0.4932549068932933
Energy: 0.4688557952290934
Energy: 0.4660789649001687
Energy: 0.4933792365795459
Energy: 0.4646211794934747
Energy: 0.4676669376605106
Energy: 0.46591820697692954
Energy: 0.46090795258600636
Energy: 0.4637839045987116
Energy: 0.4654921845556485
Energy: 0.46733536798754766
Energy: 0.5396147750346546
Energy: 0.47114378530891554
Energy: 0.4714765089523822
Energy: 0.47655928256202784
Energy: 0.47132012496403436
Energy: 0.47298746333546093
Energy: 0.47533707799132935
Energy: 0.4686242850941329
Energy: 0.4692632360118591
Energy: 0.4751768452028843
Energy: 0.47501456133841585
Energy: 0.47590693886926166
Energy: 0.4747720509831132
Energy: 0.47592487825491986
Energy: 0.47588371914664845
Energy: 0.4749636752329915
Energy: 0.458509373870109
Energy: 0.47725699880545513
Energy: 0.5299867837775728
Energy: 0.4567418700138023
Energy: 0.45007883609944016
Energy: 0.5105153335799296
Energy: 0.45683472161151384
Energy: 0.5149122680812018
Energy: 0.469473732857547
Energy: 0.47226772346253715
Energy: 0.4746066117107672
Energy: 0.4740865909685409
Energy: 0.4633649241465825
Energy: 0.47523327929461684
Energy: 0.5387993119321662
Energy: 0.47344049902488394
Energy: 0.46104733483357424
Energy: 0.45795071223074557
Energy: 0.4285683235963236
Energy: 0.45902613821580673

minimum gb energy = 0.4260489326208158 eV
minimum distance =  2.72250767688346 Angstroms
sigma value = 43


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

Energy: 0.6504877691039734
Energy: 0.49075526509777667
Energy: 0.4522199297585377
Energy: 0.45575716335586636
Energy: 0.556927094504232
Energy: 0.45325214645647843
Energy: 0.4456022048776969
Energy: 0.4554362955471154
Energy: 0.44859422343549094
Energy: 0.47727777696171075
Energy: 0.4476656749022275
Energy: 0.4507446770857857
Energy: 0.44586672799675753
Energy: 0.44390745932206377
Energy: 0.44292990812822436
Energy: 0.4817269718674727
Energy: 0.4445326531114217
Energy: 0.4476988330539468
Energy: 0.44813043557407545
Energy: 0.44358868067738605
Energy: 0.45225768453462667
Energy: 0.4481318638285893
Energy: 0.4522872608887068
Energy: 0.4512591055378628
Energy: 0.44660678701123696
Energy: 0.45276187909146937
Energy: 0.4517953000623295
Energy: 0.4499268316480705
Energy: 0.45273316591180235
Energy: 0.45280033542474446
Energy: 0.4465948718252647
Energy: 0.452763397869628
Energy: 0.4515510167521999
Energy: 0.4527831696885502
Energy: 0.4511994224435541
Energy: 0.45159205927328755
Energy: 0.44611031226917214
Energy: 0.44655674746546137
Energy: 0.4462574420832536
Energy: 0.44889220070169733
Energy: 0.44714172532919955
Energy: 0.4530378750685872
Energy: 0.5588126255809719
Energy: 0.4453276071675846
Energy: 0.4454416715629432
Energy: 0.4513411132863707
Energy: 0.4450676964251166
Energy: 0.4858425126596573
Energy: 0.4470968372058882
Energy: 0.4450558091043066
Energy: 0.44789759847836746
Energy: 0.44583085079257756
Energy: 0.44485841603314435
Energy: 0.4525547854301635
Energy: 0.5541152859914985
Energy: 0.45292084272809313
Energy: 0.4497356210162712
Energy: 0.4520004592347185
Energy: 0.4533574929586388
Energy: 0.4495748544861774
Energy: 0.4531261643970067
Energy: 0.45741421676017213
Energy: 0.4657629200272243
Energy: 0.44524120046284793
Energy: 0.44674800022449324
Energy: 0.46104242124464223
Energy: 0.4525260517420536
Energy: 0.445589635813098
Energy: 0.44555707902476865
Energy: 0.4472861473450049
Energy: 0.4453586922819758
Energy: 0.4511517214087512
Energy: 0.5222076570330147
Energy: 0.4469684027062011
Energy: 0.45339198152443033
Energy: 0.4460494874706764
Energy: 0.448026451495678
Energy: 0.45338350669350924
Energy: 0.4531348622910257
Energy: 0.4533580534749928
Energy: 0.4505958692292856
Energy: 0.44664386076995766
Energy: 0.44793031810987727
Energy: 0.4485725450444054
Energy: 0.45298493624171005
Energy: 0.4542584008930025
Energy: 0.45007787304476005
Energy: 0.4581708572171462
Energy: 0.44844614567386315
Energy: 0.46308772120710456
Energy: 0.45238600459091155
Energy: 0.4528527871665577
Energy: 0.462850492951893
Energy: 0.4522638149945159
Energy: 0.4550486148974796
Energy: 0.4559284292543289
Energy: 0.4525356841324451
Energy: 0.4633960007184206
Energy: 0.46439727165344447
Energy: 0.45258855548064575
Energy: 0.45365565493102267
Energy: 0.46598658565032747
Energy: 0.4518686621490676
Energy: 0.4568523655285034
Energy: 0.4623678258371057
Energy: 0.46257276600037
Energy: 0.4573474032549232
Energy: 0.4581935704087639
Energy: 0.44824308006593155
Energy: 0.45224702344317563
Energy: 0.4575122043900483
Energy: 0.4535531171815456
Energy: 0.45242195687483766
Energy: 0.4527557110523862
Energy: 0.5190306593617573
Energy: 0.45227172447689384
Energy: 0.4574941782061956
Energy: 0.4545700726865002
Energy: 0.478292747644038
Energy: 0.44851088337867656
Energy: 0.45153917154674966
Energy: 0.4573940014371778
Energy: 0.4569270785245578
Energy: 0.46078587578600644
Energy: 0.4532101034505557
Energy: 0.4614416121013163
Energy: 0.5049615005624063
Energy: 0.4534386086147929
Energy: 0.4882907142659946
Energy: 0.49727570681668926
Energy: 0.44188153728076235
Energy: 0.48421748482856175
Energy: 0.45799930711732534
Energy: 0.4569154990838996
Energy: 0.4571528018836654
Energy: 0.4612699559805451
Energy: 0.46501291583671556
Energy: 0.46158530724274305
Energy: 0.48556806036979017
Energy: 0.4799924171019212
Energy: 0.4522667831221083
Energy: 0.45770071782608057
Energy: 0.45238209129689344
Energy: 0.45251769632758526
Energy: 0.4584429766629332
Energy: 0.4520031255292651
Energy: 0.4521543451892678
Energy: 0.45736969749554157
Energy: 0.45176471380875133
Energy: 0.4572473152129296
Energy: 0.47926569661577106
Energy: 0.45844192284808877
Energy: 0.4585476870906765
Energy: 0.4487068723901345
Energy: 0.4528736149410303
Energy: 0.4648694073783813
Energy: 0.4790435734802404
Energy: 0.4537522455324538
Energy: 0.45762464063255187
Energy: 0.44504969114552617
Energy: 0.4572304554059209
Energy: 0.46181613204005495
Energy: 0.4808545990330417
Energy: 0.45411960357077985
Energy: 0.4520640837313337
Energy: 0.4453113337824763
Energy: 0.44884699256497645
Energy: 0.451978958261798
Energy: 0.445111081187281
Energy: 0.44806324228040145
Energy: 0.44762556450855173
Energy: 0.44498048789610073
Energy: 0.451322977949385
Energy: 0.44757199542357956
Energy: 0.4479000365047167
Energy: 0.45061571889940477
Energy: 0.4520797524522439
Energy: 0.47685964322641
Energy: 0.44665406632585414
Energy: 0.44815862284916985
Energy: 0.6038945133677573
Energy: 0.4768149375065132
Energy: 0.46264944892703214
Energy: 0.45955701208886707
Energy: 0.47752784526304076
Energy: 0.44189936636960986

minimum gb energy = 0.44188153728076235 eV
minimum distance =  2.69412661235361 Angstroms
sigma value = 57


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

Energy: 0.5536812334005159
Energy: 0.5169122047989213
Energy: 0.45670730953049354
Energy: 0.4361582912324858
Energy: 0.5070360156984832
Energy: 0.4568407549732779
Energy: 0.4501268277013447
Energy: 0.44955451270542646
Energy: 0.44060072568927816
Energy: 0.441466943106748
Energy: 0.4407959982696382
Energy: 0.44928128557578273
Energy: 0.44142641243141645
Energy: 0.4255755096777471
Energy: 0.4258311964321561
Energy: 0.4533887270395524
Energy: 0.4257509627708462
Energy: 0.42676928268834285
Energy: 0.4542701994663537
Energy: 0.4253635183248526
Energy: 0.42573102593131323
Energy: 0.45466069512564855
Energy: 0.42530701443737257
Energy: 0.45059566954418145
Energy: 0.46028690864421723
Energy: 0.44157249775292823
Energy: 0.4423220618781833
Energy: 0.45043424825248246
Energy: 0.446649880071097
Energy: 0.4407620459154947
Energy: 0.42583778124768995
Energy: 0.4416712244435549
Energy: 0.4415669666127953
Energy: 0.44282089962200877
Energy: 0.4459940913042569
Energy: 0.4389765111083428
Energy: 0.4411588246906514
Energy: 0.4590038687492032
Energy: 0.449986135967635
Energy: 0.44291671730456555
Energy: 0.45680438979385085
Energy: 0.44892585481820957
Energy: 0.46333868422731866
Energy: 0.44875007730069577
Energy: 0.4402176355258837
Energy: 0.4428815975714339
Energy: 0.44854771565767637
Energy: 0.4503925021448853
Energy: 0.44206427014279365
Energy: 0.46457861142617085
Energy: 0.4457487605943395
Energy: 0.4412086725824318
Energy: 0.461721600848517
Energy: 0.4491987249412484
Energy: 0.4449708838493613
Energy: 0.4483672260178498
Energy: 0.4532564591366424
Energy: 0.44471784958283606
Energy: 0.44378284148610236
Energy: 0.45441467129102237
Energy: 0.46861084406199077
Energy: 0.44265993332614617
Energy: 0.4476844614034474
Energy: 0.45329711989403226
Energy: 0.4518245459828147
Energy: 0.4457629589328444
Energy: 0.4326767541787962
Energy: 0.4600000086423922
Energy: 0.4455605609199885
Energy: 0.43407787495860223
Energy: 0.4823503551600752
Energy: 0.42515766827237284
Energy: 0.43307343947770943
Energy: 0.4540751450522122
Energy: 0.4732214028428028
Energy: 0.42504505257512737
Energy: 0.457554145732077
Energy: 0.4743516892683244
Energy: 0.44116063066938804
Energy: 0.4473410543479533
Energy: 0.45061137111802063
Energy: 0.4403937758955791
Energy: 0.4661794666044109
Energy: 0.4459346462505067
Energy: 0.4419738513478859
Energy: 0.4330215491049965
Energy: 0.43648426554243713
Energy: 0.44268464289857523
Energy: 0.4330287951075655
Energy: 0.43633763741304094
Energy: 0.4587917463217359
Energy: 0.44711983364044755
Energy: 0.44680690297357534
Energy: 0.4572501774834306
Energy: 0.4450854874071204
Energy: 0.44892508911141077
Energy: 0.4621723907407993
Energy: 0.4406842537480197
Energy: 0.4405547758189999
Energy: 0.44453519219723786
Energy: 0.4464029972348367
Energy: 0.43999517460402043
Energy: 0.46175232659038534
Energy: 0.4463717617220885
Energy: 0.4451929745144871
Energy: 0.44731989079166357
Energy: 0.44841554505365405
Energy: 0.4399518787922268
Energy: 0.4669628614159638
Energy: 0.45585304498008244
Energy: 0.44866497077279727
Energy: 0.4446113037938445
Energy: 0.4545902035329566
Energy: 0.44603810021041296
Energy: 0.46716547953331533
Energy: 0.4544968823671955
Energy: 0.45530707524837655
Energy: 0.44495989298214933
Energy: 0.45436291000888324
Energy: 0.44707378806119086
Energy: 0.45320797932071927
Energy: 0.4647089976661971
Energy: 0.4405917017845438
Energy: 0.44080605027250264
Energy: 0.4638871914344253
Energy: 0.44130505016057353
Energy: 0.4875410934177237
Energy: 0.44813771909909766
Energy: 0.44395136231183774
Energy: 0.44209450621661267
Energy: 0.4486654154221395
Energy: 0.44369417347390905
Energy: 0.44095088475201744
Energy: 0.463816425723247
Energy: 0.44273106515281774
Energy: 0.4404736854095257
Energy: 0.4654293205894528
Energy: 0.445943582511764
Energy: 0.4331549366926564
Energy: 0.45442954556716786
Energy: 0.47294049503697516
Energy: 0.42530146533826263
Energy: 0.44310435166639345
Energy: 0.4741703477148271

minimum gb energy = 0.42504505257512737 eV
minimum distance =  2.67400099481193 Angstroms
sigma value = 17


