Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.956557989120483
cohesive_energy=1.9185415322216013
mass=207.2
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.76195444026432e-20, 1.003255771208022e-19, 1.267326524023902e-19, 1.501946065953594e-19, 1.7052767003978997e-19, 1.8838072427245199e-19, 2.0417017500052198e-19, 2.1819242490129e-19, 2.3084962030989e-19, 2.42309989772892e-19, 2.5253187669781196e-19, 2.61624229095762e-19, 2.69673564504978e-19, 2.7675198087398996e-19, 2.82926769621426e-19, 2.8824759822293995e-19, 2.9276733850745398e-19, 2.9652284053754995e-19, 2.99930670238068e-19, 3.02668790105574e-19, 3.04754824083042e-19, 3.0621600917324996e-19, 3.07077980202342e-19, 3.07359963289926e-19, 3.07053947552832e-19, 3.06054189333216e-19, 3.04226105793822e-19, 3.01406274917982e-19, 2.9739602680308e-19, 2.91990282839964e-19, 2.84966340476508e-19, 2.75875590255192e-19, 2.64274229248398e-19, 2.4961271087066397e-19, 2.31198894816102e-19, 2.08159594819182e-19, 1.79378093766006e-19, 1.4461005971988898e-19, 1.010683462083246e-19, 4.6329500854724396e-20, -2.2800575678453996e-20, -1.105506683989902e-19, -2.22825919726818e-19, -3.6805201636247997e-19, -5.57418079264842e-19, -8.080017091757099e-19, -1.1463189293877839e-18, -1.6127509997844e-18, -2.27321627361822e-18, -3.24065859052644e-18, -4.71637542280482e-18, -7.1026893450171e-18, -1.1271953490843599e-17, -1.94198227630506e-17]
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: 0.003935758915687062
Energy: 0.05925326829772306
Energy: 0.42693232159116434
Energy: 0.004268580807889336
Energy: 0.05925326829772306
Energy: 0.49864674570802564
Energy: 0.004268580807889336
Energy: 0.49864674570802564
Energy: 0.42693232158823574
Energy: 0.004268580808213705
Energy: 0.003935758915687062
Energy: 0.05925326829772306
Energy: 0.004268580808213705
Energy: 0.49864674570835005
Energy: 0.05925326829772306
Energy: 0.4986467457077013

minimum gb energy = 0.003935758915687062 eV
minimum distance =  3.44281122035672 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.7932653353178191
Energy: 0.5009485324000703
Energy: 0.5015581000074606
Energy: 0.468542268410252
Energy: 0.490980133292415
Energy: 0.5179187851957131
Energy: 0.49098510521093286
Energy: 0.5179187851944992
Energy: 0.5012520632806425
Energy: 0.5009548374895371
Energy: 0.4908614471583618
Energy: 0.5009548374899417
Energy: 0.49071553890274494
Energy: 0.4906238514444131
Energy: 0.49095762606961196
Energy: 0.49062385144805476
Energy: 0.5216314357575241
Energy: 0.4909313243012578
Energy: 0.49093868708710503
Energy: 0.4909313243012578
Energy: 0.4907385220266555
Energy: 0.5589835908454179
Energy: 0.49101792563950336
Energy: 0.5589835908454179
Energy: 0.5226303062121289
Energy: 0.5485496106562725
Energy: 0.5214874682203893
Energy: 0.5485496106562725
Energy: 0.5220083417340606
Energy: 0.5555663610352999
Energy: 0.4991217091127378
Energy: 0.5555663610352999
Energy: 0.5274229868852504
Energy: 0.577832590104287
Energy: 0.5218221317941909
Energy: 0.577832590104287
Energy: 0.5288503982771605
Energy: 0.5318310063265491
Energy: 0.5280420378974011
Energy: 0.531831006327763
Energy: 0.5275488802429846
Energy: 0.5774946774427121
Energy: 0.5280598685703134
Energy: 0.5774946774427121
Energy: 0.5280695907164845
Energy: 0.5772821413494237
Energy: 0.49969420796060127
Energy: 0.5772821413494237
Energy: 0.5219375089961311
Energy: 0.5487180049218373
Energy: 0.5276716096265287
Energy: 0.548718004922242
Energy: 0.4908686488820391
Energy: 0.5487533145224126
Energy: 0.5209967642012802
Energy: 0.5487533145220079
Energy: 0.5132998322761618
Energy: 0.4908173526416286
Energy: 0.49069094438751304
Energy: 0.4908173526416286
Energy: 0.4666021135421657
Energy: 0.4909510210173686
Energy: 0.4909936323610503
Energy: 0.4909510210177732
Energy: 0.5005827328166718
Energy: 0.50044095732653
Energy: 0.4663744188959757
Energy: 0.50044095732653
Energy: 0.4909503261554197
Energy: 0.4909689446744147
Energy: 0.513865494117859
Energy: 0.490968944675224
Energy: 0.49096376374358836
Energy: 0.5017590915506548
Energy: 0.5014831316978705
Energy: 0.5017590915502501
Energy: 0.4905540834897863
Energy: 0.4908701811780191
Energy: 0.4906001635479181
Energy: 0.49087018117842374
Energy: 0.49082169605663356
Energy: 0.4906779653704913
Energy: 0.52139059718881
Energy: 0.49067796537089586
Energy: 0.4910026092302437
Energy: 0.4908069567538601
Energy: 0.49074094352780073
Energy: 0.4908069567538601
Energy: 0.5223746919435736
Energy: 0.5487561073898513
Energy: 0.5233222501740634
Energy: 0.5487561073902559
Energy: 0.4990868014054868
Energy: 0.5486434718597271
Energy: 0.5221623238471172
Energy: 0.5486434718601317
Energy: 0.5284115297556389
Energy: 0.578129370897455
Energy: 0.5274378690051827
Energy: 0.578129370897455
Energy: 0.5287429465958545
Energy: 0.5772344046407166
Energy: 0.529656846089477
Energy: 0.577234404640312
Energy: 0.5280655349499765
Energy: 0.5772238010976735
Energy: 0.5277118690554021
Energy: 0.5772238010976735
Energy: 0.49981380245685547
Energy: 0.5777065678397327
Energy: 0.5280995938881009
Energy: 0.5777065678397327
Energy: 0.5276205994366245
Energy: 0.5486577506446189
Energy: 0.5217705007707483
Energy: 0.5486577506442142
Energy: 0.5210045978180666
Energy: 0.5490040802761947
Energy: 0.4908167272001924
Energy: 0.5490040802761947
Energy: 0.4906393437887758
Energy: 0.49083704454035415
Energy: 0.5132394927264328
Energy: 0.4908370445407587
Energy: 0.49101078412309035
Energy: 0.49088230729487176
Energy: 0.46645326930415343
Energy: 0.49088230729487176
Energy: 0.4663400049903658
Energy: 0.5002170178198361
Energy: 0.5002643443670558
Energy: 0.5002170178198361

minimum gb energy = 0.4663400049903658 eV
minimum distance =  3.16219708457101 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.5943670981031677
Energy: 0.5344401347954425
Energy: 0.5353503241187259
Energy: 0.4974208202371679
Energy: 0.5237321321485783
Energy: 0.5505577073519726
Energy: 0.5238301198855875
Energy: 0.5505577073524339
Energy: 0.5341988246749834
Energy: 0.5344452689613783
Energy: 0.5232108189262538
Energy: 0.5344452689618399
Energy: 0.5234006142617937
Energy: 0.5238349270663244
Energy: 0.5238806224619486
Energy: 0.5238349270672472
Energy: 0.5230746837569329
Energy: 0.5241568105890785
Energy: 0.5233184816818061
Energy: 0.524156810588617
Energy: 0.5232152546446426
Energy: 0.5916431167342265
Energy: 0.5240886678132411
Energy: 0.5916431167342265
Energy: 0.5232125937817218
Energy: 0.589875243906116
Energy: 0.558351414367314
Energy: 0.5898752439065773
Energy: 0.5590512131380443
Energy: 0.5899249854184524
Energy: 0.5323895203253783
Energy: 0.5899249854184524
Energy: 0.528147702812535
Energy: 0.6167919062632466
Energy: 0.5631867836274524
Energy: 0.6167919062641694
Energy: 0.5326687397836872
Energy: 0.6168271449116698
Energy: 0.5646702014721545
Energy: 0.6168271449116698
Energy: 0.5498137691598877
Energy: 0.590016798431145
Energy: 0.5593134815054688
Energy: 0.5900167984306836
Energy: 0.5575761422849349
Energy: 0.5903465544294794
Energy: 0.5230599332542817
Energy: 0.5903465544294794
Energy: 0.5239866350819378
Energy: 0.5240734693708841
Energy: 0.5497206529009837
Energy: 0.5240734693713454
Energy: 0.5239361826816652
Energy: 0.523544739020332
Energy: 0.4946994020969824
Energy: 0.5235447390207933
Energy: 0.49465221268153187
Energy: 0.5332031810258464
Energy: 0.5340431240970835
Energy: 0.5332031810263078
Energy: 0.5501724695203171
Energy: 0.5233531466384255
Energy: 0.5238094620209243
Energy: 0.5233531466393481
Energy: 0.5351958835254882
Energy: 0.5354307138614782
Energy: 0.5236668676770663
Energy: 0.5354307138637849
Energy: 0.5233064106609024
Energy: 0.5234757098892064
Energy: 0.5229653938909484
Energy: 0.5234757098910519
Energy: 0.5231197903251051
Energy: 0.523526201920145
Energy: 0.5238156752239624
Energy: 0.5235262019210676
Energy: 0.5231060084572241
Energy: 0.5237071366881858
Energy: 0.5241249316570571
Energy: 0.5237071366877244
Energy: 0.5236123998165402
Energy: 0.5901152936858989
Energy: 0.5583414333189589
Energy: 0.5901152936863603
Energy: 0.5236566113470301
Energy: 0.5895373728205643
Energy: 0.5322984637892533
Energy: 0.5895373728219483
Energy: 0.5608341918916203
Energy: 0.6169010968653639
Energy: 0.5631927000372672
Energy: 0.6169010968662866
Energy: 0.5326583528452873
Energy: 0.6167399989110528
Energy: 0.5647437481800134
Energy: 0.6167399989110528
Energy: 0.5499770568943135
Energy: 0.5900419903155347
Energy: 0.5591383373754641
Energy: 0.5900419903159961
Energy: 0.5576234385142361
Energy: 0.5901423675363068
Energy: 0.5232942841612269
Energy: 0.5901423675367681
Energy: 0.5238869237387497
Energy: 0.5241347915745863
Energy: 0.549641188882706
Energy: 0.5241347915755089
Energy: 0.5234706630670445
Energy: 0.52405865640054
Energy: 0.49474531984392955
Energy: 0.5240586564010014
Energy: 0.49466605561845545
Energy: 0.533168980291608
Energy: 0.5333856387404734
Energy: 0.533168980291608

