Model name: model_name=MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650822877884
cohesive_energy=3.3602642806077516
mass=26.981538
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=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.94765107381162e-19, 4.1539633589717995e-19, 4.3350093186138e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-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: 0.010353198126729562
Energy: 0.26760470921373375
Energy: 0.010925915861303644
Energy: 0.012019444386174747
Energy: 0.26793067879346194
Energy: 0.010818061256263318
Energy: 0.2676047092076099
Energy: 0.04968663557146125
Energy: 0.04976173737276608
Energy: 0.049826779041656666
Energy: 0.04964890880065311
Energy: 0.04974139044711878
Energy: 0.010925915861526327
Energy: 0.04976173737276608
Energy: 0.051555245080695
Energy: 0.011183104966255355
Energy: 0.049789562845514515
Energy: 0.05102993945924003
Energy: 0.012019444386425266
Energy: 0.04982677904143398
Energy: 0.011183104966255355
Energy: 0.010557057848297725
Energy: 0.04989315302459499
Energy: 0.01197320141260578
Energy: 0.26793067957550104
Energy: 0.04964890880065311
Energy: 0.049789562845514515
Energy: 0.04989315302484551
Energy: 0.0496742022405299
Energy: 0.04986938182902161
Energy: 0.010818061256513837
Energy: 0.04974139044686826
Energy: 0.051029939458738995
Energy: 0.01197320141260578
Energy: 0.0498693818285484
Energy: 0.010830755116249476

minimum gb energy = 0.010353198126729562 eV
minimum distance =  2.85320486025186 Angstroms
sigma value = 1


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

Energy: 0.7454852576877172
Energy: 0.5915425731992412
Energy: 0.5544759855587751
Energy: 0.563907649460358
Energy: 0.5838711401264766
Energy: 0.55490772434223
Energy: 0.718818748540319
Energy: 0.5310235366311069
Energy: 0.5309633057997976
Energy: 0.5531941100784652
Energy: 0.5311971263462625
Energy: 0.5306919504993413
Energy: 0.7646813504208735
Energy: 0.5308829030676947
Energy: 0.5310886521246793
Energy: 0.5426958566337367
Energy: 0.5308779699251377
Energy: 0.5307804473212306
Energy: 0.7662979321047171
Energy: 0.5309128215217981
Energy: 0.5399373969394676
Energy: 0.5427838101380569
Energy: 0.5310662577065884
Energy: 0.5375799010427622
Energy: 0.7201769418157398
Energy: 0.5351358462923024
Energy: 0.5452084557012118
Energy: 0.5591780310322223
Energy: 0.5324675038627925
Energy: 0.5552588422693738
Energy: 0.7117075399200584
Energy: 0.553705567420176
Energy: 0.5574474356344535
Energy: 0.5645684003841398
Energy: 0.5516546380277603
Energy: 0.5585829502712697
Energy: 0.7139042544100684
Energy: 0.5582970583699252
Energy: 0.5564481367454964