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

Energy: 0.7278986838121101
Energy: 0.4695556408678661
Energy: 0.5388797643161904
Energy: 0.4348880830585487
Energy: 0.46955014227036856
Energy: 0.4522817105016684
Energy: 0.4968873236280166
Energy: 0.4824868452081718
Energy: 0.4443822858578391
Energy: 0.4891029391068588
Energy: 0.48787596918341397
Energy: 0.44580782225573934
Energy: 0.4647127196481649
Energy: 0.41941090943001885
Energy: 0.4288990864465914
Energy: 0.47418507543721644
Energy: 0.4190638631139312
Energy: 0.4292360177822515
Energy: 0.4737494016440621
Energy: 0.42874436751112477
Energy: 0.43268242833436865
Energy: 0.4737174196734998
Energy: 0.4257734006684747
Energy: 0.4468219314486567
Energy: 0.4275605485798501
Energy: 0.4184918285137496
Energy: 0.4176311575318125
Energy: 0.42808484463973523
Energy: 0.42251297655851044
Energy: 0.41173063951076244
Energy: 0.4307548560931611
Energy: 0.41825996411635474
Energy: 0.42044694468266386
Energy: 0.4054786241065169
Energy: 0.42560577942779115
Energy: 0.40431133051247686
Energy: 0.4243588933983573
Energy: 0.42213102996693086
Energy: 0.4224401284742826
Energy: 0.4235131008061008
Energy: 0.42460455414048986
Energy: 0.41261821387827374
Energy: 0.41396003723587727
Energy: 0.40305456972486087
Energy: 0.4032107367793315
Energy: 0.40283688540787443
Energy: 0.40258043861467535
Energy: 0.40247694810787393
Energy: 0.4235075100596304
Energy: 0.4011615122647939
Energy: 0.4008752625031535
Energy: 0.42448924270182015
Energy: 0.40242033862851295
Energy: 0.41307499501685685
Energy: 0.4258568209930941
Energy: 0.4144725763065692
Energy: 0.41475211029131953
Energy: 0.4256505891090562
Energy: 0.41351195638276633
Energy: 0.42042753257477217
Energy: 0.402727011101462
Energy: 0.4114294860774299
Energy: 0.41157747260449934
Energy: 0.4224861223947239
Energy: 0.4286122410574987
Energy: 0.41765866459040846
Energy: 0.4282209495203882
Energy: 0.4745027568968122
Energy: 0.47505484136121784
Energy: 0.4134969000102125
Energy: 0.4801982546989285
Energy: 0.4472493625419581
Energy: 0.42982402649058365
Energy: 0.4718432846875859
Energy: 0.47217610517532116
Energy: 0.41236716687086983
Energy: 0.4734162632049758
Energy: 0.46901506906127904
Energy: 0.4864330289124251
Energy: 0.48587572366756127
Energy: 0.44052561990180894
Energy: 0.4894807302861987
Energy: 0.48979466760689894
Energy: 0.445467661461975
Energy: 0.4558717635135819
Energy: 0.47445117794119573
Energy: 0.4779724015680948
Energy: 0.47402086572353597
Energy: 0.47081784615881966
Energy: 0.4673582034808045
Energy: 0.4588626367479947
Energy: 0.4858508773467679
Energy: 0.4392867898724528
Energy: 0.48946980565726406
Energy: 0.48963226272359955
Energy: 0.47833019758047035
Energy: 0.4086684592546634
Energy: 0.4718301169347971
Energy: 0.5020480006110241
Energy: 0.4356197225811559
Energy: 0.4700180278097348
Energy: 0.5016832626671287

minimum gb energy = 0.4008752625031535 eV
minimum distance =  2.66003492765297 Angstroms
sigma value = 17


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

Energy: 0.7685576218717908
Energy: 0.5035283403124176
Energy: 0.43074047558449424
Energy: 0.4301372399224781
Energy: 0.482834668848146
Energy: 0.42857004914234675
Energy: 0.4375609831332264
Energy: 0.3935080699537502
Energy: 0.39296720236267174
Energy: 0.46191746217500324
Energy: 0.4780975243267926
Energy: 0.43202758753547454
Energy: 0.5605142065588113
Energy: 0.3774892612591542
Energy: 0.4067982062012087
Energy: 0.48078185591690326
Energy: 0.37748173027957266
Energy: 0.4210114569799092
Energy: 0.47775321822854044
Energy: 0.4180511082847173
Energy: 0.42003711729133525
Energy: 0.47803084422595604
Energy: 0.3829273376793566
Energy: 0.43146607299283674
Energy: 0.41686304498623916
Energy: 0.3938230491357488
Energy: 0.39480140837261396
Energy: 0.4171940854078252
Energy: 0.40812363142806857
Energy: 0.3930334056634956
Energy: 0.4206302650268682
Energy: 0.40081190678309647
Energy: 0.3758894128613685
Energy: 0.3780922799238915
Energy: 0.41111377897261686
Energy: 0.3763482190538055
Energy: 0.3841942180052695
Energy: 0.41590865043464986
Energy: 0.4110062362358713
Energy: 0.372243693096946
Energy: 0.41311408836233826
Energy: 0.3717321859778856
Energy: 0.39839087469479145
Energy: 0.3656520068874149
Energy: 0.3694357406702826
Energy: 0.3711449426668932
Energy: 0.36504110135055695
Energy: 0.37162108173611114
Energy: 0.38467948590528217
Energy: 0.37106843734621625
Energy: 0.3825139592696271
Energy: 0.3854167053795724
Energy: 0.378853751987173
Energy: 0.3841427761353489
Energy: 0.3841681420407841
Energy: 0.366813127066485
Energy: 0.3669826327138685
Energy: 0.38428042317530114
Energy: 0.36649864550692657
Energy: 0.3671224351152925
Energy: 0.39330329021807714
Energy: 0.36711064593623216
Energy: 0.36638028968588326
Energy: 0.36626116291624716
Energy: 0.38426805874711195
Energy: 0.3664543861028557
Energy: 0.38564362923673234
Energy: 0.38431172776558314
Energy: 0.38396821162234057
Energy: 0.391945217595839
Energy: 0.3871720103954953
Energy: 0.38271054656537257
Energy: 0.39380789647180436
Energy: 0.372781380717414
Energy: 0.3701270477957074
Energy: 0.37140112646517964
Energy: 0.37326955260025635
Energy: 0.3701379164356743
Energy: 0.41069426199742753
Energy: 0.37170453620266936
Energy: 0.371447753539845
Energy: 0.4115229639265174
Energy: 0.3714455723969762
Energy: 0.4110548745907593
Energy: 0.4113303141961646
Energy: 0.3769086924169969
Energy: 0.3715974776926057
Energy: 0.41119052824953356
Energy: 0.37509979806334326
Energy: 0.3929710152719584
Energy: 0.47516112570091457
Energy: 0.40104707502036296
Energy: 0.399282979073926
Energy: 0.4082511312599118
Energy: 0.4175520050871666
Energy: 0.3974789183674822
Energy: 0.38458625077595643
Energy: 0.4767825753906872
Energy: 0.4683259063362188
Energy: 0.3819418429499749
Energy: 0.4806919385233135
Energy: 0.4017797270994426
Energy: 0.384769633971637
Energy: 0.4719012730719459
Energy: 0.4652538219479585
Energy: 0.4119806583373795
Energy: 0.48046181331034205
Energy: 0.40804801108744554
Energy: 0.4751079445078261
Energy: 0.46401143461551553
Energy: 0.43597718075743164
Energy: 0.41610340783025085
Energy: 0.4011028995437463
Energy: 0.394121659604677
Energy: 0.5599621787162119
Energy: 0.4076645265435197
Energy: 0.4075443665858998
Energy: 0.47741511862216984
Energy: 0.40674892188615525
Energy: 0.4464016549696926
Energy: 0.5172647857663649
Energy: 0.4519263581782507
Energy: 0.43268426407110505
Energy: 0.47782756006184296
Energy: 0.4573272592411485
Energy: 0.45193949905637915
Energy: 0.3902153573997236
Energy: 0.4578240292210125
Energy: 0.4948226356432803
Energy: 0.42105670862296707
Energy: 0.4799647438109815
Energy: 0.42652150657837656
Energy: 0.39200768113431994
Energy: 0.465646134867669
Energy: 0.4574263954157468
Energy: 0.3949738628037675
Energy: 0.47336308330279014
Energy: 0.45280199657899406
Energy: 0.5606681345856254
Energy: 0.41396442630482844
Energy: 0.3894712787314393
Energy: 0.4776198815195491
Energy: 0.38706784294018787
Energy: 0.4473676826258984
Energy: 0.47677995546162005
Energy: 0.3787850890023447
Energy: 0.4071327306280452
Energy: 0.47690329911577795
Energy: 0.37866301537616537
Energy: 0.41432929294606086
Energy: 0.41765343971834085
Energy: 0.4074079677416678
Energy: 0.3943162372925094
Energy: 0.4179656503685324
Energy: 0.40865601029805937
Energy: 0.4085615219569499
Energy: 0.4001671343317047
Energy: 0.40227268563339913
Energy: 0.4060482025078694
Energy: 0.37723409044761885
Energy: 0.4022916117901368
Energy: 0.3777004607300468
Energy: 0.3817343928030112
Energy: 0.41502801314896764
Energy: 0.4111228410126062
Energy: 0.38223454051225086
Energy: 0.4123144226505835
Energy: 0.4110232718214884
Energy: 0.3845785907102034
Energy: 0.37200228370402677
Energy: 0.3719427993523703
Energy: 0.3711184653819057
Energy: 0.411487628344714
Energy: 0.3716566535501009
Energy: 0.3839190769017691
Energy: 0.36535568850490324
Energy: 0.37093054975782463
Energy: 0.3839658353659192
Energy: 0.3648811249590578
Energy: 0.36939273320765054
Energy: 0.387270882588259
Energy: 0.36629519043788034
Energy: 0.36603169495558463
Energy: 0.38799882612935027
Energy: 0.3660636895567615
Energy: 0.3657647435821178
Energy: 0.3917649448129179
Energy: 0.36662284454769706
Energy: 0.3665907093434361
Energy: 0.36611846282697025
Energy: 0.36729859272338766
Energy: 0.3667362121473935
Energy: 0.39117819290774525
Energy: 0.38784649073668936
Energy: 0.3843096164280104
Energy: 0.39358052619036527
Energy: 0.38499392550465705
Energy: 0.38413790900536454
Energy: 0.3811400852478383
Energy: 0.37403820912519037
Energy: 0.37140626518934544
Energy: 0.37157572393001
Energy: 0.36941532858605275
Energy: 0.3715445011868304
Energy: 0.4154763666309199
Energy: 0.3705651894820651
Energy: 0.3707956917488734
Energy: 0.41602667392490233
Energy: 0.3704452502686832
Energy: 0.3713200064848642
Energy: 0.4158039497393264
Energy: 0.3710270030227196
Energy: 0.3926031508766659
Energy: 0.41097553578944535
Energy: 0.37110263206739613
Energy: 0.4085573839967825
Energy: 0.5303208690800333
Energy: 0.3886258048965668
Energy: 0.3890527613690821
Energy: 0.40849312471619087
Energy: 0.4150113517515329
Energy: 0.3929914682791048
Energy: 0.388194281721641
Energy: 0.4772509892831285
Energy: 0.4083338010580489
Energy: 0.40194573011747686
Energy: 0.4776763697650482
Energy: 0.40843066242102255
Energy: 0.4060042315415821
Energy: 0.44751499530532857
Energy: 0.40714573747364
Energy: 0.39357626646216254
Energy: 0.4570622924378021
Energy: 0.40683343493801644
Energy: 0.41119930402926724
Energy: 0.46311831573158024
Energy: 0.4427079287283075
Energy: 0.4175550744142677
Energy: 0.47907706975755904
Energy: 0.43192212185663714
Energy: 0.5318444251263779
Energy: 0.4018707789820541
Energy: 0.4482221769658521
Energy: 0.4804300221798807
Energy: 0.40201009073326455
Energy: 0.4542580239298911
Energy: 0.5595406135451259
Energy: 0.4322553554675721
Energy: 0.3933472845544632
Energy: 0.47807550772296936
Energy: 0.40657326033331953
Energy: 0.4499237089354668
Energy: 0.39268397996950033
Energy: 0.47186635836145774
Energy: 0.4716392242393015
Energy: 0.3889995378128356
Energy: 0.473239903953444
Energy: 0.45262209948912063

minimum gb energy = 0.3648811249590578 eV
minimum distance =  2.67757879375567 Angstroms
sigma value = 57