minimum gb energy = 0.49465221268153187 eV
minimum distance =  3.16254495095311 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.8551158147176641
Energy: 0.5730404299360758
Energy: 0.5730202922282008
Energy: 0.5305113762705503
Energy: 0.5622298157751915
Energy: 0.5872081707694646
Energy: 0.5623307716052058
Energy: 0.5872081707694646
Energy: 0.5727522535967807
Energy: 0.5724860378685694
Energy: 0.5614527976658431
Energy: 0.5724860378680332
Energy: 0.5608216498796439
Energy: 0.5870493378216232
Energy: 0.5621981420431471
Energy: 0.5870493378210869
Energy: 0.5612706139225948
Energy: 0.5632555121818935
Energy: 0.5618072069145086
Energy: 0.5632555121818935
Energy: 0.5608214443553688
Energy: 0.5624937601882302
Energy: 0.5622624576732531
Energy: 0.5624937601887665
Energy: 0.5609953831080715
Energy: 0.6396866570606454
Energy: 0.5972103230212878
Energy: 0.6396866570606454
Energy: 0.5992982258154006
Energy: 0.6383847550499226
Energy: 0.5362423970568422
Energy: 0.6383847550499226
Energy: 0.5987514425828762
Energy: 0.6402031175822397
Energy: 0.5932272819752913
Energy: 0.6402031175822397
Energy: 0.5607220820728578
Energy: 0.6397137397269718
Energy: 0.5622791781520529
Energy: 0.6397137397269718
Energy: 0.5264181034359932
Energy: 0.5630394973538294
Energy: 0.5619084910402018
Energy: 0.5630394973538294
Energy: 0.5264900544986454
Energy: 0.5622150447427978
Energy: 0.5620790821342058
Energy: 0.5622150447427978
Energy: 0.5712361265858015
Energy: 0.5712242194592982
Energy: 0.5262954118655192
Energy: 0.5712242194592982
Energy: 0.5624291316631396
Energy: 0.5611523091325655
Energy: 0.5933664503265416
Energy: 0.5611523091331018
Energy: 0.5613774690828338
Energy: 0.5745456848407122
Energy: 0.5741937296267745
Energy: 0.5745456848407122
Energy: 0.5601020248295707
Energy: 0.5608094553053188
Energy: 0.5722329581094585
Energy: 0.560809455305855
Energy: 0.5626094583918906
Energy: 0.5617885333574362
Energy: 0.5612990416687971
Energy: 0.5617885333574362
Energy: 0.5622647020434939
Energy: 0.563279269263219
Energy: 0.5610495436782994
Energy: 0.563279269263219
Energy: 0.5971058223120279
Energy: 0.6394760664147889
Energy: 0.560965772262509
Energy: 0.6394760664147889
Energy: 0.5367732484644823
Energy: 0.6392422236327917
Energy: 0.5612335366832321
Energy: 0.6392422236322554
Energy: 0.5935481336611719
Energy: 0.6402463300906192
Energy: 0.5988397523683388
Energy: 0.6402463300906192
Energy: 0.5937118267927609
Energy: 0.6399441322698857
Energy: 0.5608486648003517
Energy: 0.6399441322698857
Energy: 0.5623596325336622
Energy: 0.5630939734152155
Energy: 0.5264897699177098
Energy: 0.5630939734152155
Energy: 0.5621199847074452
Energy: 0.5627352467086107
Energy: 0.5264641776019939
Energy: 0.5627352467091469
Energy: 0.5262684039013751
Energy: 0.5714087564073083
Energy: 0.5710603894544717
Energy: 0.5714087564073083

minimum gb energy = 0.5262684039013751 eV
minimum distance =  3.16418556341808 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.8018303827209294
Energy: 0.6135747460540119
Energy: 0.6171058753725008
Energy: 0.5666215671920516
Energy: 0.6188139697381261
Energy: 0.6267141679428194
Energy: 0.6065336062272384
Energy: 0.626714167942754
Energy: 0.6139790943387965
Energy: 0.6141938559988751
Energy: 0.618016367813557
Energy: 0.614193855998497
Energy: 0.6135986141353894
Energy: 0.6270708907620394
Energy: 0.6062566174642794
Energy: 0.6270708907621703
Energy: 0.604311937897984
Energy: 0.6090176844974133
Energy: 0.605755328947408
Energy: 0.6090176844962574
Energy: 0.6012656473253686
Energy: 0.6063458306053653
Energy: 0.6065126017749278
Energy: 0.6063458306055545
Energy: 0.6408239293705256
Energy: 0.6980744874363424
Energy: 0.606625810038617
Energy: 0.6980744874363424
Energy: 0.6066404520471825
Energy: 0.6917703458205308
Energy: 0.6063459606108856
Energy: 0.6917703458214832
Energy: 0.6069391814605539
Energy: 0.6089993549153039
Energy: 0.5601821223193613
Energy: 0.6089993549156238
Energy: 0.6063827993623261
Energy: 0.6091793490507804
Energy: 0.560250704742124
Energy: 0.6091793490504605
Energy: 0.5599855195248367
Energy: 0.6137415805549009
Energy: 0.6138035227295568
Energy: 0.6137415805555407
Energy: 0.6540325084507291
Energy: 0.6012001605573215
Energy: 0.6186868126301482
Energy: 0.6012001605575104
Energy: 0.6188073012274669
Energy: 0.6137751844839203
Energy: 0.6180433622476358
Energy: 0.6137751844839203
Energy: 0.6135586446199784
Energy: 0.6014542761463726
Energy: 0.613458642628393
Energy: 0.6014542761462416
Energy: 0.6042995876627905
Energy: 0.600915090663896
Energy: 0.6066905466840389
Energy: 0.6009150906637724
Energy: 0.6010241742462695
Energy: 0.6092839370807199
Energy: 0.6063812124828326
Energy: 0.6092839370805962
Energy: 0.6405004135893411
Energy: 0.6928529603708822
Energy: 0.6066228120244808
Energy: 0.692852960371013
Energy: 0.6405040407043432
Energy: 0.694540897096616
Energy: 0.6062470685479647
Energy: 0.6945408970973794
Energy: 0.6082006957420338
Energy: 0.6090602481313948
Energy: 0.5602351367666557
Energy: 0.6090602481303697
Energy: 0.6063082377181817
Energy: 0.6091254901569975
Energy: 0.5602966541402766
Energy: 0.6091254901564885
Energy: 0.5596242689476547
Energy: 0.6134009107002176
Energy: 0.6131389726521466
Energy: 0.6134009107002176

minimum gb energy = 0.5596242689476547 eV
minimum distance =  3.17108973211291 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.7184796568601275
Energy: 0.6672589470921318
Energy: 0.667264424046177
Energy: 0.601729531944361
Energy: 0.6678729877937328
Energy: 0.6446740952244937
Energy: 0.6679676228967063
Energy: 0.64467409522426
Energy: 0.6611197048770295
Energy: 0.661099174362682
Energy: 0.667322300082569
Energy: 0.6610991743629967
Energy: 0.6612114865353068
Energy: 0.644764472882336
Energy: 0.6126893299707573
Energy: 0.644764472882336
Energy: 0.6102269209376949
Energy: 0.6127547135190402
Energy: 0.6126408346425878
Energy: 0.6127547135190402
Energy: 0.5970981146350637
Energy: 0.6930220490822199
Energy: 0.6117999865538625
Energy: 0.6930220490834875
Energy: 0.5943394870326714
Energy: 0.6126957384869989
Energy: 0.6127094322135513
Energy: 0.6126957384867561
Energy: 0.5945971069221495
Energy: 0.6450554085104104
Energy: 0.6126733122146799
Energy: 0.6450554085102576
Energy: 0.6610564886666295
Energy: 0.6609941634316221
Energy: 0.7229401898513632
Energy: 0.6609941634312264
Energy: 0.6679187946947222
Energy: 0.5976699863981578
Energy: 0.7218652599848037
Energy: 0.597669986398005
Energy: 0.6672886218503087
Energy: 0.6612400565021997
Energy: 0.6676461548998229
Energy: 0.6612400565021997
Energy: 0.6601046016944037
Energy: 0.612461905936998
Energy: 0.6614371306524975
Energy: 0.6124619059369171
Energy: 0.6120795398328132
Energy: 0.6936292521949752
Energy: 0.6103310375311163
Energy: 0.693629252195218
Energy: 0.6126923063284355
Energy: 0.6125847010187492
Energy: 0.5978620718882557
Energy: 0.6125847010182727
Energy: 0.6126026514690872
Energy: 0.6612361827972001
Energy: 0.5944563899799132
Energy: 0.6612361827963368
Energy: 0.6123332441121506
Energy: 0.6124263345477287
Energy: 0.5945557378866371
Energy: 0.612426334547414
Energy: 0.7218042746808333
Energy: 0.6607940445908999
Energy: 0.6603320051677067
Energy: 0.6607940445908999