Energy: 0.5621340917951563
Energy: 0.5709066052751046
Energy: 0.559922830877363
Energy: 0.6835022736670564
Energy: 0.5608016683649789
Energy: 0.5555730710864314
Energy: 0.5572010042305221
Energy: 0.5451025970372446
Energy: 0.556772981843657
Energy: 0.615462333011064
Energy: 0.5592245848046281
Energy: 0.5582804412683329
Energy: 0.55310585325913
Energy: 0.5640564808382135
Energy: 0.5563521998930059
Energy: 0.61579056643591
Energy: 0.5538347975304151
Energy: 0.5413359739532358
Energy: 0.533298237561805
Energy: 0.5535512012796933
Energy: 0.530752299541088
Energy: 0.5890190674206537
Energy: 0.547656295493085
Energy: 0.547677974303754
Energy: 0.6318240365294545
Energy: 0.5433789228897582
Energy: 0.5307572112779937
Energy: 0.5327928148866691
Energy: 0.5427658776645284
Energy: 0.5306219358187201
Energy: 0.5327274232657102
Energy: 0.516039460256597
Energy: 0.530842967997338
Energy: 0.5309833180157452
Energy: 0.5338062081714062
Energy: 0.5309145591383844
Energy: 0.5311291260382743
Energy: 0.5346089436142849
Energy: 0.5310167213785821
Energy: 0.5593057886799488
Energy: 0.5451130458643976
Energy: 0.5413154732150705
Energy: 0.530868967417018
Energy: 0.5379995689366978
Energy: 0.5313904979003489
Energy: 0.5605598366404312
Energy: 0.5336582763372314
Energy: 0.5310151642048099
Energy: 0.533142530347463
Energy: 0.5606825975202486
Energy: 0.5310975669710148
Energy: 0.5613900233064321
Energy: 0.544058298311319
Energy: 0.5444674844017524
Energy: 0.5482028675702526
Energy: 0.5509060549551801
Energy: 0.5443190240629336
Energy: 0.6695671388386057
Energy: 0.5527751226579278
Energy: 0.5558511429840863
Energy: 0.5443203122761868
Energy: 0.5541267183931614
Energy: 0.5447794067850215
Energy: 0.6661399033532419
Energy: 0.5621013155467327
Energy: 0.5585526228460661
Energy: 0.5430321603946767
Energy: 0.5582221857951788
Energy: 0.560055866384131
Energy: 0.6585670091998606
Energy: 0.5569693100291485
Energy: 0.5592345300235195
Energy: 0.5538817652347066
Energy: 0.5496846354375335
Energy: 0.5586269771788086
Energy: 0.6787612582505761
Energy: 0.5418380177054447
Energy: 0.559911537647418
Energy: 0.5548716830436274
Energy: 0.5447193507968561
Energy: 0.5580017951997053
Energy: 0.7336322368453654
Energy: 0.5437289734340711
Energy: 0.5478029330671613
Energy: 0.5475842736543647
Energy: 0.5425955050434568
Energy: 0.538828834377233
Energy: 0.733992053238248
Energy: 0.5462251236241125
Energy: 0.5443589671687423
Energy: 0.5627915119560672
Energy: 0.546106994674855
Energy: 0.5443261900083429
Energy: 0.7457439053685168
Energy: 0.5311446390040638
Energy: 0.5308397766201979
Energy: 0.5477005575998111
Energy: 0.531214659080037
Energy: 0.5308624504531022