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

Energy: 0.6885661777495359
Energy: 0.5048957947673282
Energy: 0.4111699250005251
Energy: 0.3606955330055598
Energy: 0.5112271866908927
Energy: 0.41745631842216857
Energy: 0.4565826959334866
Energy: 0.373387421749977
Energy: 0.37532470884246805
Energy: 0.44931962210103027
Energy: 0.39074329687892895
Energy: 0.3705142135691164
Energy: 0.5294689819061618
Energy: 0.3561461340582356
Energy: 0.3564938391392315
Energy: 0.46404010417626906
Energy: 0.35601877732230786
Energy: 0.3923635351154938
Energy: 0.4561272753229891
Energy: 0.35579924177601796
Energy: 0.40593154828748496
Energy: 0.3932989028172886
Energy: 0.3563846999135062
Energy: 0.4106587504433523
Energy: 0.39443110145921395
Energy: 0.37597775587200116
Energy: 0.3753983941797809
Energy: 0.3949911716119402
Energy: 0.390896175417874
Energy: 0.37093985570726845
Energy: 0.3689553065539334
Energy: 0.3746979165406941
Energy: 0.3552332803628228
Energy: 0.3451775905203717
Energy: 0.39920355804501795
Energy: 0.355653393201305
Energy: 0.36749274570268387
Energy: 0.4036883634891995
Energy: 0.3993130429586119
Energy: 0.35003497512067494
Energy: 0.40157548303861057
Energy: 0.34873877717038826
Energy: 0.4314183236830861
Energy: 0.34441640029993303
Energy: 0.3448383366377136
Energy: 0.35116296421342125
Energy: 0.3392162435851643
Energy: 0.35362140579713225
Energy: 0.3691203989620322
Energy: 0.3637938845314043
Energy: 0.362515953782239
Energy: 0.3702329186341966
Energy: 0.371486331714919
Energy: 0.3674166686508198
Energy: 0.36717425850475105
Energy: 0.33945503542652333
Energy: 0.33715610622904585
Energy: 0.3672620633283097
Energy: 0.33975651599674833
Energy: 0.33719384334495267
Energy: 0.35639279974312216
Energy: 0.35384370541271165
Energy: 0.33962964141914476
Energy: 0.3387429799874251
Energy: 0.35294386264271216
Energy: 0.33613013496273725
Energy: 0.369629525068219
Energy: 0.358252289852744
Energy: 0.35291858907738494
Energy: 0.354721251846463
Energy: 0.35579534588004585
Energy: 0.33640390346945953
Energy: 0.35311603206625725
Energy: 0.3700155862409484
Energy: 0.3381245593567649
Energy: 0.33689148928533247
Energy: 0.3728385549772929
Energy: 0.3382210347988042
Energy: 0.35355395316737553
Energy: 0.33670066948031696
Energy: 0.34731380914717525
Energy: 0.35463686448120946
Energy: 0.35573901442382644
Energy: 0.35307726957691954
Energy: 0.35291221039651566
Energy: 0.33789633677644937
Energy: 0.33661275453914846
Energy: 0.3530399583447161
Energy: 0.33988158856566947
Energy: 0.3360162510348074
Energy: 0.37602381179859684
Energy: 0.36724356980001854
Energy: 0.33943580548044777
Energy: 0.3396259525348308
Energy: 0.37390861187431185
Energy: 0.339104487704779
Energy: 0.3542445919850251
Energy: 0.37387197668019967
Energy: 0.36719485360607745
Energy: 0.33806671405256106
Energy: 0.37141759507582756
Energy: 0.3514574058697275
Energy: 0.3548669934614928
Energy: 0.35257546925728733
Energy: 0.3527911747709762
Energy: 0.3556278884654385
Energy: 0.3521700575681448
Energy: 0.35121451598252157
Energy: 0.39944196655026076
Energy: 0.35096552300384654
Energy: 0.3899937097330727
Energy: 0.40048679591715636
Energy: 0.3537437429345398
Energy: 0.39922409888861793
Energy: 0.45286759403397875
Energy: 0.35515733762784774
Energy: 0.35613743258086317
Energy: 0.391116895560916
Energy: 0.35310516089157556
Energy: 0.37431434193369306
Energy: 0.5018025713677406
Energy: 0.39259468494091954
Energy: 0.3692855824619442
Energy: 0.39358832547994094
Energy: 0.39183930295997865
Energy: 0.3740564197830265
Energy: 0.35350415340133357
Energy: 0.4423678660595118
Energy: 0.38970200473947997
Energy: 0.34857471841836996
Energy: 0.46541602828478285
Energy: 0.3738510899978256
Energy: 0.370088749599075
Energy: 0.4253856125999561
Energy: 0.4192282857925755
Energy: 0.364971697041562
Energy: 0.4616939443286244
Energy: 0.4169105278517708
Energy: 0.4983884376681036
Energy: 0.3921171162952581
Energy: 0.37175808115703923
Energy: 0.41525568460207835
Energy: 0.38972023185120985
Energy: 0.37604640142796975
Energy: 0.5378119072454881
Energy: 0.37082136039682645
Energy: 0.37774614499737863
Energy: 0.4397030072006198
Energy: 0.37107319570635955
Energy: 0.4279230508951393
Energy: 0.5303941393509534
Energy: 0.4217866638481902
Energy: 0.4256743977985133
Energy: 0.4468041226327343
Energy: 0.43810995669704267
Energy: 0.39283565526958497
Energy: 0.35648470801517473
Energy: 0.43048995294361114
Energy: 0.41479878883714266
Energy: 0.3582478162047458
Energy: 0.4260387166427126
Energy: 0.3928634992642392

minimum gb energy = 0.3360162510348074 eV
minimum distance =  2.72340439621535 Angstroms
sigma value = 43


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

Energy: 0.3069110213812453
Energy: 0.4088758486011499
Energy: 0.35926947633070144
Energy: 0.3060958651970866
Energy: 0.41486445571449804
Energy: 0.3409524821197349
Energy: 0.4261851463791498
Energy: 0.3112270924246849
Energy: 0.31051039398543634
Energy: 0.3744288617652631
Energy: 0.33904268141625454
Energy: 0.3097798667281249
Energy: 0.4567799408177451
Energy: 0.2961248746460887
Energy: 0.3045285210994472
Energy: 0.34733422349188914
Energy: 0.2950479935179996
Energy: 0.3064134502110266
Energy: 0.4005493932758483
Energy: 0.30450161893801897
Energy: 0.30681754396863214
Energy: 0.3427866475212684
Energy: 0.3088503982113738
Energy: 0.3529913372123083
Energy: 0.3554392259569457
Energy: 0.3152995822888016
Energy: 0.30604626724970624
Energy: 0.34568679369013916
Energy: 0.31267123962871685
Energy: 0.3107220916727537
Energy: 0.2969892646166424
Energy: 0.31076946370130343
Energy: 0.3002743744626906
Energy: 0.2845748747119748
Energy: 0.35585431927650135
Energy: 0.29217933588905115
Energy: 0.4212931984620835
Energy: 0.3558221969007611
Energy: 0.3560357375500528
Energy: 0.2919403011464191
Energy: 0.3583169935257012
Energy: 0.29098761691293357
Energy: 0.4175138055130776
Energy: 0.283194428953875
Energy: 0.2874234539506169
Energy: 0.2899711061268295
Energy: 0.2832578251138611
Energy: 0.2872706582387587
Energy: 0.3288562043336659
Energy: 0.2867814716563179
Energy: 0.3158410251200408
Energy: 0.32972602405262136
Energy: 0.29506890987028456
Energy: 0.3277583408629535
Energy: 0.32806624591671285
Energy: 0.28273144206714607
Energy: 0.2825738872843025
Energy: 0.32820023863920983
Energy: 0.282254674403396
Energy: 0.28215088828181234
Energy: 0.29446400182684906
Energy: 0.3107776948947242
Energy: 0.2817100117510035
Energy: 0.3011122736683226
Energy: 0.31084086798039096
Energy: 0.27899016061037996
Energy: 0.3300565447510745
Energy: 0.31079218704148487
Energy: 0.31076655472425907
Energy: 0.29086967133874025
Energy: 0.31465117447198765
Energy: 0.27894770633058835
Energy: 0.33018733012408485
Energy: 0.3009580341115418
Energy: 0.30459550234554145
Energy: 0.3040813203631932
Energy: 0.30100238859048983
Energy: 0.30515436738071905
Energy: 0.3004842185053825
Energy: 0.2776919583316884
Energy: 0.30042146782880985
Energy: 0.301376383745893
Energy: 0.29604407942181643
Energy: 0.3005483684819815
Energy: 0.3005713608025717
Energy: 0.27563902791795947
Energy: 0.2752724835200802
Energy: 0.3005419056567271
Energy: 0.27557086752319143
Energy: 0.27777850622965633
Energy: 0.2965339475636216
Energy: 0.29588952365461624
Energy: 0.27416743490216045
Energy: 0.28827733938801414
Energy: 0.29581008446947127
Energy: 0.27504635955076595
Energy: 0.30231257962482616
Energy: 0.29583440283673235
Energy: 0.296440033931746
Energy: 0.29017760427841427
Energy: 0.29588929694469834
Energy: 0.27637244633148517
Energy: 0.2960096108452466
Energy: 0.2996164796326409
Energy: 0.27591430600599237
Energy: 0.2962253218479961
Energy: 0.2977068878006222
Energy: 0.27621114038911865
Energy: 0.29607651032016563
Energy: 0.290777126695382
Energy: 0.2961097167346449
Energy: 0.2963394832834294
Energy: 0.32648393257703734
Energy: 0.2959494795605039
Energy: 0.29579815622516586
Energy: 0.29881560380854955
Energy: 0.2788621548999082
Energy: 0.2989132806454355
Energy: 0.2984120249529505
Energy: 0.2791982016359469
Energy: 0.31237217814063145
Energy: 0.3005960275804592
Energy: 0.30121528985517854
Energy: 0.2988119436234953
Energy: 0.300616118787873
Energy: 0.2794302571331484
Energy: 0.2982078850245289
Energy: 0.30063187058029134
Energy: 0.2774561816730163
Energy: 0.27700762817098795
Energy: 0.30053344031549456
Energy: 0.276088731148905
Energy: 0.3107285774725038
Energy: 0.27755347019471
Energy: 0.2771591753656305
Energy: 0.310691272608906
Energy: 0.27675160311002955
Energy: 0.27693857913184244
Energy: 0.3105422433169535
Energy: 0.2821870493288071
Energy: 0.31053657281150343
Energy: 0.31148684665060583
Energy: 0.29145935801666056
Energy: 0.31056519323269965
Energy: 0.4074692528852938
Energy: 0.2918680175913014
Energy: 0.29735951245859255
Energy: 0.2965214318348992
Energy: 0.29214991455358236
Energy: 0.3132013976267106
Energy: 0.40722557953818633
Energy: 0.327900530296404
Energy: 0.32807499056053946
Energy: 0.2816877178735915
Energy: 0.3279762395376078
Energy: 0.2812834250788727
Energy: 0.29590147057613186
Energy: 0.32798571148371675
Energy: 0.29064557921473616
Energy: 0.2942448148366673
Energy: 0.32789027189651465
Energy: 0.2853167040941627
Energy: 0.3375642725208388
Energy: 0.2925828408420318
Energy: 0.2925806734174446
Energy: 0.33788366513535095
Energy: 0.2934791045312843
Energy: 0.29226850203812105
Energy: 0.3570693297137634
Energy: 0.2954341512642518
Energy: 0.3406080249134639
Energy: 0.35790545155092846
Energy: 0.2849002199844258
Energy: 0.3557718785581848
Energy: 0.4327739048225392
Energy: 0.2895061783749064
Energy: 0.29521346992124886
Energy: 0.3147854139080325
Energy: 0.28982583344711343
Energy: 0.29520625671967077
Energy: 0.4321884817732777
Energy: 0.3395679349760136
Energy: 0.3380831072798538
Energy: 0.3396507485230099
Energy: 0.3396371147790751
Energy: 0.30969183988690857
Energy: 0.30138392249598217
Energy: 0.34834958487950873
Energy: 0.3182050172644569
Energy: 0.294174757747907
Energy: 0.3759072133360328
Energy: 0.3006586841710467
Energy: 0.3664779514416162
Energy: 0.344186907465695
Energy: 0.3377204095821979
Energy: 0.3439930609701174
Energy: 0.3413643003825468
Energy: 0.3382013266780188
Energy: 0.4329123791001669
Energy: 0.31877365392145185
Energy: 0.31979493657367575
Energy: 0.3405439003367187
Energy: 0.3484258384870033
Energy: 0.37455577290291875
Energy: 0.45743617862959024
Energy: 0.3067184061377601
Energy: 0.3450558974265385
Energy: 0.3523489261046054
Energy: 0.30630599326718927
Energy: 0.3449871162471129
Energy: 0.4393603770019246
Energy: 0.344188146714999
Energy: 0.33782429498280914
Energy: 0.3743690116268397
Energy: 0.37515232314619973
Energy: 0.3066862258403051