minimum gb energy = 0.5943394870326714 eV
minimum distance =  3.17878690309796 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.043374986169764
Energy: 0.7314975043105155
Energy: 0.7314824045087192
Energy: 0.7045359547591763
Energy: 0.6256176430000863
Energy: 0.6257466312320485
Energy: 0.6927015790127985
Energy: 0.6257466312320485
Energy: 0.6465115039780545
Energy: 0.646777243113789
Energy: 0.7489374785224634
Energy: 0.6467772431133408
Energy: 0.6464953623678771
Energy: 0.6523346531525313
Energy: 0.6538764876641496
Energy: 0.6523346531525313
Energy: 0.6469343306562918
Energy: 0.6811464712118495
Energy: 0.6272356602331559
Energy: 0.6811464712118495
Energy: 0.6474980641936646
Energy: 0.652043885993494
Energy: 0.648032682494589
Energy: 0.6520438859917117
Energy: 0.69715269709664
Energy: 0.6474789019938293
Energy: 0.6484549978523844
Energy: 0.6474789019933812
Energy: 0.7044324083667208
Energy: 0.6476609305837727
Energy: 0.6603026199580019
Energy: 0.6476609305833246
Energy: 0.7299868048847781
Energy: 0.7218813378095166
Energy: 0.7498615514728856
Energy: 0.7218813378099646
Energy: 0.7225718798382876
Energy: 0.677312967151431
Energy: 0.6268354024770113
Energy: 0.677312967151431
Energy: 0.6586138067362783
Energy: 0.6113912733267098
Energy: 0.6458443900326343
Energy: 0.6113912732384746
Energy: 0.721410639173487
Energy: 0.6113903032802883
Energy: 0.6436664926498429
Energy: 0.6113903033179084
Energy: 0.6972370045715488
Energy: 0.6449865779488869
Energy: 0.6451873205083812
Energy: 0.644986577949335
Energy: 0.6972210500410781
Energy: 0.6450564664421401
Energy: 0.6444061001375557
Energy: 0.6450564664416919
Energy: 0.6870175500589795
Energy: 0.6744264419586918
Energy: 0.7632089282882063
Energy: 0.6744264419586918
Energy: 0.6888061817945365
Energy: 0.6743817903100512
Energy: 0.7634858978721072
Energy: 0.6743817903109475
Energy: 0.74158117703844
Energy: 0.6750482362186114
Energy: 0.6549772819276722
Energy: 0.6750482362172673
Energy: 0.7416830166860345
Energy: 0.6750104911156531
Energy: 0.6748819420892124
Energy: 0.6750104911161013
Energy: 0.6455054711221809
Energy: 0.698572598342714
Energy: 0.6745243872848081
Energy: 0.6985725983422658
Energy: 0.6267987150911578
Energy: 0.726490509645469
Energy: 0.6746318273049492
Energy: 0.7264905096450208
Energy: 0.6455147638451066
Energy: 0.645302239440985
Energy: 0.7044222633736369
Energy: 0.645302239440985
Energy: 0.6459497175002008
Energy: 0.6457698400509216
Energy: 0.6970827664495439
Energy: 0.6457698400500357
Energy: 0.6520073420098288
Energy: 0.6904331443080977
Energy: 0.7347522886622492
Energy: 0.6904331443080977
Energy: 0.7511395074107945
Energy: 0.7241972975840292
Energy: 0.7238446910991331
Energy: 0.7241972975840292
Energy: 0.6255695467647713
Energy: 0.6257419459694006
Energy: 0.7239952910057004
Energy: 0.6257419459689525
Energy: 0.6258440362647385
Energy: 0.6256881125404665
Energy: 0.6587422518257171
Energy: 0.6256881125404665
Energy: 0.6248277962971575
Energy: 0.6260760562806821
Energy: 0.679603201435479
Energy: 0.6260760562815783
Energy: 0.6258445927171226
Energy: 0.6258569352109762
Energy: 0.6970779054192426
Energy: 0.6258569352109762
Energy: 0.6255593575588512
Energy: 0.6258993355196725
Energy: 0.6970503324356473
Energy: 0.625899335507584
Energy: 0.7085314532924878
Energy: 0.7229312500794964
Energy: 0.7223770914930219
Energy: 0.7229312500790483

minimum gb energy = 0.6113903032802883 eV
minimum distance =  3.1607250696363 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.8824810070610322
Energy: 0.6849906295824186
Energy: 0.6873339266712218
Energy: 0.6022695807118207
Energy: 0.6843949070682679
Energy: 0.6384772004222311
Energy: 0.685036230548599
Energy: 0.6384772004220202
Energy: 0.6848120734911833
Energy: 0.684662130994426
Energy: 0.6913758043854143
Energy: 0.6846621309949418
Energy: 0.684754452806302
Energy: 0.6390163528691533
Energy: 0.6837212338212245
Energy: 0.639016352868954
Energy: 0.6946229562172432
Energy: 0.6384357335851436
Energy: 0.5949917855400418
Energy: 0.6384357335853429
Energy: 0.683898121003837
Energy: 0.6394179716827013
Energy: 0.5960583307794384
Energy: 0.6394179716832171
Energy: 0.766654277952156
Energy: 0.6846899394212606
Energy: 0.6849211423457493
Energy: 0.68468993942085
Energy: 0.7665780845975816
Energy: 0.6839768205864787
Energy: 0.683247067724063
Energy: 0.6839768205865843
Energy: 0.6846347103925919
Energy: 0.6845261269000327
Energy: 0.6912488401826742
Energy: 0.6845261269001381
Energy: 0.6838027421394633
Energy: 0.6853544595879687
Energy: 0.6847889867984761
Energy: 0.6853544595881798
Energy: 0.6944594065522044
Energy: 0.6408842811405884
Energy: 0.5966030383572627
Energy: 0.6408842811404947
Energy: 0.6846068622541968
Energy: 0.6382085592016441
Energy: 0.5944088835529507
Energy: 0.6382085592015384
Energy: 0.7665640240731922
Energy: 0.6840902936541438
Energy: 0.683383505317535
Energy: 0.6840902936542492

minimum gb energy = 0.5944088835529507 eV
minimum distance =  3.1858309075676 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.8505751685147654
Energy: 0.7405991663771567
Energy: 0.741047024843094
Energy: 0.6995040982997685
Energy: 0.6361415515652015
Energy: 0.6350441564897094
Energy: 0.7485819885081059
Energy: 0.6350441564904729
Energy: 0.6373129556708623
Energy: 0.6378058984454774
Energy: 0.7397315191670291
Energy: 0.6378058984454774
Energy: 0.6373501151068979
Energy: 0.6363556691123253
Energy: 0.7881899625391724
Energy: 0.6363556691127071
Energy: 0.6347483537577656
Energy: 0.6350059898755344
Energy: 0.7873508446444326
Energy: 0.6350059898755344
Energy: 0.6344425523377701
Energy: 0.6349439274040692
Energy: 0.7872793503291586
Energy: 0.6349439274040692
Energy: 0.7486634538874516
Energy: 0.7401418353512387
Energy: 0.7491438377858353
Energy: 0.7401418353516033
Energy: 0.7487554877061926
Energy: 0.7396929738079187
Energy: 0.7397690339643643
Energy: 0.7396929738079187
Energy: 0.6623632885702091
Energy: 0.6955867810581272
Energy: 0.6717185959918638
Energy: 0.695586781058509
Energy: 0.6373428515297951
Energy: 0.6715269287480602
Energy: 0.7402015403031248
Energy: 0.6715269287480602
Energy: 0.6614590571509903
Energy: 0.6613989190332532
Energy: 0.70821089317655
Energy: 0.6613989190332532
Energy: 0.6709147999280901
Energy: 0.6626867660289238
Energy: 0.787652831314733
Energy: 0.6626867660396147
Energy: 0.7489528645739079
Energy: 0.6613381558143201
Energy: 0.6714134948699616
Energy: 0.661338155814702
Energy: 0.7489369489727816
Energy: 0.6620856806240445
Energy: 0.6623941014670689
Energy: 0.6620856806244264
Energy: 0.7397218702114123
Energy: 0.6725942259212752
Energy: 0.6640013364265879
Energy: 0.6725942259212752
Energy: 0.6912726696804147
Energy: 0.6987600170700892
Energy: 0.6705442477438718
Energy: 0.698760017070471
Energy: 0.7399509831664033
Energy: 0.6972809548002373
Energy: 0.6624163885684727
Energy: 0.6972809548010009
Energy: 0.7402250995900438
Energy: 0.7412053782210705
Energy: 0.7891331539434322
Energy: 0.7412053782210705
Energy: 0.7486127465438875
Energy: 0.6351956579562021
Energy: 0.6664665374604286
Energy: 0.6351956579565841
Energy: 0.7397219465019823
Energy: 0.6384303161737874
Energy: 0.6367028305463218
Energy: 0.6384303161741691
Energy: 0.7887964427455001
Energy: 0.6356559031846448
Energy: 0.6354261209843386
Energy: 0.6356559031846448
Energy: 0.7872935302663923
Energy: 0.6347362170215559
Energy: 0.6348923344720264
Energy: 0.6347362170211742
Energy: 0.787328109440371
Energy: 0.6352409411827783
Energy: 0.6343707605466959
Energy: 0.6352409411823964
Energy: 0.7495157370797114
Energy: 0.7399562944120468
Energy: 0.7485372674783619
Energy: 0.7399562944124285
Energy: 0.7394735161410413
Energy: 0.739638833598995
Energy: 0.7488125646129334
Energy: 0.739638833598613
Energy: 0.6709501776751221
Energy: 0.6981375260250615
Energy: 0.6616855307019429
Energy: 0.6981375260250615
Energy: 0.7403660148474797
Energy: 0.6894327223436946
Energy: 0.6371104416873485
Energy: 0.6894327223436946
Energy: 0.7149395531489877
Energy: 0.6617630659446647
Energy: 0.6618336885459027
Energy: 0.6617630659446647
Energy: 0.7877638706113399
Energy: 0.6685209549978138
Energy: 0.6703965497656307
Energy: 0.6685209549978138
Energy: 0.6710803349881533
Energy: 0.6615089221043364
Energy: 0.7485639743133919
Energy: 0.6615089221043364
Energy: 0.6627539308232941
Energy: 0.6625568233452471
Energy: 0.7395621533163605
Energy: 0.6625568233456289
Energy: 0.6637214878002995
Energy: 0.6620241544778209
Energy: 0.7399971020438598
Energy: 0.662024154477439
Energy: 0.6706066960293587
Energy: 0.6986320475727678
Energy: 0.6916594606171229
Energy: 0.6986320475731496
Energy: 0.6619127086976846
Energy: 0.6984217493448943
Energy: 0.6912070185150311
Energy: 0.6984217493448943
Energy: 0.7883886985821424
Energy: 0.7407639821395539
Energy: 0.7400991557246934
Energy: 0.7407639821399357