minimum gb energy = 0.516039460256597 eV
minimum distance =  2.64028485494866 Angstroms
sigma value = 33


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

Energy: 0.9876594721205257
Energy: 0.538250464431464
Energy: 0.5491685206674279
Energy: 0.5474741648426806
Energy: 0.6473462842320822
Energy: 0.5665595352127502
Energy: 0.6948408318645841
Energy: 0.538198812051583
Energy: 0.5378255321207186
Energy: 0.5512615072835755
Energy: 0.5395305489712432
Energy: 0.5585649117518181
Energy: 0.6733088210603569
Energy: 0.5555502937304045
Energy: 0.544766231660709
Energy: 0.5477764690116664
Energy: 0.5472604168548794
Energy: 0.5554664759682867
Energy: 0.7235692943928369
Energy: 0.5547279587227222
Energy: 0.5558763596066935
Energy: 0.5552199558176916
Energy: 0.5604368709147153
Energy: 0.553052264329681
Energy: 0.6775144052141534
Energy: 0.5565347265710011
Energy: 0.5565660442480621
Energy: 0.5576792878812263
Energy: 0.5572850226238406
Energy: 0.5550082759693216
Energy: 0.7221154832922096
Energy: 0.5598216835696733
Energy: 0.5663613184880348
Energy: 0.5701282201172608
Energy: 0.5563017163934958
Energy: 0.5706122188791579
Energy: 0.7225580877861302
Energy: 0.5695714177651355
Energy: 0.5680536407312675
Energy: 0.566406239815166
Energy: 0.5682915105449724
Energy: 0.5677834433353751
Energy: 0.6916607132064554
Energy: 0.5611509310401925
Energy: 0.5595516362747311
Energy: 0.57796117983912
Energy: 0.5528413569533945
Energy: 0.558620848986524
Energy: 0.6111717043949596
Energy: 0.5585863836618828
Energy: 0.567216812051024
Energy: 0.55971654501669
Energy: 0.5536112304054982
Energy: 0.5671810262965149
Energy: 0.6126488480924043
Energy: 0.5654055431088009
Energy: 0.5540094890780513
Energy: 0.5550474301452385
Energy: 0.5650106203885289
Energy: 0.5535777310262805
Energy: 0.5913290349532866
Energy: 0.5298274056813879
Energy: 0.5293238449940577
Energy: 0.591389645826119
Energy: 0.5298005821702796
Energy: 0.5293591724109188
Energy: 0.5554265760565663
Energy: 0.5298204914277803
Energy: 0.554620862488363
Energy: 0.5549803317041956
Energy: 0.5443779702935937
Energy: 0.5541100779970595
Energy: 0.5554400498265131
Energy: 0.5602477977265115
Energy: 0.553902672636707
Energy: 0.5550844094617695
Energy: 0.5594586292834574
Energy: 0.5537343745421561
Energy: 0.6310631618932818
Energy: 0.5533294920246192
Energy: 0.5537926407338918
Energy: 0.6267963902263933
Energy: 0.5561487729135767
Energy: 0.5617468907871865
Energy: 0.6106692728532606
Energy: 0.575722556870327
Energy: 0.5542395557161961
Energy: 0.5553485680238776
Energy: 0.5708140328448817
Energy: 0.5540273698751552
Energy: 0.6096157805364312
Energy: 0.5698161323908866
Energy: 0.5717552690687342
Energy: 0.5556896681981524
Energy: 0.5683160748476929
Energy: 0.5706315913971065
Energy: 0.6793779096380563
Energy: 0.5673505328420062
Energy: 0.5681509785470318
Energy: 0.5806356596458709
Energy: 0.5674934783870469
Energy: 0.5662386884901027
Energy: 0.6637645232206174
Energy: 0.5709411686516362
Energy: 0.5698615090149508
Energy: 0.5368186457123849
Energy: 0.577438435083445
Energy: 0.5585243103026959
Energy: 0.6625219165191074
Energy: 0.5676763886750134
Energy: 0.5686649035978041
Energy: 0.5477097535341429
Energy: 0.5615179544527108
Energy: 0.569804682202597
Energy: 0.6934151590247218
Energy: 0.5587740090741959
Energy: 0.5660674455214446
Energy: 0.5598459216475333
Energy: 0.556121071434793
Energy: 0.5673719041072174