minimum gb energy = 0.27416743490216045 eV
minimum distance =  2.72287940889916 Angstroms
sigma value = 81


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

Energy: 0.012706661643233344
Energy: 0.012956143654321245
Energy: 0.012963472712624043
Energy: 0.01425808517510894
Energy: 0.014533139099119522
Energy: 0.01319977714087335
Energy: 0.37867808514761425
Energy: 0.013179596161179004
Energy: 0.013072688346814049
Energy: 0.033671007165916214
Energy: 0.01446157444949661
Energy: 0.013188514651634379
Energy: 0.032957926628752375
Energy: 0.012936678462376713
Energy: 0.01309082912470542
Energy: 0.03294897698941651
Energy: 0.012983901180926833
Energy: 0.03337571758976669
Energy: 0.014879013546210941
Energy: 0.01296651313624299
Energy: 0.01302978890655012
Energy: 0.012898165841956619
Energy: 0.013047354484304908
Energy: 0.03359971277264001
Energy: 0.033341294478136406
Energy: 0.03302704263769565
Energy: 0.03300102494936087
Energy: 0.033919131384083236
Energy: 0.03292286016277291
Energy: 0.0330631744219596
Energy: 0.013313860519497952
Energy: 0.01304574422474377
Energy: 0.01292064764736372
Energy: 0.014383776286019402
Energy: 0.013407571538715411
Energy: 0.012912344575018006
Energy: 0.033150023665707094
Energy: 0.01321648360243561
Energy: 0.013106422287653813
Energy: 0.03305999368202492
Energy: 0.013034025078058719
Energy: 0.01319588118618479
Energy: 0.03298449626722071
Energy: 0.013027110940566496
Energy: 0.012952743618759177
Energy: 0.03294753667316673
Energy: 0.01288558481144834
Energy: 0.034606354620826466
Energy: 0.013509129287813636
Energy: 0.013102337815999976
Energy: 0.03476337471084289
Energy: 0.01453121531618723
Energy: 0.013016547255372376
Energy: 0.034432340339040315
Energy: 0.013338313225764774
Energy: 0.032933439908405346
Energy: 0.03291641161754604
Energy: 0.013290569607496583
Energy: 0.03289026627655827
Energy: 0.0330610213989056

minimum gb energy = 0.012706661643233344 eV
minimum distance =  2.8666769526005 Angstroms
sigma value = 3


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

Energy: 0.3470057405624155
Energy: 0.33890583665941226
Energy: 0.3463053021653282
Energy: 0.3178301797404533
Energy: 0.3390912331188614
Energy: 0.3193461761412156
Energy: 0.3514394548486813
Energy: 0.34082866331164946
Energy: 0.34542396084595894
Energy: 0.34156088837989385
Energy: 0.3413691796926057
Energy: 0.34581560289935176
Energy: 0.3508506274780425
Energy: 0.3265056242989854
Energy: 0.32687517666529076
Energy: 0.33993686375322757
Energy: 0.31937516817407824
Energy: 0.33672442585942647
Energy: 0.3324520645656243
Energy: 0.3268894356956796
Energy: 0.3269775536767139
Energy: 0.3294561516267192
Energy: 0.30089874902614544
Energy: 0.3398227049958713
Energy: 0.3007141620392488
Energy: 0.34601779499042434
Energy: 0.34534564765115155
Energy: 0.3009096978367998
Energy: 0.3407146432775191
Energy: 0.3454602304337912
Energy: 0.33027272334212426
Energy: 0.3449888484430008
Energy: 0.33415161065198795
Energy: 0.2759420352127567
Energy: 0.345371452442407
Energy: 0.31682073277878314
Energy: 0.33257134748765965
Energy: 0.30748984828985854
Energy: 0.34124636144707077
Energy: 0.3324355453835974
Energy: 0.3104616882111574
Energy: 0.33983559900942995
Energy: 0.3293748398320894
Energy: 0.3248911457737816
Energy: 0.32405228897774224
Energy: 0.32944924670630665
Energy: 0.26501871145327177
Energy: 0.31179009652757733
Energy: 0.35153408588745255
Energy: 0.32460465263364174
Energy: 0.3380499176381677
Energy: 0.3419431158025365
Energy: 0.2814962051247564
Energy: 0.3395363864825529
Energy: 0.3169739235418929
Energy: 0.3068856667214925
Energy: 0.30707843004535645
Energy: 0.31672437007895776
Energy: 0.3102058542312742
Energy: 0.3174033563135104
Energy: 0.33239954690021195
Energy: 0.32864554620849945
Energy: 0.32978784362586594
Energy: 0.27154676434997993
Energy: 0.27523181467965424
Energy: 0.31317844750839147
Energy: 0.2862788387745049
Energy: 0.3329641345812644
Energy: 0.333270372224785
Energy: 0.28606477321028595
Energy: 0.2839866593748031
Energy: 0.28565448722589204
Energy: 0.2876737310789171
Energy: 0.3059888405563966
Energy: 0.31765535984111826
Energy: 0.2877339478368377
Energy: 0.26194007067026864
Energy: 0.3026479763389319
Energy: 0.33153048718166966
Energy: 0.2995970138475521
Energy: 0.31857368679202985
Energy: 0.2888958894818652
Energy: 0.2726385094166146
Energy: 0.3185432828566616
Energy: 0.3287082144610935
Energy: 0.2718250956571072
Energy: 0.27159418929547
Energy: 0.32827299903662754
Energy: 0.27512513666722477
Energy: 0.27168104842037605
Energy: 0.32781346945938633
Energy: 0.31053801475787585
Energy: 0.3103283030197556
Energy: 0.266344013631419
Energy: 0.3249667177117776
Energy: 0.31049468994588075
Energy: 0.26431708047561164
Energy: 0.3106678514145421
Energy: 0.30947281168325214
Energy: 0.2643478683983682
Energy: 0.2739525254735551
Energy: 0.2639428956902938
Energy: 0.2648443305666156
Energy: 0.30676178045599783
Energy: 0.3071570106273877
Energy: 0.2649976479930694
Energy: 0.26614532108522665
Energy: 0.30754819534287126
Energy: 0.3225683611437373
Energy: 0.28854801474517877
Energy: 0.30620539795412793
Energy: 0.2660621284341894
Energy: 0.26477421266223616
Energy: 0.306524213231174
Energy: 0.3255763780368604
Energy: 0.26401684484717614
Energy: 0.2638686762750657
Energy: 0.32590612717214457
Energy: 0.26830900561201587
Energy: 0.2640077268856526
Energy: 0.32556812440287575
Energy: 0.3086596886529147
Energy: 0.3104454408465737
Energy: 0.32499336972373694
Energy: 0.3099399184313955
Energy: 0.3099298958862849
Energy: 0.27442119159884876
Energy: 0.308710270647369
Energy: 0.30920306184407265
Energy: 0.2726489723859839
Energy: 0.3092589882005177
Energy: 0.2717573020427571
Energy: 0.2717731912706044
Energy: 0.2876417958513997
Energy: 0.30611064150476613
Energy: 0.2718076470066124
Energy: 0.2883049176916933
Energy: 0.3171505081421881
Energy: 0.33035943994202194
Energy: 0.2872819035795134
Energy: 0.28672640597076426
Energy: 0.2661367797233256
Energy: 0.28685729563581625
Energy: 0.31033700584926865
Energy: 0.3401993629570103
Energy: 0.28609027253142866
Energy: 0.2858507853188219
Energy: 0.33942877269455424
Energy: 0.2904478745910765
Energy: 0.2861760620624126
Energy: 0.3406404175940826
Energy: 0.32038277489671374
Energy: 0.3205710422233629
Energy: 0.34030342602640784
Energy: 0.30582665138405274
Energy: 0.3299053146974647
Energy: 0.30924368830750165
Energy: 0.3198418827954816
Energy: 0.3202050829079824
Energy: 0.3093290563313349
Energy: 0.34309044763702407
Energy: 0.31776041710035247
Energy: 0.2921650041428986
Energy: 0.354053164316793
Energy: 0.3024367299348135
Energy: 0.2923017197100287
Energy: 0.3560471500918485
Energy: 0.34420618698320177
Energy: 0.334159101195089
Energy: 0.3300232070051879
Energy: 0.32673540412365976
Energy: 0.27423874493193895
Energy: 0.33025645975458945
Energy: 0.3154914061414059
Energy: 0.30847585378714626
Energy: 0.3399071436406505
Energy: 0.3385676095589462
Energy: 0.3083506005960463
Energy: 0.3306902160573787
Energy: 0.3380343913273112
Energy: 0.33453640851972466
Energy: 0.2871297937639661
Energy: 0.32696164009049644
Energy: 0.33426056597800274
Energy: 0.26636803764223554
Energy: 0.3270876426570118
Energy: 0.35023634423949423
Energy: 0.32821104848511734
Energy: 0.34647198378540894
Energy: 0.33915061869752966
Energy: 0.2878848378794819
Energy: 0.365235214598657
Energy: 0.3066248822359484
Energy: 0.32940414269396906
Energy: 0.3336063800685036
Energy: 0.3067996379128409
Energy: 0.3333151599308108
Energy: 0.3250276176815324

minimum gb energy = 0.26194007067026864 eV
minimum distance =  2.67667637199044 Angstroms
sigma value = 67