minimum gb energy = 0.6343707605466959 eV
minimum distance =  3.12697781826994 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.9216059763791783
Energy: 0.7103035721215795
Energy: 0.7113454995316095
Energy: 0.6763728140174353
Energy: 0.6498626502763839
Energy: 0.6464606692836554
Energy: 0.7164550032570496
Energy: 0.6464606692831666
Energy: 0.6503218922797201
Energy: 0.6504239881543326
Energy: 0.7355464416544654
Energy: 0.6504239881539678
Energy: 0.6496166960120346
Energy: 0.6484226384941235
Energy: 0.7795913416743825
Energy: 0.6484226384952113
Energy: 0.65013065630377
Energy: 0.6493184463946158
Energy: 0.7835404598971609
Energy: 0.6493184463947328
Energy: 0.689250852553986
Energy: 0.6494439437468928
Energy: 0.7517953322201354
Energy: 0.6494439437470719
Energy: 0.7213454057052728
Energy: 0.7354884329957736
Energy: 0.7452474162358034
Energy: 0.7354884329956497
Energy: 0.6872325024677879
Energy: 0.7339919499830828
Energy: 0.7339276773961775
Energy: 0.7339919499831448
Energy: 0.6740632618084135
Energy: 0.7343983963707605
Energy: 0.7344439180209977
Energy: 0.7343983963881354
Energy: 0.6654276174695484
Energy: 0.6799708383646982
Energy: 0.7343469165160542
Energy: 0.6799708383642162
Energy: 0.6748477731330422
Energy: 0.6334730013396167
Energy: 0.7339462895566032
Energy: 0.6334730013396787
Energy: 0.6762982888744447
Energy: 0.6344335026632941
Energy: 0.772860699575725
Energy: 0.6344335026635352
Energy: 0.734953266912505
Energy: 0.682407540046465
Energy: 0.6700281173201548
Energy: 0.6824075400464099
Energy: 0.7350001415242393
Energy: 0.6709581051840272
Energy: 0.6705193720943432
Energy: 0.6709581051840272
Energy: 0.7471995808143779
Energy: 0.6713239715361882
Energy: 0.671079033378451
Energy: 0.6713239715357063
Energy: 0.7464298921201914
Energy: 0.6722268055404268
Energy: 0.671348143900499
Energy: 0.6722268055404268
Energy: 0.783495550003677
Energy: 0.6699892640861765
Energy: 0.67079305574361
Energy: 0.6699892640866585
Energy: 0.7189687359910435
Energy: 0.7180794195209519
Energy: 0.746362990196395
Energy: 0.7180794195208899
Energy: 0.713891573934616
Energy: 0.7141392812291653
Energy: 0.6874193881217444
Energy: 0.7141392812294681
Energy: 0.7137449193187996
Energy: 0.6949137398592748
Energy: 0.7108004111806875
Energy: 0.6949137398590958
Energy: 0.7136915250513255
Energy: 0.6996278831044292
Energy: 0.6765534282041936
Energy: 0.699627883105097
Energy: 0.7854742117177533
Energy: 0.7099679679734676
Energy: 0.7102965386247931
Energy: 0.7099679679737704

minimum gb energy = 0.6334730013396167 eV
minimum distance =  3.1101332847951 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.7862072695414314
Energy: 0.7070726065275871
Energy: 0.7528901647671844
Energy: 0.6830594001666176
Energy: 0.6504870103443849
Energy: 0.7073805097348838
Energy: 0.7115405657160844
Energy: 0.7073805097348838
Energy: 0.6500369366697362
Energy: 0.6507611473138563
Energy: 0.7294772093893208
Energy: 0.6507611473168545
Energy: 0.6524152774468231
Energy: 0.6523596595112502
Energy: 0.7765411201551236
Energy: 0.6523596595121068
Energy: 0.649846249662231
Energy: 0.6490826579378598
Energy: 0.7308593211219951
Energy: 0.6490826579378598
Energy: 0.6864833983831862
Energy: 0.6488508936284633
Energy: 0.7300670788167906
Energy: 0.6488508936280349
Energy: 0.7230327422047417
Energy: 0.650833492193469
Energy: 0.653826190334344
Energy: 0.650833492193469
Energy: 0.6781356814697136
Energy: 0.648415807056063
Energy: 0.6485443495235087
Energy: 0.6484158070573481
Energy: 0.7695306930522561
Energy: 0.6536641037927271
Energy: 0.6535541582287662
Energy: 0.6536641037922989
Energy: 0.7539507526712156
Energy: 0.7699787427631444
Energy: 0.6496088096841673
Energy: 0.769978742764001
Energy: 0.7694046812456456
Energy: 0.7264014631331779
Energy: 0.7385918811322081
Energy: 0.7264014631327494
Energy: 0.7271228641696842
Energy: 0.7284885424507096
Energy: 0.7456003200541516
Energy: 0.7284885424511379
Energy: 0.7271957217693176
Energy: 0.7279047989315695
Energy: 0.6820775312529302
Energy: 0.7279047989319978
Energy: 0.7273342266494913
Energy: 0.713124737441981
Energy: 0.6765354884521952
Energy: 0.713124737441981
Energy: 0.7271791623740232
Energy: 0.6512076132518528
Energy: 0.6759509756937412
Energy: 0.6512076132514244
Energy: 0.7409370922865952
Energy: 0.6519095378359189
Energy: 0.6904458592392565
Energy: 0.6519095378367755
Energy: 0.6995692116249367
Energy: 0.6490968075373962
Energy: 0.6926983089596419
Energy: 0.6490968075373962
Energy: 0.6689823517688802
Energy: 0.6814817465728435
Energy: 0.7453770599601666
Energy: 0.6814817465719868
Energy: 0.6730227625108525
Energy: 0.673538520626971
Energy: 0.7273852062927113
Energy: 0.6735385206265426
Energy: 0.6681176216541291
Energy: 0.6679884148108008
Energy: 0.7266748542023119
Energy: 0.6679884148103725
Energy: 0.7101356070950493
Energy: 0.6693887403917282
Energy: 0.7287780755235627
Energy: 0.6693887403921566
Energy: 0.7209089023884147
Energy: 0.6506698232691933
Energy: 0.6529561524327088
Energy: 0.6506698232704783
Energy: 0.7215678489910469
Energy: 0.650599037613014
Energy: 0.651212608498891
Energy: 0.6505990376134423
Energy: 0.7633857405471898
Energy: 0.6533531895234342
Energy: 0.6533361354092879
Energy: 0.6533531895234342
Energy: 0.7540606048263379
Energy: 0.6524291454261546
Energy: 0.6512862213926379
Energy: 0.652429145425298
Energy: 0.7717146284055266
Energy: 0.7077671629510658
Energy: 0.6519377283001432
Energy: 0.7077671629519225
Energy: 0.7077176330886686
Energy: 0.7127771796294391
Energy: 1.0079075486278688
Energy: 0.7127771796285824
Energy: 0.7076260378298099
Energy: 0.7082382170898117
Energy: 0.7064800461391508
Energy: 0.7082382170893834
Energy: 0.7150435443587669
Energy: 0.6913473789476201
Energy: 0.7069576662068259
Energy: 0.6913473789476201
Energy: 0.7070500398950261
Energy: 0.692031572627568
Energy: 0.6767326399727326
Energy: 0.6920315726267113
Energy: 0.7193232531945466
Energy: 0.706206693667791
Energy: 0.7075675438643165
Energy: 0.7062066936673627

minimum gb energy = 0.648415807056063 eV
minimum distance =  3.10452793029238 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.6222765507852516
Energy: 0.676215723614384
Energy: 0.6370091465551623
Energy: 0.622760755374456
Energy: 0.6341178692005577
Energy: 0.6811473367482542
Energy: 0.6327069971546829
Energy: 0.6811473367482542
Energy: 0.634075175632936
Energy: 0.6725821836094806
Energy: 0.6241590694438786
Energy: 0.6725821836097707
Energy: 0.6277833526221938
Energy: 0.6337958059498155
Energy: 0.6341433036042621
Energy: 0.6337958059496663
Energy: 0.633729983673334
Energy: 0.6342901651825811
Energy: 0.6259483062499892
Energy: 0.6342901651876873
Energy: 0.6341312030106419
Energy: 0.6780708743393129
Energy: 0.626649874274988
Energy: 0.6780708743390227
Energy: 0.6239135640006647
Energy: 0.6731132345449017
Energy: 0.6341787849194092
Energy: 0.6731132345446116
Energy: 0.6324304368219485
Energy: 0.6338468510125336
Energy: 0.6306087800765757
Energy: 0.6338468510126827
Energy: 0.6322043497957703
Energy: 0.6334255966419255
Energy: 0.6328072319936497
Energy: 0.633425596641337