Energy: 0.7646521748155451
Energy: 0.5611626225106972
Energy: 0.529685014501477
Energy: 0.5301371647948573
Energy: 0.5606178119500924
Energy: 0.5299323276830891
Energy: 0.7183587854503728
Energy: 0.5535883139679303
Energy: 0.5537730657118207
Energy: 0.5500272870604239
Energy: 0.5536850519799603
Energy: 0.5537897899109806
Energy: 0.7190777026249391
Energy: 0.5557306280943934
Energy: 0.5537106106148799
Energy: 0.5653507561651935
Energy: 0.5550016241108422
Energy: 0.5537073821091879
Energy: 0.7234352289100631
Energy: 0.6299653424886228
Energy: 0.5541845922806059
Energy: 0.5549577370028665
Energy: 0.6003473186691417
Energy: 0.5623935686468323
Energy: 0.6787078923402255
Energy: 0.554660839162779
Energy: 0.5541227817772928
Energy: 0.5710322808766974
Energy: 0.5560498881221367
Energy: 0.554091381728139
Energy: 0.7249223639003025
Energy: 0.5673091428815771
Energy: 0.5694016850503907
Energy: 0.5677210133484157
Energy: 0.5666256626979481
Energy: 0.5699266213797347
Energy: 0.7263930231546304
Energy: 0.5706996672088854
Energy: 0.5670670310996523
Energy: 0.5617994133713226
Energy: 0.5727729965157463
Energy: 0.5673540455531882
Energy: 0.6794708735565372
Energy: 0.560711010864024
Energy: 0.5585837862360897
Energy: 0.5784214842283993
Energy: 0.5602158972667058
Energy: 0.5690923101449152
Energy: 0.6156416252496945
Energy: 0.5607239058153659
Energy: 0.5600030780517979
Energy: 0.5689109748707541
Energy: 0.5389521820806307
Energy: 0.5698852378254656
Energy: 0.6116080359097917
Energy: 0.5657142121193733
Energy: 0.5663367972671812
Energy: 0.5657305285392352
Energy: 0.5558502679654899
Energy: 0.5662544470312751
Energy: 0.6135421725128953
Energy: 0.5296244537231308
Energy: 0.5296148906844697
Energy: 0.5573118815472534
Energy: 0.5302314271686087
Energy: 0.5306358384327462
Energy: 0.558286910262554
Energy: 0.5297534707588266
Energy: 0.5295842711943641
Energy: 0.5572896349204983
Energy: 0.5436550823773089
Energy: 0.5527223138591929
Energy: 0.5544145621071658
Energy: 0.5656778873357409
Energy: 0.5531008517493561
Energy: 0.5544599591019799
Energy: 0.5644215236636972
Energy: 0.5524830267076827
Energy: 0.5586313206992362
Energy: 0.5532824146420801
Energy: 0.5534198965133541
Energy: 0.5580678120378291
Energy: 0.553563424179301
Energy: 0.5547811301819027
Energy: 0.6113200002774859
Energy: 0.560473224658218
Energy: 0.5531088618653991
Energy: 0.5546795545168145
Energy: 0.5687756378903507
Energy: 0.5532079164524817
Energy: 0.6077775673395593
Energy: 0.569792574334768
Energy: 0.5693331283942136
Energy: 0.5695174375170701
Energy: 0.5673323916095021
Energy: 0.56933800448548
Energy: 0.6087410171322613
Energy: 0.5753931695547453
Energy: 0.5689531693513735
Energy: 0.5577687804105409
Energy: 0.5643096134542579
Energy: 0.5742574328987899
Energy: 0.6622832223373226
Energy: 0.5691109732375944
Energy: 0.5710922294287955
Energy: 0.5379680470076161
Energy: 0.5702455178068432
Energy: 0.5688571219568621
Energy: 0.6638869332912828
Energy: 0.5760556024560984
Energy: 0.5494175182819782
Energy: 0.5518507222798988
Energy: 0.5551380198548965
Energy: 0.558887754233835
Energy: 0.6810234638409443
Energy: 0.5586379660010707
Energy: 0.5493577012165951
Energy: 0.5536041526996698
Energy: 0.548308466095697
Energy: 0.5683253214947768
Energy: 0.7863091556316
Energy: 0.5372886026891176
Energy: 0.5305571386319532
Energy: 0.5303296439578248
Energy: 0.5371526321243062
Energy: 0.5411558530725136