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

Energy: 0.4167170097281813
Energy: 0.4105285806488573
Energy: 0.4133830053321848
Energy: 0.34912337041515534
Energy: 0.4108143619883555
Energy: 0.4137162959156274
Energy: 0.42906510388999497
Energy: 0.4144846384947217
Energy: 0.4183205088068391
Energy: 0.4124643398445952
Energy: 0.41447038362900557
Energy: 0.41390138969106927
Energy: 0.42226437019770635
Energy: 0.3797997687326664
Energy: 0.40591765635508936
Energy: 0.4104629003806337
Energy: 0.3593596581222418
Energy: 0.4073495523788594
Energy: 0.39411868150449636
Energy: 0.3958518179450556
Energy: 0.40145021389386615
Energy: 0.3944122536686298
Energy: 0.39707391843751144
Energy: 0.40861787267300864
Energy: 0.38872571636830094
Energy: 0.41720704646629797
Energy: 0.41526065107480015
Energy: 0.388782054090881
Energy: 0.4109995306900332
Energy: 0.41327483502561363
Energy: 0.3992549601997891
Energy: 0.4110273495150712
Energy: 0.3994864634019243
Energy: 0.36242493506458157
Energy: 0.41074102336988955
Energy: 0.39907671385731214
Energy: 0.3991954616880894
Energy: 0.4032333164708085
Energy: 0.40378769839301576
Energy: 0.39893900357834416
Energy: 0.4037269535650003
Energy: 0.4002300906613241
Energy: 0.39436092841123854
Energy: 0.34907291481700037
Energy: 0.3934069676681222
Energy: 0.39477893261995617
Energy: 0.3461981758950671
Energy: 0.39673253832876676
Energy: 0.41362310044417094
Energy: 0.4102520076731946
Energy: 0.41024627179372186
Energy: 0.40071147135081653
Energy: 0.36510668090224285
Energy: 0.41213069037541217
Energy: 0.3834161694822074
Energy: 0.3675594643707242
Energy: 0.36534631258238925
Energy: 0.4188771456065981
Energy: 0.36600414124790953
Energy: 0.37756589061795676
Energy: 0.41164939473674944
Energy: 0.395386819071272
Energy: 0.3952854149539345
Energy: 0.3485884913150872
Energy: 0.40486103394140194
Energy: 0.3958540451268168
Energy: 0.3521472943765181
Energy: 0.3685101499145476
Energy: 0.39319470247805943
Energy: 0.3521967073356711
Energy: 0.36667424066721094
Energy: 0.34808141616162386
Energy: 0.34778978918631503
Energy: 0.35255655695093435
Energy: 0.38821751093406953
Energy: 0.3477791373526542
Energy: 0.3491920742497359
Energy: 0.3480828043682914
Energy: 0.40441487338982535
Energy: 0.38970706333672667
Energy: 0.3885945995755147
Energy: 0.3483577093683009
Energy: 0.37921521567380156
Energy: 0.38779006401215166
Energy: 0.40454339749132867
Energy: 0.35048276819743307
Energy: 0.34837608790744923
Energy: 0.4046082714310402
Energy: 0.3489029310636695
Energy: 0.3489167460649918
Energy: 0.40429509585502227
Energy: 0.3965804111660227
Energy: 0.3946802657216528
Energy: 0.3657514175616192
Energy: 0.3829689039620176
Energy: 0.3931345085849579
Energy: 0.3670802193061615
Energy: 0.3463189326609061
Energy: 0.3871229368489178
Energy: 0.3676728759083779
Energy: 0.3429291456914361
Energy: 0.3655101836109567
Energy: 0.3645645727819033
Energy: 0.41166411365532257
Energy: 0.41260358165761146
Energy: 0.3643989800928195
Energy: 0.36647698397867157
Energy: 0.3651264918124812
Energy: 0.40001668810856994
Energy: 0.41304545250804225
Energy: 0.39826290216183624
Energy: 0.3522943445194923
Energy: 0.41321441434208733
Energy: 0.39796547457825754
Energy: 0.4001772233283568
Energy: 0.40114716405369044
Energy: 0.4020368983783748
Energy: 0.399012848511519
Energy: 0.3954977205093109
Energy: 0.39535234653200113
Energy: 0.4000918605279549
Energy: 0.38046092753906924
Energy: 0.407727497576783
Energy: 0.40018688141779124
Energy: 0.3927653149290574
Energy: 0.41634980328715676
Energy: 0.42158268369576385
Energy: 0.34900780800803793
Energy: 0.40690893161875835
Energy: 0.41005726829534056
Energy: 0.35039447121672035
Energy: 0.4146693172154913
Energy: 0.39817212438615834
Energy: 0.39832580792790157
Energy: 0.40271619875348946
Energy: 0.3987930084616315
Energy: 0.3962415507549775
Energy: 0.40054789168108923

minimum gb energy = 0.3429291456914361 eV
minimum distance =  2.66665341464787 Angstroms
sigma value = 33


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

Energy: 0.4852080816461649
Energy: 0.48831569372438627
Energy: 0.4894647908198783
Energy: 0.4222862201444365
Energy: 0.48063916529375295
Energy: 0.4695954912604738
Energy: 0.4820429216632485
Energy: 0.44471595638141503
Energy: 0.4450236109253703
Energy: 0.4410040646340879
Energy: 0.44497406085995506
Energy: 0.4440273691250707
Energy: 0.488814482332812
Energy: 0.44100854232391273
Energy: 0.4510337379447068
Energy: 0.4735057375252241
Energy: 0.439621249857844
Energy: 0.4658850439957937
Energy: 0.4418804705920022
Energy: 0.4416349979018973
Energy: 0.454507699553678
Energy: 0.4418404012235993
Energy: 0.45181291604420076
Energy: 0.4649180732968369
Energy: 0.44125635829736076
Energy: 0.44675993968026584
Energy: 0.4462721709142007
Energy: 0.44157893759026134
Energy: 0.48098959958414267
Energy: 0.4466067285231066
Energy: 0.4636430993592899
Energy: 0.40970682314056805
Energy: 0.4787190599762432
Energy: 0.40901560421673067
Energy: 0.4093868168837611
Energy: 0.43679971111149996
Energy: 0.44118584540668637
Energy: 0.446185688865408
Energy: 0.4469874382172688
Energy: 0.4413660645455491
Energy: 0.4452595702175066
Energy: 0.4448292103839438
Energy: 0.4421660201912914
Energy: 0.4091815112114206
Energy: 0.4099148818873381
Energy: 0.4420487254287994
Energy: 0.41233860953489215
Energy: 0.444229438682594
Energy: 0.4627346212643108
Energy: 0.44159941618989795
Energy: 0.44314224274332725
Energy: 0.414141429007932
Energy: 0.40930861483927455
Energy: 0.45627733413114496
Energy: 0.463799680927321
Energy: 0.41048630177248624
Energy: 0.41033831150277933
Energy: 0.46392792628446444
Energy: 0.41045362104603433
Energy: 0.40963008230760545
Energy: 0.46377298087680446
Energy: 0.41073017782621074
Energy: 0.4456415360557985
Energy: 0.41143567271314463
Energy: 0.4378770342342254
Energy: 0.40988477193942785
Energy: 0.40929013794244234
Energy: 0.4091344930513417
Energy: 0.40984064656285246
Energy: 0.40937410494461646
Energy: 0.4198832880725924
Energy: 0.4102453504506076
Energy: 0.4102054699742206
Energy: 0.44576312046596617
Energy: 0.4279672276161137
Energy: 0.41031425374353225
Energy: 0.41540211482342704
Energy: 0.4098380387295564
Energy: 0.4008495250539056
Energy: 0.445055706511396
Energy: 0.44227889455053504
Energy: 0.4010219367654099
Energy: 0.4643392825463891
Energy: 0.3985826106816159
Energy: 0.3987308782731223
Energy: 0.4446291454727186
Energy: 0.4457919643228123
Energy: 0.40241791389875675
Energy: 0.4424390376021458
Energy: 0.4454060333481038
Energy: 0.44186566391612714
Energy: 0.44773315324238006
Energy: 0.46545876348726145
Energy: 0.4429915655119279
Energy: 0.4160831798314828
Energy: 0.4470445031901397
Energy: 0.4888680223082558
Energy: 0.41585606010255943
Energy: 0.41582376271128196
Energy: 0.4735409739682482
Energy: 0.41849549974977907
Energy: 0.46635069097199655
Energy: 0.49273937364018966
Energy: 0.4426236220986155
Energy: 0.44499485935851063
Energy: 0.44016333121288426
Energy: 0.4417990692948347
Energy: 0.4748809495771028
Energy: 0.45875401997974546
Energy: 0.4746285261752298
Energy: 0.47225019438952504
Energy: 0.4117683450663136
Energy: 0.474688863532607
Energy: 0.45890724634657337
Energy: 0.4585747482755974
Energy: 0.4443465314797529
Energy: 0.4465979056543972
Energy: 0.4592083910792593
Energy: 0.44445948679150754
Energy: 0.4103351546443116
Energy: 0.4920720505838097
Energy: 0.4629367562776626
Energy: 0.4646628639958773
Energy: 0.4741846382253781
Energy: 0.44806531792754795
Energy: 0.47954956335775395
Energy: 0.4772274905770278
Energy: 0.44082936792035565
Energy: 0.4510751304084817
Energy: 0.4778980411690577
Energy: 0.4391197746946474
Energy: 0.46462252448862035
Energy: 0.44164540889700926
Energy: 0.41060105492247234
Energy: 0.4433842765430783
Energy: 0.4419883751495972
Energy: 0.444911940675053
Energy: 0.443994054311665
Energy: 0.4633789436690219
Energy: 0.4101294740704755
Energy: 0.4762904004150787
Energy: 0.40631788934936214
Energy: 0.40987371680841245
Energy: 0.43883216470701725
Energy: 0.4410547534074865
Energy: 0.4460666399312824
Energy: 0.4465400001122643
Energy: 0.4412201688614717
Energy: 0.44603328531671993
Energy: 0.44466120893013156
Energy: 0.4416590260385398
Energy: 0.40899422416243536
Energy: 0.4100056486512866
Energy: 0.4416502237069839
Energy: 0.4117176969215557
Energy: 0.44425694830405815
Energy: 0.46228522113196785
Energy: 0.40946953966989114
Energy: 0.44297853308367907
Energy: 0.41477507905738475
Energy: 0.4180635342729799
Energy: 0.4568218031182238
Energy: 0.46311606632114494
Energy: 0.4104389841810782
Energy: 0.4103658676823409
Energy: 0.46472116038799455
Energy: 0.41074711433446176
Energy: 0.4097142786552344
Energy: 0.4630962808623968
Energy: 0.4385705035887875
Energy: 0.4109620911648218
Energy: 0.4123414305468537
Energy: 0.4376591607515532
Energy: 0.40980792498464613
Energy: 0.40958331744075926
Energy: 0.4094229337252675
Energy: 0.40944084104220474
Energy: 0.40953806294929584
Energy: 0.4161947506316593
Energy: 0.4099342105207744
Energy: 0.4117542082816344
Energy: 0.4455849978441353
Energy: 0.4100685892333615
Energy: 0.4102202845227244
Energy: 0.41412589450914583
Energy: 0.4098556643303823
Energy: 0.4005284097080801
Energy: 0.44526073189337323
Energy: 0.4475452741139381
Energy: 0.40069226538083086
Energy: 0.46536178356625335
Energy: 0.3987347929115894
Energy: 0.39854574777576346
Energy: 0.44512751386362776
Energy: 0.4458220693415872
Energy: 0.46516708024379694
Energy: 0.44293099997902347
Energy: 0.4301954115945359
Energy: 0.4424529103973099
Energy: 0.4520798794543703
Energy: 0.44398417188172057
Energy: 0.4440638686217799
Energy: 0.41649956217867484
Energy: 0.44675350672033237
Energy: 0.4893648792709394
Energy: 0.41564985442739893
Energy: 0.41592667826605373
Energy: 0.47519701221079946
Energy: 0.39901575806207273
Energy: 0.46667881904770014
Energy: 0.49226150350189835
Energy: 0.4446671026124742
Energy: 0.4757222715325189
Energy: 0.4436824075129789
Energy: 0.44310105469767486
Energy: 0.4439848696817217
Energy: 0.46157145903262703
Energy: 0.4749951610849643
Energy: 0.4742479608951936
Energy: 0.41463322603535074
Energy: 0.47531857094971225
Energy: 0.4585600621752461

minimum gb energy = 0.39854574777576346 eV
minimum distance =  2.69869939367941 Angstroms
sigma value = 41