minimum gb energy = 0.6222765507852516 eV
minimum distance =  3.14985845430795 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.8584019538033604
Energy: 0.5989631743795568
Energy: 0.7040894957192122
Energy: 0.5846651545074381
Energy: 0.6976831869539427
Energy: 0.6007006618669414
Energy: 0.7032381000591368
Energy: 0.6007006618669414
Energy: 0.7029904027678956
Energy: 0.645247853424961
Energy: 0.7051256025508268
Energy: 0.645247853424961
Energy: 0.6103491067610891
Energy: 0.5974902833230953
Energy: 0.6974199960778837
Energy: 0.5974902833226906
Energy: 0.6968708448231468
Energy: 0.5977012829222295
Energy: 0.7032561953239711
Energy: 0.5977012829226341
Energy: 0.5976677688349485
Energy: 0.5980006944143739
Energy: 0.7019917675257195
Energy: 0.5980006944139692
Energy: 0.597641202423588
Energy: 0.5973017877835761
Energy: 0.6983439366737897
Energy: 0.5973017877835761
Energy: 0.6029752449598382
Energy: 0.600687795413053
Energy: 0.7842120688993925
Energy: 0.6006877954138623
Energy: 0.6129113171485507
Energy: 0.619089626973474
Energy: 0.7835559420864971
Energy: 0.6190896269738787
Energy: 0.7049127045661686
Energy: 0.5862040749005332
Energy: 0.5858982004000122
Energy: 0.5862040749005332
Energy: 0.6117200931177061
Energy: 0.5858384317978178
Energy: 0.5856884776178638
Energy: 0.5858384317978178
Energy: 0.7822163425577233
Energy: 0.5852921963708367
Energy: 0.5859418616018477
Energy: 0.5852921963708367
Energy: 0.7822794298104213
Energy: 0.5857534875253617
Energy: 0.5856302052165547
Energy: 0.5857534875241478
Energy: 0.6101567833013835
Energy: 0.6180226157096413
Energy: 0.703663567022099
Energy: 0.6180226157096413
Energy: 0.5979266631571372
Energy: 0.5979748463513453
Energy: 0.7025363556809125
Energy: 0.5979748463509407
Energy: 0.6002212102526389
Energy: 0.5994412682340049
Energy: 0.697195340954095
Energy: 0.5994412682344095
Energy: 0.5971555995764274
Energy: 0.59755362007459
Energy: 0.6087557834545746
Energy: 0.5975536200737808
Energy: 0.698826787109377
Energy: 0.6024754674318629
Energy: 0.61010269972749
Energy: 0.6024754674314583
Energy: 0.7046929186308581
Energy: 0.6458138467640929
Energy: 0.7061354672865608
Energy: 0.6458138467644976
Energy: 0.6983586289374745
Energy: 0.5973174760193949
Energy: 0.6090816316429025
Energy: 0.5973174760177763
Energy: 0.7016520930338133
Energy: 0.5982978214834107
Energy: 0.697806280007505
Energy: 0.598297821483006
Energy: 0.7030095302969208
Energy: 0.5975908595817555
Energy: 0.5972282931757555
Energy: 0.5975908595817555
Energy: 0.6974729940559355
Energy: 0.5975989847912255
Energy: 0.5973922782790168
Energy: 0.5975989847916301
Energy: 0.7838476429306784
Energy: 0.5996295972115435
Energy: 0.6008837087742939
Energy: 0.599629597211139
Energy: 0.7835056789127125
Energy: 0.6182057190138385
Energy: 0.6117246348439779
Energy: 0.6182057190142431
Energy: 0.5856171679834851
Energy: 0.5862314730528762
Energy: 0.7053746614752254
Energy: 0.5862314730512668
Energy: 0.5857570585207773
Energy: 0.5863732519917636
Energy: 0.6129957661686051
Energy: 0.5863732519917636
Energy: 0.586223821126922
Energy: 0.5854998332393209
Energy: 0.6253242480585639
Energy: 0.5854998332397254
Energy: 0.5856318870192885
Energy: 0.5861900920076194
Energy: 0.7823423660566537
Energy: 0.5861900920055962
Energy: 0.703090611921678
Energy: 0.6178881532354256
Energy: 0.6104393772814577
Energy: 0.6178881532354256
Energy: 0.7032386936365836
Energy: 0.5986457047149275
Energy: 0.5990696610683371
Energy: 0.5986457047145229
Energy: 0.6970631502789174
Energy: 0.5984946788737578
Energy: 0.5989426388826071
Energy: 0.5984946788737578
Energy: 0.60947055440231
Energy: 0.5975520865037984
Energy: 0.5970281262479612
Energy: 0.5975520865037984

minimum gb energy = 0.5846651545074381 eV
minimum distance =  3.11988956017933 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.9270373635645662
Energy: 0.5697391563474636
Energy: 0.5702583180546681
Energy: 0.5539486649378399
Energy: 0.5705409492339414
Energy: 0.5713118692931142
Energy: 0.712731221971462
Energy: 0.5713118692931142
Energy: 0.7157641498824034
Energy: 0.6300872018213131
Energy: 0.7166674813325756
Energy: 0.6300872018207536
Energy: 0.5815382655184158
Energy: 0.6301189287624637
Energy: 0.7079963309078856
Energy: 0.6301189287624637
Energy: 0.5689827125205464
Energy: 0.5687202918036892
Energy: 0.713201715288904
Energy: 0.5687202918031298
Energy: 0.5681738646793193
Energy: 0.5688587144968833
Energy: 0.7130575817481595
Energy: 0.5688587144963239
Energy: 0.5676943012117217
Energy: 0.5683298315038602
Energy: 0.7087426390189221
Energy: 0.5683298315033006
Energy: 0.5756728111613655
Energy: 0.5722013272064426
Energy: 0.8314214605133805
Energy: 0.5722013272064426
Energy: 0.7094692352269812
Energy: 0.5988971659492166
Energy: 0.8309627391247263
Energy: 0.5988971659492166
Energy: 0.7132032369048893
Energy: 0.5736184685154655
Energy: 0.5707916581515964
Energy: 0.5736184685154655
Energy: 0.709350404203698
Energy: 0.5682850946587468
Energy: 0.5675695102834424
Energy: 0.5682850946581872
Energy: 0.8289802905017989
Energy: 0.5694658099521674
Energy: 0.5689060886110285
Energy: 0.5694658099521674
Energy: 0.8290021094100468
Energy: 0.5687346319602148
Energy: 0.5687345755557754
Energy: 0.5687346319602148
Energy: 0.707764735961758
Energy: 0.6298076542126865
Energy: 0.7159807585001354
Energy: 0.6298076542126865
Energy: 0.5822474870097779
Energy: 0.6298230794190299
Energy: 0.71550564540682
Energy: 0.6298230794190299
Energy: 0.5827337462209664
Energy: 0.5701915040145279
Energy: 0.7081366530747943
Energy: 0.5701915040145279
Energy: 0.5686018608888932
Energy: 0.5688708181756427
Energy: 0.7147745181842804
Energy: 0.5688708181750832
Energy: 0.5710817898714211
Energy: 0.5727390338519271
Energy: 0.7057480564731627
Energy: 0.5727390338524865
Energy: 0.5677834863933322
Energy: 0.5683817343633903
Energy: 0.8310325382336504
Energy: 0.5683817343633903
Energy: 0.5694072211616366
Energy: 0.5730825400799895
Energy: 0.8314163584410694
Energy: 0.5730825400799895
Energy: 0.7133243937947611
Energy: 0.5986307708228639
Energy: 0.7079634838572681
Energy: 0.5986307708228639
Energy: 0.7137731773777236
Energy: 0.5701836373402553
Energy: 0.5713392160296068
Energy: 0.5701836373402553
Energy: 0.7083512802742927
Energy: 0.5689290749475688
Energy: 0.5696079426418406
Energy: 0.5689290749475688
Energy: 0.8290387959553616
Energy: 0.5687319041805533
Energy: 0.568001058553922
Energy: 0.5687319041794344

minimum gb energy = 0.5539486649378399 eV
minimum distance =  3.12477451344279 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.62870359522968
Energy: 0.5566562974809753
Energy: 0.6766464222790277
Energy: 0.5458951020600247
Energy: 0.5555608165899052
Energy: 0.5573741077699094
Energy: 0.6441867524719079
Energy: 0.5573741077699094
Energy: 0.724181111868779
Energy: 0.5546323914747702
Energy: 0.6482518294299774
Energy: 0.5546323914702905
Energy: 0.7213847827139419
Energy: 0.5866864502769704
Energy: 0.6430276670989219
Energy: 0.5866864502766247
Energy: 0.6342351698953188
Energy: 0.5458355079860925
Energy: 0.7292880025223881
Energy: 0.5458355079864383
Energy: 0.5464552985997967
Energy: 0.5455268645259919
Energy: 0.7291817837397301
Energy: 0.5455268645266834
Energy: 0.5463731104903111
Energy: 0.5455736676453047
Energy: 0.5642791637786935
Energy: 0.5455736676456506
Energy: 0.5464510602496361
Energy: 0.5458743889475342
Energy: 0.6165000293587587
Energy: 0.5458743889475342
Energy: 0.7321494391513895
Energy: 0.5453967443189078
Energy: 0.7240568727102271
Energy: 0.5453967443189078
Energy: 0.6495708773621828
Energy: 0.5878770263204819
Energy: 0.6439817830431274
Energy: 0.5878770263208276
Energy: 0.7310210856364886
Energy: 0.5543922762860647
Energy: 0.5625762460860098
Energy: 0.5543922762864106
Energy: 0.7289871326630967
Energy: 0.5547498758182049
Energy: 0.643884363771433
Energy: 0.5547498758185506
Energy: 0.7290909095414274
Energy: 0.5540976808015451
Energy: 0.5546191558324999
Energy: 0.5540976807963581
Energy: 0.6509104865612739
Energy: 0.554978043168655
Energy: 0.5560153754772271
Energy: 0.5549780431690008
Energy: 0.7298041395827871
Energy: 0.5564278257710198
Energy: 0.5577006112615209
Energy: 0.5564278257706741
Energy: 0.7360863920550397
Energy: 0.5550667919993088
Energy: 0.5558217049519775
Energy: 0.5550667920000003
Energy: 0.5549490148722669
Energy: 0.557927266473129
Energy: 0.6688381086114911
Energy: 0.557927266473129
Energy: 0.5547757678037425
Energy: 0.5544854031758789
Energy: 0.7326998909722755
Energy: 0.5544854031755331
Energy: 0.5558238218878225
Energy: 0.5579987329097765
Energy: 0.6451334832908409
Energy: 0.5579987329108139
Energy: 0.5560177756320824
Energy: 0.554646357879293
Energy: 0.6164107614496415
Energy: 0.5546463578782554
Energy: 0.6465114108410535
Energy: 0.5563560751803954
Energy: 0.5552815795652861
Energy: 0.5563560751800496
Energy: 0.646755333577496
Energy: 0.556678230114745
Energy: 0.725905201865302
Energy: 0.5566782301150908
Energy: 0.6432634046017685
Energy: 0.5855562503280554
Energy: 0.7213073232284463
Energy: 0.5855562503277096
Energy: 0.7294941089517896
Energy: 0.5468155121521551
Energy: 0.6342316030779356
Energy: 0.5468155121521551
Energy: 0.7293099082495772
Energy: 0.5453509141964253
Energy: 0.5459781390472755
Energy: 0.5453509141964253
Energy: 0.6436750673516853
Energy: 0.5461458967064359
Energy: 0.547263568721381
Energy: 0.5461458967064359
Energy: 0.6171358749059397
Energy: 0.5455635343065441
Energy: 0.5462752731796933
Energy: 0.5455635343055069
Energy: 0.6449993929779041
Energy: 0.5461661157708066
Energy: 0.7302936165199956
Energy: 0.5461661157708066
Energy: 0.6452701597488747
Energy: 0.5861605264706812
Energy: 0.6482152196777968
Energy: 0.586160526471027
Energy: 0.5631607018648825
Energy: 0.5544890851040046
Energy: 0.7302423964330084
Energy: 0.5544890851046962
Energy: 0.6435222915942916
Energy: 0.5542725473074519
Energy: 0.7289909386609804
Energy: 0.5542725473074519
Energy: 0.5545620576083073
Energy: 0.5542045691415161
Energy: 0.7290848106381417
Energy: 0.5542045691415161
Energy: 0.5547830508078754
Energy: 0.5544289349252103
Energy: 0.6514449414843011
Energy: 0.5544289349252103
Energy: 0.5587143175112627
Energy: 0.557393654007082
Energy: 0.7212082259640217
Energy: 0.5573936540074277
Energy: 0.6535529257227439
Energy: 0.5734538982608555
Energy: 0.7360784487051812
Energy: 0.5734538982601638
Energy: 0.6682051041782812
Energy: 0.5566361703741829
Energy: 0.5550521936994902
Energy: 0.5566361703776408
Energy: 0.7321660693574943
Energy: 0.5542070519669162
Energy: 0.5544818326317678
Energy: 0.554207051967262
Energy: 0.7240126505122896
Energy: 0.5552673449308217
Energy: 0.5554194176792544
Energy: 0.5552673449308217

minimum gb energy = 0.5453509141964253 eV
minimum distance =  3.12433396872512 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.0706954923605976
Energy: 0.5096266883351953
Energy: 0.5104144168254049
Energy: 0.50568238624576
Energy: 0.5110804365817189
Energy: 0.5596025647292228
Energy: 0.5096051776211855
Energy: 0.5596025647294901
Energy: 0.5054757092852151
Energy: 0.5600232511882549
Energy: 0.5190154707454989
Energy: 0.5600232511878951
Energy: 0.506213584125527
Energy: 0.5561515600017165
Energy: 0.5084748922962392
Energy: 0.5561515600016342
Energy: 0.508442006557734
Energy: 0.5094507325259935
Energy: 0.515570115293801
Energy: 0.5094507325259009
Energy: 0.5091179561154723
Energy: 0.5084385757409574
Energy: 0.5150277085072101
Energy: 0.5084385757408648
Energy: 0.5084338277968978
Energy: 0.5079491572596353
Energy: 0.5093465635785216
Energy: 0.5079491572597278
Energy: 0.5085331560537937
Energy: 0.5099337664280007
Energy: 0.5047475475496755
Energy: 0.5099337664281858
Energy: 0.5114074973523415
Energy: 0.5079606499958722
Energy: 0.504922978327831
Energy: 0.5079606499957797
Energy: 0.5106609610609684
Energy: 0.5559473696853031
Energy: 0.5101278162708438
Energy: 0.5559473696853031
Energy: 0.509447736845885
Energy: 0.554993863890938
Energy: 0.5046470717000014
Energy: 0.5549938638912052
Energy: 0.5148754978401069
Energy: 0.5079777771453428
Energy: 0.5094763495238932
Energy: 0.5079777771453428
Energy: 0.5147031091486975
Energy: 0.5093080833752577
Energy: 0.508435651872228
Energy: 0.5093080833742605
Energy: 0.5088863999267232
Energy: 0.5076332310447759
Energy: 0.5080006725407555
Energy: 0.5076332310448685
Energy: 0.5048864850226545
Energy: 0.5094636340682375
Energy: 0.5102400939025412
Energy: 0.5094636340682375

minimum gb energy = 0.5046470717000014 eV
minimum distance =  3.15287790282165 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.9368490209951561
Energy: 0.46986307194210575
Energy: 0.6106690056561456
Energy: 0.46619913129557655
Energy: 0.5681629971177635
Energy: 0.46882073673438873
Energy: 0.5690585873283582
Energy: 0.4688207367355264
Energy: 0.47121973811030365
Energy: 0.468363574240386
Energy: 0.5707763440039311
Energy: 0.46836357423962754
Energy: 0.6632707411289498
Energy: 0.46769537534088074
Energy: 0.5698094639385278
Energy: 0.4676953753321757
Energy: 0.5713660099876364
Energy: 0.4690676706440754
Energy: 0.5702189489899776
Energy: 0.46906767064369614
Energy: 0.5705029415215869
Energy: 0.469105637252865
Energy: 0.5689473354472347
Energy: 0.469105637252865
Energy: 0.5705293489844993
Energy: 0.4685510833579235
Energy: 0.5688387621311033
Energy: 0.46855108335981965
Energy: 0.5696158382725865
Energy: 0.4683354916792631
Energy: 0.5747386354948761
Energy: 0.4683354916796422
Energy: 0.4680043101101163
Energy: 0.4676289882719503
Energy: 0.5711715473818937
Energy: 0.46762898827270877
Energy: 0.4680576398839435
Energy: 0.46773524402370154
Energy: 0.571071490249638
Energy: 0.46773524402370154
Energy: 0.4695373007683668
Energy: 0.4683136473955402
Energy: 0.472924664334813
Energy: 0.46831364739629866
Energy: 0.5691801903224536
Energy: 0.46737614126312976
Energy: 0.570682411961917
Energy: 0.46737614126312976
Energy: 0.5713373043803615
Energy: 0.496133327617962
Energy: 0.5683129902110234
Energy: 0.4961333276175827
Energy: 0.5699653416314961
Energy: 0.49597989631909833
Energy: 0.6642898973228387
Energy: 0.49597989627133315
Energy: 0.5691125283423648
Energy: 0.4693310886899322
Energy: 0.5704763078538548
Energy: 0.46933108869031137
Energy: 0.5694696038993909
Energy: 0.46888986517847037
Energy: 0.4697968639467559
Energy: 0.4688898651807285
Energy: 0.5687949292246476
Energy: 0.4682840083091994
Energy: 0.4685050326805578
Energy: 0.4682840083065448
Energy: 0.47260917664901114
Energy: 0.4683267669462884
Energy: 0.4693558498345829
Energy: 0.4683267669462884
Energy: 0.6631600027477329
Energy: 0.4675496046674126
Energy: 0.5681147737143991
Energy: 0.467549604668171
Energy: 0.5713348869265149
Energy: 0.4678564724942159
Energy: 0.5717524167408161
Energy: 0.4678564724942159
Energy: 0.7028445913846945
Energy: 0.46826824741202816
Energy: 0.5682785963937104
Energy: 0.46826824741506196
Energy: 0.5711121716002204
Energy: 0.4683766962875951
Energy: 0.5685327405696096
Energy: 0.4683766962785109
Energy: 0.5682213077659656
Energy: 0.46953648742056703
Energy: 0.5708525563743425
Energy: 0.46953648741677484
Energy: 0.47107595984253164
Energy: 0.4677876115259993
Energy: 0.6708642069952965
Energy: 0.46778761152524084
Energy: 0.5678407122432911
Energy: 0.46796799987258936
Energy: 0.5691217244796777
Energy: 0.46796799987334786
Energy: 0.4689392497918116
Energy: 0.46785657508992395
Energy: 0.5693699156631253
Energy: 0.4678565750891655
Energy: 0.4681994330155721
Energy: 0.46772505909764717
Energy: 0.5698886451877763
Energy: 0.46772505909764717
Energy: 0.46807310574361527
Energy: 0.46782723694373285
Energy: 0.4746197930135702
Energy: 0.4678272369448705
Energy: 0.5679015585362107
Energy: 0.46813305316579173
Energy: 0.6637955861540482
Energy: 0.4681330531650333
Energy: 0.5713797322691153
Energy: 0.4960022535270975
Energy: 0.5681342619940485
Energy: 0.49600225352899363
Energy: 0.5686716923135274
Energy: 0.4970846103168931
Energy: 0.7031745510786065
Energy: 0.49708461031575546
Energy: 0.5695306292655117
Energy: 0.46875986067332653
Energy: 0.5678511316440642
Energy: 0.4687598606737058
Energy: 0.569040348116419
Energy: 0.46832064821111347
Energy: 0.467902216539114
Energy: 0.46832064821225106
Energy: 0.6707450298371455
Energy: 0.46776384021109946
Energy: 0.4682842983465371
Energy: 0.46776384021109946
Energy: 0.6632958389217417
Energy: 0.4675837072821648
Energy: 0.4682576064430573
Energy: 0.4675837072833024

minimum gb energy = 0.46619913129557655 eV
minimum distance =  3.14208093342323 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.9222669102795391
Energy: 0.43338141980653694
Energy: 0.4333661707592521
Energy: 0.4294715536224435
Energy: 0.5956156554930248
Energy: 0.43435241693035137
Energy: 0.6067099863419437
Energy: 0.43435241693028465
Energy: 0.6849459422283529
Energy: 0.43340094387646966
Energy: 0.6052622767080182
Energy: 0.4334009438770628
Energy: 0.6846540203136494
Energy: 0.4855500114188356
Energy: 0.6013199648283899
Energy: 0.48555001141890236
Energy: 0.5943949442623709
Energy: 0.4256742829538398
Energy: 0.6783462790172198
Energy: 0.42567428295371373
Energy: 0.5141307413819112
Energy: 0.4252859280081468
Energy: 0.42387038093482077
Energy: 0.4252859280086659
Energy: 0.5140075519874048
Energy: 0.42523687139689126
Energy: 0.758686172448842
Energy: 0.4252368713955863
Energy: 0.5188793260259034
Energy: 0.42573190891581825
Energy: 0.5175527641110066
Energy: 0.42573190891620377
Energy: 0.5133205349085315
Energy: 0.4228589286506619
Energy: 0.6870230563670369
Energy: 0.4228589286509881
Energy: 0.5130020171351004
Energy: 0.4230581915864248
Energy: 0.7582762066789845
Energy: 0.42305819158623215
Energy: 0.5240211852551483
Energy: 0.5237444612433814
Energy: 0.8237708751797057
Energy: 0.5237444612434482
Energy: 0.6808379010201533
Energy: 0.42289236376563
Energy: 0.5943526617153151
Energy: 0.42289236376563
Energy: 0.6809905999397907
Energy: 0.42267217719644734
Energy: 0.6849654542118272
Energy: 0.42267217719716654
Energy: 0.6809007485463334
Energy: 0.4770173162275636
Energy: 0.6846753595989284
Energy: 0.4770173162283494
Energy: 0.6783462790170195
Energy: 0.47628588969202684
Energy: 0.5950747748267246
Energy: 0.4762858896922271
Energy: 0.5947413167590044
Energy: 0.47725350252370574
Energy: 0.5141662234164267
Energy: 0.4772535025250107
Energy: 0.7632251884803433
Energy: 0.47652932451747176
Energy: 0.5140716624301499
Energy: 0.47652932451767205
Energy: 0.5175531519550378
Energy: 0.4340663474473543
Energy: 0.4382862800640064
Energy: 0.43406634744696143
Energy: 0.6870230567910668
Energy: 0.43322676369294894
Energy: 0.43360549220913597
Energy: 0.43322676369288227
Energy: 0.681539949563811
Energy: 0.4333406633908184
Energy: 0.43703732207739343
Energy: 0.4333406633908184