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

Energy: 0.6726134377770259
Energy: 0.5280536181818241
Energy: 0.48676483042247826
Energy: 0.48771629661356863
Energy: 0.5286844620450329
Energy: 0.4859565654828786
Energy: 0.5708148667519569
Energy: 0.5114890865805121
Energy: 0.4975486450080617
Energy: 0.5089211937649631
Energy: 0.5103263866287482
Energy: 0.4978674923129436
Energy: 0.570759867366265
Energy: 0.48640401328655264
Energy: 0.4852284619915909
Energy: 0.5094839314722833
Energy: 0.48762345841502436
Energy: 0.4847706605216678
Energy: 0.512354980549515
Energy: 0.48654650321571924
Energy: 0.4853361003004192
Energy: 0.5122197000671721
Energy: 0.4875731922993825
Energy: 0.48821820632214635
Energy: 0.5010871267452237
Energy: 0.49646145541505066
Energy: 0.48724507772928083
Energy: 0.5012602307223843
Energy: 0.5113366306647745
Energy: 0.4869660981776112
Energy: 0.5124316845918235
Energy: 0.4968275375482231
Energy: 0.48676787903155266
Energy: 0.4886263486675882
Energy: 0.5163473677778773
Energy: 0.48668247327274544
Energy: 0.5003020188224501
Energy: 0.4974320544483277
Energy: 0.48711291571589715
Energy: 0.500359989586343
Energy: 0.4880638770606865
Energy: 0.4885985985010989
Energy: 0.5033472409672243
Energy: 0.48826086919095474
Energy: 0.48674459905427436
Energy: 0.5040734458432772
Energy: 0.48934126267731365
Energy: 0.4884736124145104
Energy: 0.534488825727938
Energy: 0.48804521826137
Energy: 0.4867543362736295
Energy: 0.47747168755358593
Energy: 0.49719618558553075
Energy: 0.48700772750613064
Energy: 0.5148298783566808
Energy: 0.504456595144072
Energy: 0.4883649358649364
Energy: 0.48903368499134375
Energy: 0.5015801259875572
Energy: 0.48611443356537926
Energy: 0.5090320623376849
Energy: 0.4968270539248186
Energy: 0.48884842898650527
Energy: 0.48750182885644283
Energy: 0.4767502976628623
Energy: 0.48890411043295706
Energy: 0.5851732181712108
Energy: 0.47654276914130256
Energy: 0.4768788540924971
Energy: 0.5858145426471825
Energy: 0.47697736816550407
Energy: 0.47761383923351836
Energy: 0.5757181597914746
Energy: 0.4895510917726876
Energy: 0.4956004722837608
Energy: 0.5095439326393193
Energy: 0.5026193350071093
Energy: 0.49737849908481774
Energy: 0.5474092682417497
Energy: 0.5019928644362075
Energy: 0.47716756256951726
Energy: 0.47843825615522606
Energy: 0.5103682497476582
Energy: 0.47719066195646476

minimum gb energy = 0.47654276914130256 eV
minimum distance =  2.68173075731751 Angstroms
sigma value = 11


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

Energy: 0.5878169176531445
Energy: 0.6096968675400457
Energy: 0.6384548839398566
Energy: 0.5871344561012275
Energy: 0.6290244144536572
Energy: 0.5750604849198132
Energy: 0.6627064426200394
Energy: 0.5667621571515014
Energy: 0.5774800191513924
Energy: 0.5821454691433929
Energy: 0.5667627955619738
Energy: 0.5755629379130015
Energy: 0.6287956554618016
Energy: 0.5729630411457917
Energy: 0.5704055723310075
Energy: 0.5736725391440197
Energy: 0.5676445980659431
Energy: 0.5723630907669217
Energy: 0.5822522592468212
Energy: 0.5714716862061332
Energy: 0.5726628015515454
Energy: 0.5664785760182018
Energy: 0.5690676518257409
Energy: 0.5740237882782453
Energy: 0.5852228202354521
Energy: 0.5672788496506987
Energy: 0.5763460667727467
Energy: 0.5812046589573412
Energy: 0.566749491611664
Energy: 0.5759330655756881
Energy: 0.5809468503662872
Energy: 0.5672292532654607
Energy: 0.5733341626080368
Energy: 0.5752385362285011
Energy: 0.5755870180307047
Energy: 0.571762662938378
Energy: 0.5804385495255164
Energy: 0.5718329189780417
Energy: 0.5726478325282468
Energy: 0.5805998918932797
Energy: 0.571563059396862
Energy: 0.5739005027749828
Energy: 0.577946816742539
Energy: 0.5770439731122157
Energy: 0.5770742141842133
Energy: 0.5667205190638025
Energy: 0.5741604847150319
Energy: 0.5765101093110131
Energy: 0.563115109393255
Energy: 0.5753253202021918
Energy: 0.5740659490118954
Energy: 0.567998448107581
Energy: 0.5755272742831437
Energy: 0.574516906552077
Energy: 0.5741204810979399
Energy: 0.5750911281000892
Energy: 0.5726143365986066
Energy: 0.5733719660744191
Energy: 0.5758057108656088
Energy: 0.5744556957704566
Energy: 0.5782609906278098
Energy: 0.5762706491542966
Energy: 0.5758807635528513
Energy: 0.5667121331263485
Energy: 0.5836887395495258
Energy: 0.5765723243732196
Energy: 0.5685923273115306
Energy: 0.5754062944999484
Energy: 0.5768073446999681
Energy: 0.5688129113209052
Energy: 0.5680278791021058
Energy: 0.5730908765232234
Energy: 0.5663127629687197
Energy: 0.5725382527103968
Energy: 0.5719062200302122
Energy: 0.5661998118410251
Energy: 0.5738762832130062
Energy: 0.5731278156476647
Energy: 0.5691473337331128
Energy: 0.5753781474158695
Energy: 0.5742929662015198
Energy: 0.5730585503228679
Energy: 0.5907637423427344
Energy: 0.5745515007875119
Energy: 0.5665360296958579
Energy: 0.5730905351386996
Energy: 0.5718529102883222
Energy: 0.5667154458725246
Energy: 0.5742388013628691
Energy: 0.5717499050293359
Energy: 0.5624579154302135
Energy: 0.5733881333868428
Energy: 0.5720573244007464
Energy: 0.5632358866122684
Energy: 0.5754013786687411
Energy: 0.5730290911426165
Energy: 0.5624179214520406
Energy: 0.5734469479721809
Energy: 0.5734579108284806
Energy: 0.5625708655858114
Energy: 0.5711883436530455
Energy: 0.5672057202118364
Energy: 0.5951990544775191
Energy: 0.5935799563633741
Energy: 0.5934865247881481
Energy: 0.5814680379175338
Energy: 0.599034750506894
Energy: 0.5709140407465966
Energy: 0.5723809720183526
Energy: 0.5696726642169392
Energy: 0.5726482936923827
Energy: 0.57247470833757
Energy: 0.5690241680843301
Energy: 0.5723425364785071
Energy: 0.5817963816201123
Energy: 0.5750131660630611
Energy: 0.5727596807501698
Energy: 0.5724191091174541
Energy: 0.5631949777652567
Energy: 0.5685914572739332
Energy: 0.6125398356861635
Energy: 0.5751647333320301
Energy: 0.5683176054778891
Energy: 0.5705501062936326
Energy: 0.5728143357732434
Energy: 0.5740008494445521
Energy: 0.5862812259597373
Energy: 0.5729544103263473
Energy: 0.5753916114697732
Energy: 0.5725677796505987
Energy: 0.5705998972720915
Energy: 0.5718320911978283
Energy: 0.5721771686516267
Energy: 0.5740716930971653
Energy: 0.5731409454747017
Energy: 0.5668290639854446
Energy: 0.5730279212815281
Energy: 0.5746249851124394
Energy: 0.612392555053591
Energy: 0.5670762743540572
Energy: 0.5673413270687694
Energy: 0.5685600274026061
Energy: 0.5692858570449385
Energy: 0.5723965695309308
Energy: 0.614905287736652
Energy: 0.5739683122474241
Energy: 0.5756169698456943
Energy: 0.5994250938618337
Energy: 0.5752942483384433
Energy: 0.5678928892455669
Energy: 0.6085700592430375
Energy: 0.56881607705091
Energy: 0.5728148014977191
Energy: 0.5815686092416391
Energy: 0.5674238977017352
Energy: 0.5723344820928586
Energy: 0.6065108814219995
Energy: 0.5623319602701515
Energy: 0.5756528687203575
Energy: 0.5760328589532479
Energy: 0.5637942978769944
Energy: 0.5719462231180692
Energy: 0.606007958939531
Energy: 0.5748826739541344
Energy: 0.5724288350991683
Energy: 0.5740480190318807
Energy: 0.5691804016613516
Energy: 0.5718420154620268
Energy: 0.6102762168986812
Energy: 0.5658901355944107
Energy: 0.5718225779190129
Energy: 0.5736770231428439
Energy: 0.5726846582948876
Energy: 0.570347815740375
Energy: 0.6622114033445928
Energy: 0.5697349619760773
Energy: 0.5832149590148767
Energy: 0.5735623961981982
Energy: 0.5663325471227566
Energy: 0.572112160582432
Energy: 0.5822499695923808
Energy: 0.5697405282614182
Energy: 0.5769612123097916
Energy: 0.5632271676552554
Energy: 0.5688683136581546
Energy: 0.5735512010400257

minimum gb energy = 0.5623319602701515 eV
minimum distance =  2.67287217101415 Angstroms
sigma value = 57


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

Energy: 0.7832600287681999
Energy: 0.5835577634684113
Energy: 0.5596165353970086
Energy: 0.579276184807517
Energy: 0.5831170877929044
Energy: 0.582848010697745
Energy: 0.6086291703628702
Energy: 0.5765471944104432
Energy: 0.572581679865214
Energy: 0.576159836467953
Energy: 0.5764144293305669
Energy: 0.5721560820750784
Energy: 0.5720462788475427
Energy: 0.5832777964328143
Energy: 0.5822673320326095
Energy: 0.6213084522332818
Energy: 0.5703818702383955
Energy: 0.5764512925688366
Energy: 0.5721426415389685
Energy: 0.5762813063304865
Energy: 0.5723781927047477
Energy: 0.5728912813783917
Energy: 0.5707290781771913
Energy: 0.5758819307667327
Energy: 0.5719910731237368
Energy: 0.5754300290383249
Energy: 0.5757391239326641
Energy: 0.5737760407339337
Energy: 0.5746879882908911
Energy: 0.5718603483295699
Energy: 0.5724345223032872
Energy: 0.5763481456282106
Energy: 0.5763550961527434
Energy: 0.5740376661139837
Energy: 0.5735917005540422
Energy: 0.5726122988295544
Energy: 0.5718739881749382
Energy: 0.5841165492838339
Energy: 0.5857314101701321
Energy: 0.5733989857325613
Energy: 0.5822286962073026
Energy: 0.5929242682944372
Energy: 0.6274248453859513
Energy: 0.5761321920715494
Energy: 0.5757128282430765
Energy: 0.5758851305754751
Energy: 0.5752097505552466
Energy: 0.5718777136999582
Energy: 0.5592821940335619
Energy: 0.5755187568380626
Energy: 0.5836479479329041
Energy: 0.5624362294674078
Energy: 0.5738719854771073
Energy: 0.5600517865361093
Energy: 0.5587765689095243
Energy: 0.5754343314162975
Energy: 0.5833139765318232
Energy: 0.5621801318423246
Energy: 0.5741108787918924
Energy: 0.5602356370360353
Energy: 0.6270444318379435
Energy: 0.5766160156055131
Energy: 0.5775566935021719
Energy: 0.5759838554333073
Energy: 0.5752106936409787
Energy: 0.5715759862837133
Energy: 0.5729091666598916
Energy: 0.5852912169108678
Energy: 0.5846893625635161
Energy: 0.5733233261659834
Energy: 0.5706234379514162
Energy: 0.576531372337461
Energy: 0.5711046339891642
Energy: 0.5764094158132846
Energy: 0.5718563210223175
Energy: 0.572329529319479
Energy: 0.576815398505419
Energy: 0.5719723171859227
Energy: 0.5725844035513225
Energy: 0.5752163438828004
Energy: 0.5770963804668228
Energy: 0.5760818485384408
Energy: 0.5755263945796143
Energy: 0.5765794243645708
Energy: 0.5838157195045393
Energy: 0.5816228537526138
Energy: 0.5721752193133628
Energy: 0.5748433169342855
Energy: 0.5783375137953932
Energy: 0.5721048309145689
Energy: 0.6196211839065243
Energy: 0.5821858084484928
Energy: 0.581107569801761
Energy: 0.5736294582407928
Energy: 0.5792518183426665
Energy: 0.5725918223289782
Energy: 0.5593662883527821
Energy: 0.5768281921859232
Energy: 0.5728144883959385
Energy: 0.5595056224012824
Energy: 0.5750770811413536
Energy: 0.5730405821260758

minimum gb energy = 0.5587765689095243 eV
minimum distance =  2.67413104669924 Angstroms
sigma value = 9