minimum gb energy = 0.42267217719644734 eV
minimum distance =  3.13193041189416 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.9896114186444728
Energy: 0.3697959365746879
Energy: 0.36982154987476173
Energy: 0.37250771080104655
Energy: 0.7631037846382767
Energy: 0.36975085827675563
Energy: 0.5085540973179374
Energy: 0.36975085827573667
Energy: 0.8777591686540955
Energy: 0.3689450635684566
Energy: 0.5104225439108552
Energy: 0.3689450635684566
Energy: 0.6466747774177137
Energy: 0.37065067672833124
Energy: 0.5087404692189453
Energy: 0.3706506767278218
Energy: 0.6517871182915134
Energy: 0.41243079522851456
Energy: 0.7632026598552094
Energy: 0.41243079522699766
Energy: 0.6475896522024507
Energy: 0.41161127308735973
Energy: 0.764487590281865
Energy: 0.4116112730868503
Energy: 0.6496713477753626
Energy: 0.41240751717349877
Energy: 0.6519059598478405
Energy: 0.41240751717349877
Energy: 0.5084579782178208
Energy: 0.370667519665247
Energy: 0.7616989209533701
Energy: 0.370667519665247
Energy: 0.5104386041953073
Energy: 0.3688718270788562
Energy: 0.7631635946058694
Energy: 0.36887182707987515
Energy: 0.5086667310124775
Energy: 0.3696557901745819
Energy: 0.7631975957905479
Energy: 0.3696557901745819
Energy: 0.37018155840084777
Energy: 0.36994605341202874
Energy: 0.833260736237327
Energy: 0.36994605341202874
Energy: 0.36899704586558457
Energy: 0.3696459279127503
Energy: 0.7634441388832421
Energy: 0.3696459279132598
Energy: 0.3695725033126734
Energy: 0.36898909748255065
Energy: 0.6473678049442417
Energy: 0.36898909748204123
Energy: 0.37558440963061385
Energy: 0.36911710249586965
Energy: 0.8744624493539627
Energy: 0.3691171024948507
Energy: 0.510196943989706
Energy: 0.3686313898155958
Energy: 0.7636728646843599
Energy: 0.3686313898155958
Energy: 0.5084673459931097
Energy: 0.370221487460925
Energy: 0.8758768650787792
Energy: 0.370221487460925
Energy: 0.6518416736003758
Energy: 0.3693172359478044
Energy: 0.8757911969266704
Energy: 0.3693172359478044
Energy: 0.5102792286621883
Energy: 0.4124966651036451
Energy: 0.6517423599472398
Energy: 0.4124966651026262
Energy: 0.7629094934893164
Energy: 0.41209832957531634
Energy: 0.6490046959947493
Energy: 0.4120983295758258
Energy: 0.6526223180939343
Energy: 0.4117035614884455
Energy: 0.6485432277661481
Energy: 0.4117035614884455
Energy: 0.7613548704431029
Energy: 0.3700414204201321
Energy: 0.5112890580714051
Energy: 0.37004142052350897
Energy: 0.7633907843023195
Energy: 0.3683493075951771
Energy: 0.3692245799395435
Energy: 0.3683493075951771
Energy: 0.7616855470564978
Energy: 0.36893549162410005
Energy: 0.5082248959174687
Energy: 0.36893549162410005
Energy: 0.76144172553444
Energy: 0.3706511102615092
Energy: 0.36912967556167425
Energy: 0.37065111026049025
Energy: 0.7635624424016428
Energy: 0.36863568972417077
Energy: 0.36897576060849124
Energy: 0.36863568972417077
Energy: 0.8744386226819011
Energy: 0.3702042619741528
Energy: 0.37262639794246394
Energy: 0.3702042619741528

minimum gb energy = 0.3683493075951771 eV
minimum distance =  3.15523274853237 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.9637153571331919
Energy: 0.3293566391236786
Energy: 0.3304961538376557
Energy: 0.3335844148650588
Energy: 0.8571057193418096
Energy: 0.3298183358516565
Energy: 0.44634885915401146
Energy: 0.3298183358491503
Energy: 0.9512016633900741
Energy: 0.3287257360094839
Energy: 0.4494251446003025
Energy: 0.32872573600906624
Energy: 0.761371545258303
Energy: 0.33096220480619476
Energy: 0.5690356623013809
Energy: 0.33096220480327093
Energy: 0.7652462683869254
Energy: 0.32788623251879767
Energy: 0.6658524232030725
Energy: 0.3278862325192154
Energy: 0.764216429710281
Energy: 0.3291403628493346
Energy: 0.6642618698966669
Energy: 0.32914036284849923
Energy: 0.7660132256746888
Energy: 0.3653058357879175
Energy: 0.7651049061627978
Energy: 0.36530583578833514
Energy: 0.6675123744199731
Energy: 0.36460374664479656
Energy: 0.6631081479900943
Energy: 0.36460374664479656
Energy: 0.5644157893724
Energy: 0.32868159570524735
Energy: 0.8578506602260656
Energy: 0.3286815957060828
Energy: 0.5637055906412418
Energy: 0.3280785206802533
Energy: 0.7658692561706159
Energy: 0.32807852068067095
Energy: 0.4508427882001231
Energy: 0.3302129446974764
Energy: 0.8553158358804104
Energy: 0.33021294471125057
Energy: 0.44726602347412747
Energy: 0.32811984675696304
Energy: 0.8571139229010717
Energy: 0.32811984675696304
Energy: 0.4462134772739947
Energy: 0.3288675714305123
Energy: 0.8560313290210391
Energy: 0.3288675714300946
Energy: 0.3283320781027989
Energy: 0.33092499070173087
Energy: 0.8549527970413088
Energy: 0.33092499070173087
Energy: 0.3285587944994393
Energy: 0.32876869620948496
Energy: 0.85683428758625
Energy: 0.32876869620948496
Energy: 0.3291061161680028
Energy: 0.32982344131668917
Energy: 0.9475628910656175
Energy: 0.3298234413171069
Energy: 0.44931476057461883
Energy: 0.3296945984632298
Energy: 0.9474746252917491
Energy: 0.3296945984628121
Energy: 0.4478896344694059
Energy: 0.32830740033326017
Energy: 0.7649915214985612
Energy: 0.3283074003345133
Energy: 0.44711126712677407
Energy: 0.32927766065607644
Energy: 0.7644613355574681
Energy: 0.32927766065607644
Energy: 0.6641441923880979
Energy: 0.3285220709110229
Energy: 0.7635895578766805
Energy: 0.32852207091227603
Energy: 0.6638787934818072
Energy: 0.32858260417385415
Energy: 0.7659037297792249
Energy: 0.32858260417385415
Energy: 0.6646838121602724
Energy: 0.3647117634000288
Energy: 0.7619723999412206
Energy: 0.3647117633950166
Energy: 0.8577719714797711
Energy: 0.36372347725491266
Energy: 0.7629410184015555
Energy: 0.36372347725449494
Energy: 0.6660080761801079
Energy: 0.3642016370688964
Energy: 0.6639864419811382
Energy: 0.36420163706304887
Energy: 0.8570554303017082
Energy: 0.32828309344484885
Energy: 0.566894833078593
Energy: 0.3282830933868191
Energy: 0.8581643172151536
Energy: 0.32969185568073955
Energy: 0.6633411357287219
Energy: 0.32969185568073955
Energy: 0.8552802864297324
Energy: 0.3294677946805957
Energy: 0.4472091951110547
Energy: 0.3294677946805957
Energy: 0.8582052975549168
Energy: 0.3284826240360948
Energy: 0.4480085061076832
Energy: 0.32848262403860096
Energy: 0.8550638579961639
Energy: 0.3295235286354068
Energy: 0.4489981366301491
Energy: 0.3295235286349891
Energy: 0.8577742725004374
Energy: 0.3287054738207842
Energy: 0.32951030817737903
Energy: 0.3287054738207842
Energy: 0.8571549261596183
Energy: 0.3285038932833823
Energy: 0.3294506762250927
Energy: 0.3285038932838
Energy: 0.94746068404455
Energy: 0.328817363747302
Energy: 0.3297030524040627
Energy: 0.32881736374688436