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

Energy: 0.6697074312943613
Energy: 0.6375975699824853
Energy: 0.6084789895831586
Energy: 0.6164239541294774
Energy: 0.6248252673078936
Energy: 0.6077499268948241
Energy: 0.6167083169015742
Energy: 0.609614076877797
Energy: 0.6076378143331514
Energy: 0.6105894243975076
Energy: 0.6198774309957237
Energy: 0.6096932676011552
Energy: 0.6150248058144361
Energy: 0.613414456920637
Energy: 0.6120384241889899
Energy: 0.6029702759755121
Energy: 0.6152001162595206
Energy: 0.6093675613473243
Energy: 0.6066559078663958
Energy: 0.6127082695937061
Energy: 0.6100921446815036
Energy: 0.608512110822719
Energy: 0.6070851173533688
Energy: 0.6108930602423266
Energy: 0.6012065229258835
Energy: 0.5952252773993093
Energy: 0.5940493450282238
Energy: 0.5985565254223425
Energy: 0.594306633924431
Energy: 0.5922188296658754
Energy: 0.6021280242059066
Energy: 0.6048014189682215
Energy: 0.6034676365980424
Energy: 0.603284685423989
Energy: 0.607433679982896
Energy: 0.6033818284573169
Energy: 0.6045219374246128
Energy: 0.6027357831090353
Energy: 0.6108741281248448
Energy: 0.5942457164177604
Energy: 0.6060627980967245
Energy: 0.6161727384767062
Energy: 0.6248294065324119
Energy: 0.6028420159268495
Energy: 0.6050251195324302
Energy: 0.6080506802950056
Energy: 0.6022921268817816
Energy: 0.6051250028078693
Energy: 0.6336673091921473
Energy: 0.596418111047144
Energy: 0.5924563596580902
Energy: 0.6097990741135155
Energy: 0.6042628526870567
Energy: 0.6093518413702256
Energy: 0.6215664816473765
Energy: 0.5937190157024653
Energy: 0.5926337006150768
Energy: 0.6109838918413651
Energy: 0.6028211518965777
Energy: 0.6018010296497294
Energy: 0.6249989868425864
Energy: 0.607417047152813
Energy: 0.6007830075802806
Energy: 0.6040592561675113
Energy: 0.6027119452886694
Energy: 0.6000929666307218
Energy: 0.6257419226646003
Energy: 0.605811257501637
Energy: 0.6111205452959368
Energy: 0.6187053719803446
Energy: 0.6064063733017306
Energy: 0.6095464807596037
Energy: 0.6159538101153924
Energy: 0.6070920836129283
Energy: 0.6079077682665489
Energy: 0.6104034009043479
Energy: 0.6033497554962286
Energy: 0.6021092338534291
Energy: 0.6288249745014194
Energy: 0.6105541971017913
Energy: 0.6110277647491835
Energy: 0.606558143093942
Energy: 0.6095696498821965
Energy: 0.6103447201866546
Energy: 0.627333682838941
Energy: 0.601384326812019
Energy: 0.6054542881319676
Energy: 0.6177801152576717
Energy: 0.6020637830857936
Energy: 0.5931078592089353
Energy: 0.615743022534413
Energy: 0.6105978428475898
Energy: 0.5941536051922953
Energy: 0.615974601095353
Energy: 0.6161397994801925
Energy: 0.5991530829673297
Energy: 0.609009142891548
Energy: 0.6109714559403041
Energy: 0.6110484973549752
Energy: 0.6121885047295985
Energy: 0.6145454607935035
Energy: 0.6111573792300952
Energy: 0.6831868646282883
Energy: 0.5950399197935394
Energy: 0.5939478131867366
Energy: 0.6117937066084539
Energy: 0.6178911106186077
Energy: 0.5934032263021936
Energy: 0.6168325656578493
Energy: 0.6137382981688702
Energy: 0.6113178549671848
Energy: 0.6172588740608849
Energy: 0.6207103486738728
Energy: 0.6089530376069223
Energy: 0.6168055604468566
Energy: 0.6130278760655482
Energy: 0.6113965302315395
Energy: 0.5934540988240206
Energy: 0.6156985933493956
Energy: 0.6089802149815398
Energy: 0.6195734459660397
Energy: 0.6203867628622498
Energy: 0.5933597914210024
Energy: 0.6017677717605031
Energy: 0.6181021340886566
Energy: 0.6114113267748652

minimum gb energy = 0.5922188296658754 eV
minimum distance =  2.64183704850918 Angstroms
sigma value = 27


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

Energy: 0.8077093664046147
Energy: 0.582153910119757
Energy: 0.6111034955842098
Energy: 0.5870030637294166
Energy: 0.6572804326775897
Energy: 0.5920992289658897
Energy: 0.6528574008498009
Energy: 0.5934709643544447
Energy: 0.6061690828537266
Energy: 0.6113357276153778
Energy: 0.5990951626717546
Energy: 0.5844055514613619
Energy: 0.6026946300807574
Energy: 0.565921478977492
Energy: 0.5660389976975602
Energy: 0.5948399670841312
Energy: 0.6037959914580774
Energy: 0.5886721398116574
Energy: 0.6255580308111568
Energy: 0.5658654663389098
Energy: 0.5650099449308414
Energy: 0.5873638066551952
Energy: 0.6053349577860476
Energy: 0.5834110902722577
Energy: 0.6055235273156114
Energy: 0.5846278582580611
Energy: 0.5845504122185721
Energy: 0.6061657300253184
Energy: 0.6372030473762486
Energy: 0.5848032752804685
Energy: 0.6290659285030367
Energy: 0.5840591699826583
Energy: 0.5844720582644728
Energy: 0.6103238430480542
Energy: 0.6071189496512064
Energy: 0.5846293679169255
Energy: 0.5983054881769693
Energy: 0.5826442589541933
Energy: 0.5825203531988106
Energy: 0.585094988142742
Energy: 0.5887584961662431
Energy: 0.5833175374131286
Energy: 0.6319661617433683
Energy: 0.5967093697408081
Energy: 0.6213692678127412
Energy: 0.5880042746579023
Energy: 0.6020521729308739
Energy: 0.6210242707736753
Energy: 0.6913299346907931
Energy: 0.5674633974745839
Energy: 0.5671530697411078
Energy: 0.5885312844378274
Energy: 0.6062953335076378
Energy: 0.5838092841540764
Energy: 0.6159974457246657
Energy: 0.5697111899375913
Energy: 0.5664941099145804
Energy: 0.5881312362091384
Energy: 0.5713070355011196
Energy: 0.5660293066206704
Energy: 0.6348393534151074
Energy: 0.5930895702815132
Energy: 0.587879949662193
Energy: 0.6165250583734561
Energy: 0.6021724578844387
Energy: 0.5867015746962913
Energy: 0.5709736483403468
Energy: 0.5651239616514254
Energy: 0.5684277080077694
Energy: 0.5713432967652728
Energy: 0.5648733783593626
Energy: 0.5672896524693372
Energy: 0.5791837474849257
Energy: 0.5601472081527467
Energy: 0.5681290280279047
Energy: 0.5804746443732416
Energy: 0.5682758915943954
Energy: 0.5692532595204899
Energy: 0.579595028027221
Energy: 0.5647928079664261
Energy: 0.564709154461598
Energy: 0.5799630853308955
Energy: 0.5646888135648012
Energy: 0.5649596971647551
Energy: 0.5707400978142108
Energy: 0.5681766760226511
Energy: 0.5658955951438668
Energy: 0.5712458419517665
Energy: 0.5658962977361804
Energy: 0.5654390323706693
Energy: 0.6107040196075454
Energy: 0.5656706181804096
Energy: 0.5645552903470241
Energy: 0.5923845735078069
Energy: 0.5666479468977529
Energy: 0.5648529508834388
Energy: 0.6051288387539672
Energy: 0.5807115446031751
Energy: 0.5810221341563063
Energy: 0.6111646511472624
Energy: 0.5832523222393464
Energy: 0.5813130009416311
Energy: 0.6328462161572546
Energy: 0.6036009596036799
Energy: 0.5842683655664496
Energy: 0.593970494444619
Energy: 0.6060434459356724
Energy: 0.584592967899713
Energy: 0.625457465982368
Energy: 0.5932039480569746
Energy: 0.5918699339053308
Energy: 0.6261503866296818
Energy: 0.5884823619699155
Energy: 0.5911237592075658
Energy: 0.6011626603265804
Energy: 0.5932805074311588
Energy: 0.5918856627445886
Energy: 0.5965814920713134
Energy: 0.6019693375529449
Energy: 0.5910100019413861
Energy: 0.6826929617832908
Energy: 0.5671562701039833
Energy: 0.5837135495220449
Energy: 0.5865211489444904
Energy: 0.6062195938350129
Energy: 0.5843030889079808
Energy: 0.6033887720569738
Energy: 0.6262145860628701
Energy: 0.6151494726333813
Energy: 0.6047940536712174
Energy: 0.6285959256076825
Energy: 0.6049987821212984
Energy: 0.6202340975744022
Energy: 0.5652513410892176
Energy: 0.5846788748198225
Energy: 0.6218376498423933
Energy: 0.5903002727409675
Energy: 0.5847605461290148
Energy: 0.5997407687431574
Energy: 0.6049121279054157
Energy: 0.5650999781702822
Energy: 0.5908657905408076
Energy: 0.6066455486833658
Energy: 0.5829091197604328
Energy: 0.6357415322980502
Energy: 0.632603076828614
Energy: 0.6277065976172741
Energy: 0.601813711335382
Energy: 0.6444882502036202
Energy: 0.596782321334946

minimum gb energy = 0.5601472081527467 eV
minimum distance =  2.64261104953758 Angstroms
sigma value = 19


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

Energy: 0.6111491629707471
Energy: 0.5851775334012927
Energy: 0.5942709308742928
Energy: 0.5859260786591416
Energy: 0.6014871433790091
Energy: 0.594214463069519
Energy: 0.5988822023152949
Energy: 0.5841333768695566
Energy: 0.5827308399854517
Energy: 0.5823993959914472
Energy: 0.5822062732062857
Energy: 0.5831559361788283
Energy: 0.5966820870910345
Energy: 0.5825194897340159
Energy: 0.5786371941528614
Energy: 0.5902817125545792
Energy: 0.5797409050528746
Energy: 0.5787888573460445
Energy: 0.5950541713090032
Energy: 0.5827798160236477
Energy: 0.5842139629217721
Energy: 0.5814182525524629
Energy: 0.5827670047104198
Energy: 0.5844179968605319
Energy: 0.5975448511039878
Energy: 0.5841722288304697
Energy: 0.5818642626816485
Energy: 0.5971667080580748
Energy: 0.5790453548626306
Energy: 0.580267970796457
Energy: 0.597783177493982
Energy: 0.584196903827319
Energy: 0.5839664020893159
Energy: 0.5934175701905591
Energy: 0.5930218920343721
Energy: 0.5843806644997658
Energy: 0.6031686668531058
Energy: 0.5793938953396593
Energy: 0.578220996518222
Energy: 0.5855735124286199
Energy: 0.5821475074379361
Energy: 0.5765334192165088
Energy: 0.5929680191317181
Energy: 0.5804084199412043
Energy: 0.5826638754957155
Energy: 0.5822894117291432
Energy: 0.5800327634731528
Energy: 0.5835312927920634
Energy: 0.5874891745777816
Energy: 0.5791600788061553
Energy: 0.5825309237254962
Energy: 0.5859366290229051
Energy: 0.5795660734907301
Energy: 0.5823773359249055
Energy: 0.5923593762201451
Energy: 0.5810551762920068
Energy: 0.5798949476089799
Energy: 0.5859780939601748
Energy: 0.5826884655077793
Energy: 0.5801222061441724
Energy: 0.5971854500284627
Energy: 0.5727168056932788
Energy: 0.5725743816991035
Energy: 0.5964065082062604
Energy: 0.5738239738361878
Energy: 0.5721991904627993
Energy: 0.5948584181400001
Energy: 0.5802265869536688
Energy: 0.58146527553091
Energy: 0.5746253950914179
Energy: 0.5776696951296759
Energy: 0.5730475177322909
Energy: 0.6035438141231269
Energy: 0.572376918490404
Energy: 0.5761322523237963
Energy: 0.5831646934162036
Energy: 0.5739983513900557
Energy: 0.5775172602539288
Energy: 0.6113212966190235
Energy: 0.5852930448616728
Energy: 0.5849789379927525
Energy: 0.5721789605292303
Energy: 0.5868045959595707
Energy: 0.5817486312019438
Energy: 0.5946941959957106
Energy: 0.57255540128694
Energy: 0.5751809660556555
Energy: 0.5696026927797113
Energy: 0.5750152111212886
Energy: 0.5743177870066287
Energy: 0.6073935384070444
Energy: 0.5750356393295135
Energy: 0.5748332456756398
Energy: 0.573248426589126
Energy: 0.5742851785311157
Energy: 0.574759563751966
Energy: 0.5914551193988425
Energy: 0.5794154078143177
Energy: 0.5834380828034172
Energy: 0.5744945440347236
Energy: 0.5833284600221343
Energy: 0.5830029292649512
Energy: 0.6048097276788421
Energy: 0.5720245207939837
Energy: 0.5722433545907847
Energy: 0.5708574669211472
Energy: 0.5715568710855992
Energy: 0.5735786394689923
Energy: 0.6005120413483704
Energy: 0.5731421373418518
Energy: 0.5737168400418798
Energy: 0.5890941326461747
Energy: 0.5860008194664316
Energy: 0.5826598572707175
Energy: 0.5849937173777744
Energy: 0.5709663127063856
Energy: 0.5723980765571366
Energy: 0.5717284367950725
Energy: 0.5739100568497
Energy: 0.5822923105390384
Energy: 0.5720714368647714
Energy: 0.5720527637316017
Energy: 0.572675196441878
Energy: 0.5751133066342471
Energy: 0.571777382375777
Energy: 0.5721749392074265
Energy: 0.57154731910597
Energy: 0.5733276964902483
Energy: 0.5731314581689491
Energy: 0.5740447044304364
Energy: 0.5734301327068081
Energy: 0.5731071537656142
Energy: 0.5867197589785136
Energy: 0.5879283809372075
Energy: 0.5876950921670624
Energy: 0.5854544059006315
Energy: 0.586560262189324
Energy: 0.5714518475556711
Energy: 0.602082292208376
Energy: 0.5712810835024078
Energy: 0.5726683580962784
Energy: 0.5919102330524871
Energy: 0.5688577759140196
Energy: 0.5734422616036279
Energy: 0.6030784728986975
Energy: 0.5740921068382142
Energy: 0.5742850538546022
Energy: 0.5770273002932694
Energy: 0.5689386525597059
Energy: 0.5739541724253181
Energy: 0.5951320561750576
Energy: 0.5779299940885779
Energy: 0.5784169503715334
Energy: 0.5851246633914764
Energy: 0.5815612912706668
Energy: 0.5830917194312263
Energy: 0.5969007193609438
Energy: 0.5826240609823499
Energy: 0.5809430674315024
Energy: 0.5864799392058367
Energy: 0.5854782617721055
Energy: 0.5805341566798878
Energy: 0.5969721280918866
Energy: 0.5803954712482032
Energy: 0.5830137682203567
Energy: 0.5778816476512549
Energy: 0.5848460502131005
Energy: 0.582887664953971
Energy: 0.6018340664778271
Energy: 0.6032636011422227
Energy: 0.604423714603965
Energy: 0.5682373606011516
Energy: 0.6015980326374064
Energy: 0.5775326394929717

minimum gb energy = 0.5682373606011516 eV
minimum distance =  2.64707709976484 Angstroms
sigma value = 101


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

Energy: 0.8759965459855571
Energy: 0.5596751007345167
Energy: 0.5581527338769406
Energy: 0.5497433821112496
Energy: 0.5543380386172786
Energy: 0.5474640505389459
Energy: 0.6281938514704072
Energy: 0.5545278652723342
Energy: 0.5567707042734428
Energy: 0.5534480761274365
Energy: 0.5545736885736631
Energy: 0.5567684089169158
Energy: 0.5815160063921267
Energy: 0.5535747413839096
Energy: 0.5536354055897516
Energy: 0.5747329919281609
Energy: 0.5535378590194613
Energy: 0.5589222178180419
Energy: 0.5746869880083427
Energy: 0.5564578758039844
Energy: 0.5579083175018604
Energy: 0.5570937763670619
Energy: 0.5562882960960868
Energy: 0.5575901264244857
Energy: 0.5656150150404806
Energy: 0.5573407120544045
Energy: 0.5583080209635412
Energy: 0.5648895833765086
Energy: 0.5770621590562248
Energy: 0.5636806442545426
Energy: 0.5678058143028255
Energy: 0.5561122072194917
Energy: 0.5564681405241402
Energy: 0.5678647663737283
Energy: 0.556410607004408
Energy: 0.5566965161293493
Energy: 0.5739505035276833
Energy: 0.5513063184919308
Energy: 0.5520530984047604
Energy: 0.5683713572246285
Energy: 0.5515408269010684
Energy: 0.5570751216044488
Energy: 0.5704172693661693
Energy: 0.554314245035786
Energy: 0.5566626532629735
Energy: 0.5662797024224513
Energy: 0.5597247505255661
Energy: 0.5560586845805281
Energy: 0.5531336707540823
Energy: 0.5593135760474385
Energy: 0.5549923787181394
Energy: 0.5511746374943695
Energy: 0.5553473656890232
Energy: 0.5532500794881857
Energy: 0.5594481206113479
Energy: 0.5612481221910809
Energy: 0.5597296519279589
Energy: 0.5550218041702152
Energy: 0.5631879303570099
Energy: 0.5594497253899007
Energy: 0.58111243711144
Energy: 0.545923081020123
Energy: 0.5564727591126092
Energy: 0.5730965177997019
Energy: 0.5452993810747879
Energy: 0.5544714816826467
Energy: 0.5817287362309796
Energy: 0.5600126819015694
Energy: 0.5587501481150381
Energy: 0.5586028278812044
Energy: 0.553961412349314
Energy: 0.558984151482354
Energy: 0.566233274926805
Energy: 0.5548186840898748
Energy: 0.555893959125236
Energy: 0.5488301656588251
Energy: 0.5555172058081655
Energy: 0.5540711436316508
Energy: 0.5683958419930659
Energy: 0.561194447915549
Energy: 0.5595649725125733
Energy: 0.5499053476513796
Energy: 0.5621175024116349
Energy: 0.5578883259819877
Energy: 0.5822839287867418
Energy: 0.5551233411560326
Energy: 0.5552366936434434
Energy: 0.5593830112432565
Energy: 0.5532254204975178
Energy: 0.5566716620481992
Energy: 0.581163586189939
Energy: 0.5539792196677668
Energy: 0.5573156667869754
Energy: 0.5584979132073884
Energy: 0.5517025099034933
Energy: 0.5572079063244261
Energy: 0.5642242728704678
Energy: 0.5742902560304223
Energy: 0.5594253344128289
Energy: 0.5367765802561308
Energy: 0.5538469530476177
Energy: 0.5455600546672119
Energy: 0.609504010440091
Energy: 0.5596969950003063
Energy: 0.5551432883661109
Energy: 0.5608963550902961
Energy: 0.5548671202306321
Energy: 0.5584285305753426
Energy: 0.581300137470963
Energy: 0.5544526065193699
Energy: 0.5541302859662766
Energy: 0.5556168302753015
Energy: 0.5530316931979604
Energy: 0.5545538537697718
Energy: 0.5732143661396991
Energy: 0.554977886356688
Energy: 0.5555213683275877
Energy: 0.5546242985744099
Energy: 0.5530013432776982
Energy: 0.5560200676144212
Energy: 0.5663794904125159
Energy: 0.5550083227136704
Energy: 0.5585585204224106
Energy: 0.5643968079898263
Energy: 0.5592939304929573
Energy: 0.5592774502866062
Energy: 0.5643061455893867
Energy: 0.5571582731226623
Energy: 0.5575640328243767
Energy: 0.5514552278642992
Energy: 0.55474354907757
Energy: 0.5572476691730323
Energy: 0.5678270265885937
Energy: 0.5522872869530495
Energy: 0.5523240081099167
Energy: 0.5648725824053574
Energy: 0.5490307382087835
Energy: 0.5528951972004504
Energy: 0.5526120061986398
Energy: 0.5548546150681226
Energy: 0.5554379085889621
Energy: 0.5675479152225471
Energy: 0.553139926656144
Energy: 0.5604873588803232
Energy: 0.558186837781228
Energy: 0.5579028948752381
Energy: 0.5566643939554196
Energy: 0.5520123386105577
Energy: 0.5555084070214692
Energy: 0.5553621990511303
Energy: 0.5537754700757993
Energy: 0.5603913405909678
Energy: 0.5582883648858786
Energy: 0.5512831574083764
Energy: 0.5626193628343646
Energy: 0.5576072122728484
Energy: 0.5760658049543913
Energy: 0.5461409387637397
Energy: 0.5467182419209876
Energy: 0.5544861623935124
Energy: 0.5431871967226458
Energy: 0.5479866492141784
Energy: 0.5815599551403117
Energy: 0.5448877852787365
Energy: 0.5522980428309046
Energy: 0.5596570176098532
Energy: 0.5390621785548834
Energy: 0.5581312413592981
Energy: 0.5683392246562047
Energy: 0.5597881511010807
Energy: 0.5590266416176762
Energy: 0.5497301472760295
Energy: 0.5594201271619046
Energy: 0.5567214660310597
Energy: 0.5669990100333252
Energy: 0.5584266945810098
Energy: 0.5569412146925098
Energy: 0.5491630925526204
Energy: 0.5536740492286122
Energy: 0.5562896553752148
Energy: 0.5808351405679181
Energy: 0.5559187698508643
Energy: 0.5566571866675931
Energy: 0.5592514306757365
Energy: 0.5508959328991038
Energy: 0.557169506406516
Energy: 0.5816650476861251
Energy: 0.5540255334117729
Energy: 0.555396825859748
Energy: 0.5552598395163799
Energy: 0.5515155315189325
Energy: 0.5564768115425757
Energy: 0.5631626707851837
Energy: 0.5568481709248106
Energy: 0.5547705819100399
Energy: 0.5373974656663216
Energy: 0.5512713838319762
Energy: 0.5587419866045256

minimum gb energy = 0.5367765802561308 eV
minimum distance =  2.66028023503937 Angstroms
sigma value = 33


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

Energy: 0.009716971054334009
Energy: 0.5895403089389615
Energy: 0.010222025989220482
Energy: 0.011001217712545213
Energy: 0.5936261734197382
Energy: 0.010168796190475175
Energy: 0.2762097945458408
Energy: 0.07097162682548884
Energy: 0.07036098236905712
Energy: 0.07174787231243235
Energy: 0.07180107820106268
Energy: 0.07016811885755556
Energy: 0.8043470415679053
Energy: 0.5904868232367473
Energy: 0.5901726359215517
Energy: 0.5918828361504432
Energy: 0.5934912968056281
Energy: 0.5925423264603624
Energy: 0.010285359395567708
Energy: 0.07097162682548884
Energy: 0.07036098236940365
Energy: 0.07174787231173928
Energy: 0.07180107820071614
Energy: 0.07016811885755556

minimum gb energy = 0.009716971054334009 eV
minimum distance =  2.85684083000588 Angstroms
sigma value = 1