minimum gb energy = 0.32788623251879767 eV
minimum distance =  3.1606166017113 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.8895113652236164
Energy: 0.30089320901831684
Energy: 0.30071466786743434
Energy: 0.3001222422445208
Energy: 0.9219154280988755
Energy: 0.30012063810557077
Energy: 0.4021833231305623
Energy: 0.30012063810415546
Energy: 0.9622520970429769
Energy: 0.29992558576480943
Energy: 0.4027135531649004
Energy: 0.29992558576480943
Energy: 0.8793268024840204
Energy: 0.30182378522583764
Energy: 0.5921090878130006
Energy: 0.30182378522477615
Energy: 0.844960976481363
Energy: 0.29872799849705445
Energy: 0.5903031992116451
Energy: 0.2987279984853778
Energy: 0.8836831993934017
Energy: 0.299189354186683
Energy: 0.5884425604302259
Energy: 0.2991893541870369
Energy: 0.7178674252401444
Energy: 0.29997382744848183
Energy: 0.7588977642069209
Energy: 0.2999738273819925
Energy: 0.7613591400190762
Energy: 0.33112835266659985
Energy: 0.633621444430696
Energy: 0.3311283526623538
Energy: 0.7180205921501805
Energy: 0.32932506433167935
Energy: 0.7581434086237966
Energy: 0.32932506425032876
Energy: 0.7170450138497704
Energy: 0.2982779276655199
Energy: 0.808851542626967
Energy: 0.29827792675337406
Energy: 0.5917290035479168
Energy: 0.29842609057934655
Energy: 0.7984737556157212
Energy: 0.2984260905386713
Energy: 0.545797014293234
Energy: 0.2981024747137609
Energy: 0.9201525790507603
Energy: 0.29810247471482243
Energy: 0.5885336792190912
Energy: 0.298817568992028
Energy: 0.961578325930801
Energy: 0.29881756899096645
Energy: 0.3970070709730796
Energy: 0.2992055209137462
Energy: 0.8034523998756592
Energy: 0.29920552091622304
Energy: 0.3975362156325464
Energy: 0.29814515947459647
Energy: 0.8407927058999587
Energy: 0.29814515947848874
Energy: 0.3956859040725424
Energy: 0.298336644024727
Energy: 0.9620783338842984
Energy: 0.29833664402508087
Energy: 0.3524912532706657
Energy: 0.29940940404401695
Energy: 0.9577973258744458
Energy: 0.2994094040429715
Energy: 0.3494749999949743
Energy: 0.2972089792721564
Energy: 0.9204199882936701
Energy: 0.2972089792714488
Energy: 0.35132090681271394
Energy: 0.29799347075417737
Energy: 0.843446877940018
Energy: 0.29799347075382354
Energy: 0.4521303363367944
Energy: 0.30196775652899266
Energy: 1.0024600600660059
Energy: 0.30196775652757735
Energy: 0.4565264121526528
Energy: 0.29798951553311953
Energy: 0.9987243008580264
Energy: 0.2979895155324118
Energy: 0.45251863790307506
Energy: 0.2990390756803274
Energy: 0.8858354363172348
Energy: 0.299039075678912
Energy: 0.5815700774502397
Energy: 0.29798075218345343
Energy: 0.8816923659115041
Energy: 0.29798075218416104
Energy: 0.5866346150785674
Energy: 0.29836531963931295
Energy: 0.8402407447951291
Energy: 0.2983653195448704
Energy: 0.5843067070255419
Energy: 0.2995347392470547
Energy: 0.7201018621493617
Energy: 0.299534740494494
Energy: 0.7604184960514313
Energy: 0.3288148612160112
Energy: 0.8405971478144224
Energy: 0.328814861214242
Energy: 0.632284322929869
Energy: 0.32895367823359867
Energy: 0.7571722651705795
Energy: 0.3289536781253725
Energy: 0.761724872024761
Energy: 0.3290973186655424
Energy: 0.7205809633435607
Energy: 0.3290973186482205
Energy: 0.8020479133591943
Energy: 0.32905025538400073
Energy: 0.7221443030562686
Energy: 0.3290502553564174
Energy: 0.8012451571818439
Energy: 0.2992456078439507
Energy: 0.5881735249089555
Energy: 0.299245607843243
Energy: 0.8444106676571534
Energy: 0.298690487074557
Energy: 0.5458298736841188
Energy: 0.29869048707526463
Energy: 0.803011835782004
Energy: 0.3012915684402687
Energy: 0.5613445762778594
Energy: 0.3012915684388534
Energy: 0.96086880721859
Energy: 0.30023551858314507
Energy: 0.40264256643377083
Energy: 0.30023551858349895
Energy: 0.9218909542809565
Energy: 0.29980070677144677
Energy: 0.4027112397155579
Energy: 0.2998007067703853
Energy: 0.958010744961225
Energy: 0.30144540782704277
Energy: 0.30346949779964405
Energy: 0.3014454078266889
Energy: 0.8814536189360779
Energy: 0.3005269794580463
Energy: 0.29978070956124636
Energy: 0.3005269794580463
Energy: 0.9612143122799098
Energy: 0.30102034799936733
Energy: 0.30002021696883824
Energy: 0.3010203479997212

minimum gb energy = 0.2972089792714488 eV
minimum distance =  3.15432618498282 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.9089283802154298
Energy: 0.2682003178870763
Energy: 0.26827426373879387
Energy: 0.26836066783400575
Energy: 0.9635026445754977
Energy: 0.269300375164886
Energy: 0.35791088731331105
Energy: 0.2693003751642722
Energy: 0.8938593161073269
Energy: 0.26918959234690437
Energy: 0.36046497129013716
Energy: 0.2691895923484388
Energy: 0.746655037811736
Energy: 0.268547181099408
Energy: 0.5245856429809332
Energy: 0.268547181301554
Energy: 0.8957927672018244
Energy: 0.2678171973906923
Energy: 0.525494968440355
Energy: 0.26781719750020117
Energy: 0.7489896689896043
Energy: 0.2686087403003799
Energy: 0.5246134637827777
Energy: 0.2686087403046693
Energy: 0.7478086289029262
Energy: 0.2694485409620569
Energy: 0.6770122561753761
Energy: 0.2694485417184987
Energy: 0.8220948041358505
Energy: 0.2679062623703865
Energy: 0.5227886965406885
Energy: 0.26790626237007964
Energy: 0.7490332639412748
Energy: 0.26827588593098867
Energy: 0.6751378408097946
Energy: 0.26827588593190926
Energy: 0.7491710861758427
Energy: 0.31995936017842846
Energy: 0.8215231564417851
Energy: 0.31995936018455917
Energy: 0.6754096893757918
Energy: 0.3196643299596105
Energy: 0.6742615640819981
Energy: 0.3196643288731078
Energy: 0.5999959793505959
Energy: 0.2681631880556378
Energy: 0.8216505967779193
Energy: 0.26816318775839953
Energy: 0.675303292157853
Energy: 0.2680832030767668
Energy: 0.8217703039703982
Energy: 0.2680832031071344
Energy: 0.5245200793912723
Energy: 0.26918807653491245
Energy: 0.6729408204905619
Energy: 0.26918807653736754
Energy: 0.4463387396306536
Energy: 0.26789351282297724
Energy: 0.9629235343942844
Energy: 0.26789351282328416
Energy: 0.5257302098394245
Energy: 0.2703333743256678
Energy: 0.8200624381000126
Energy: 0.27033337432658844
Energy: 0.35792515966196564
Energy: 0.2681177134863205
Energy: 0.8200945169505631
Energy: 0.2681177134869343
Energy: 0.35858120921035297
Energy: 0.26941631384057446
Energy: 0.8956232136311811
Energy: 0.2694163138408813
Energy: 0.3587280567811057
Energy: 0.26858509377897993
Energy: 0.9607363523952124
Energy: 0.26858509377897993
Energy: 0.26818587525188775
Energy: 0.2700528988326593
Energy: 0.9607200736687851
Energy: 0.2700528988326593
Energy: 0.26832344561599897
Energy: 0.2681037482218328
Energy: 0.8960764217495623
Energy: 0.2681037482221397
Energy: 0.2681374976258565
Energy: 0.2683871566466579
Energy: 0.8917018461689249
Energy: 0.2683871566423615
Energy: 0.359681700742683
Energy: 0.269919338253859
Energy: 1.0298081475532985
Energy: 0.269919338253859
Energy: 0.3587302887355159
Energy: 0.2680451617762343
Energy: 0.9633356148943707
Energy: 0.2680451617762343
Energy: 0.3590577339862511
Energy: 0.2682702102863826
Energy: 0.7465909326246492
Energy: 0.26827021022349923
Energy: 0.5244000452758172
Energy: 0.2684284906054171
Energy: 0.9623462723784254
Energy: 0.2684284906054171
Energy: 0.5249046018222289
Energy: 0.2679390245164697
Energy: 0.8940466026648506
Energy: 0.26793902451677665
Energy: 0.5244887707293646
Energy: 0.2697291635989998
Energy: 0.7480080684043162
Energy: 0.26972916359746535
Energy: 0.6753362025941948
Energy: 0.26784818387611825
Energy: 0.8954932440938743
Energy: 0.267848183698516
Energy: 0.6760497816478528
Energy: 0.26824086118085183
Energy: 0.7493842432786184
Energy: 0.26824086117716917
Energy: 0.7526427469677013
Energy: 0.3197607432039351
Energy: 0.598436824791229
Energy: 0.319760743204242
Energy: 0.6742985974740229
Energy: 0.319712958372051
Energy: 0.7526099811154889
Energy: 0.31971295837419916
Energy: 0.8227700646584369
Energy: 0.26825461945302503
Energy: 0.600408061634426
Energy: 0.26825461947449997
Energy: 0.8954845507366045
Energy: 0.26780482802518674
Energy: 0.6010841897304748
Energy: 0.26780482802641425
Energy: 0.6728824864261521
Energy: 0.27011279148107753
Energy: 0.5245369259315198
Energy: 0.2701127903362948
Energy: 0.896966839987068
Energy: 0.267928185254659
Energy: 0.5250522834576022
Energy: 0.2679281852534315
Energy: 0.9618389961819642
Energy: 0.26862903027437957
Energy: 0.5243924736241125
Energy: 0.26862903027437957
Energy: 0.8202211993474218
Energy: 0.2683951132014219
Energy: 0.3582754063897416
Energy: 0.26839511319681864
Energy: 0.895709769421016
Energy: 0.267886666764902
Energy: 0.3586687516237706
Energy: 0.26788666676520895
Energy: 0.9607088012533732
Energy: 0.2708165075124661
Energy: 0.360153372437377
Energy: 0.2708165075124661
Energy: 0.8188665695349956
Energy: 0.26961689875148337
Energy: 0.2687142851396149
Energy: 0.26961689875148337
Energy: 0.8958193489286556
Energy: 0.2679816630854242
Energy: 0.2682301692614389
Energy: 0.2679816630835829
Energy: 0.8916421636397969
Energy: 0.2683773886300601
Energy: 0.26854001026424423
Energy: 0.2683773886300601

minimum gb energy = 0.26780482802518674 eV
minimum distance =  3.15664058904134 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.0044528029075922935
Energy: 0.24035766242383855
Energy: 0.7858509153461795
Energy: 0.00473396513528035
Energy: 0.5961872005067326
Energy: 0.06104112965740832
Energy: 0.5974328819161292
Energy: 0.06104112965717896
Energy: 0.0046849202029930846
Energy: 0.060432895162642435
Energy: 0.5969306146579346
Energy: 0.060432895162642435
Energy: 0.00520995735650965
Energy: 0.06199477328570992
Energy: 0.5967355881862099
Energy: 0.0619947732852512
Energy: 0.5972743998722596
Energy: 0.061692069411256704
Energy: 0.5995827212729777
Energy: 0.061692069411256704
Energy: 0.004660970063667022
Energy: 0.06041003036517484
Energy: 0.5992921194523001
Energy: 0.06041003036493893

minimum gb energy = 0.0044528029075922935 eV
minimum distance =  3.46133551278518 Angstroms
sigma value = 1