minimum gb energy = 0.5293238449940577 eV
minimum distance =  2.53283920200604 Angstroms
sigma value = 51


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

Energy: 0.8952420435599522
Energy: 0.5930382612481468
Energy: 0.5989006998314156
Energy: 0.7080257141071776
Energy: 0.5794793128731198
Energy: 0.575972531858286
Energy: 0.6428985958014474
Energy: 0.5488889452163168
Energy: 0.5493509799418392
Energy: 0.5182619191414152
Energy: 0.549296348458365
Energy: 0.5489852619899052
Energy: 0.6745353993215449
Energy: 0.5488103781257251
Energy: 0.5487886653380069
Energy: 0.5455229327330274
Energy: 0.5493088016819412
Energy: 0.5491685600128685
Energy: 0.7169053410105581
Energy: 0.5512187898550472
Energy: 0.5337318582229245
Energy: 0.5364629351566904
Energy: 0.602466208827217
Energy: 0.5383325234877816
Energy: 0.642755244445854
Energy: 0.5494089243058897
Energy: 0.5498499821312546
Energy: 0.540167209466497
Energy: 0.5517700235534188
Energy: 0.5611523354802841
Energy: 0.6460309674041905
Energy: 0.5463077098512318
Energy: 0.5510445188069754
Energy: 0.541051883633788
Energy: 0.5457405998239422
Energy: 0.5536205790134491
Energy: 0.6502275171520912
Energy: 0.5554371485064592
Energy: 0.5540593601406985
Energy: 0.5404327598541271
Energy: 0.552804755411213
Energy: 0.5619231464367029
Energy: 0.6219753192128006
Energy: 0.5236081910597774
Energy: 0.5239106372472209
Energy: 0.5826697963973696
Energy: 0.5407885269011052
Energy: 0.5236699927268784
Energy: 0.5518172980567747
Energy: 0.562284871419612
Energy: 0.5619556001751823
Energy: 0.5514977293306348
Energy: 0.5491667056170143
Energy: 0.5490542422594563
Energy: 0.5503674110944792
Energy: 0.5495797987006358
Energy: 0.5492919830414564
Energy: 0.5504274643314908
Energy: 0.5316634792541086
Energy: 0.5489990733384549
Energy: 0.5516073383367818
Energy: 0.5513032152585013
Energy: 0.5504744593184125
Energy: 0.5518912992944993
Energy: 0.5325688366016313
Energy: 0.5509739787593975
Energy: 0.589360139097263
Energy: 0.5499515076473708
Energy: 0.5493936270955166
Energy: 0.5495735508992078
Energy: 0.5527478698518474
Energy: 0.5492392342984149
Energy: 0.5816903133686926
Energy: 0.5487613254999996
Energy: 0.5751679712573836
Energy: 0.5658361666466476
Energy: 0.5663033264253589
Energy: 0.5544910884147972
Energy: 0.5807732090547367
Energy: 0.5369736138702141
Energy: 0.5370115236329578
Energy: 0.5500349045381532
Energy: 0.536990394768983
Energy: 0.5548725464097126
Energy: 0.6833794139499798
Energy: 0.5560006549694818
Energy: 0.5751034943803127
Energy: 0.5716502756482259
Energy: 0.555421478509394
Energy: 0.549131988452901
Energy: 0.6794008784284158
Energy: 0.5446974075816579
Energy: 0.5544294744926634
Energy: 0.5470883031811709
Energy: 0.5536920465374894
Energy: 0.5472694491082497
Energy: 0.6786770489145124
Energy: 0.554169379270139
Energy: 0.5536436417670683
Energy: 0.5650398354403633
Energy: 0.5673155990124629
Energy: 0.553874723234976
Energy: 0.7523725826584926
Energy: 0.549085156792467
Energy: 0.5397784370545969
Energy: 0.5585314524148055
Energy: 0.5492820563289333
Energy: 0.539247265744119

minimum gb energy = 0.5182619191414152 eV
minimum distance =  2.6447374302519 Angstroms
sigma value = 19


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

Energy: 0.749898621049198
Energy: 0.5115706003610531
Energy: 0.5219538597244131
Energy: 0.6201858140294058
Energy: 0.5116688571273581
Energy: 0.6225729488856853
Energy: 0.6295789752016191
Energy: 0.511115018924362
Energy: 0.5122790993023205
Energy: 0.5047747546909572
Energy: 0.5115039182577802
Energy: 0.5118238174381148
Energy: 0.5924776338176576
Energy: 0.5119880311236435
Energy: 0.5122905793263957
Energy: 0.5255047282156113
Energy: 0.5116836408753395
Energy: 0.5718426470343858
Energy: 0.6273736547072651
Energy: 0.5116873942086575
Energy: 0.5121775918888075
Energy: 0.5240127457504611
Energy: 0.5532147753114575
Energy: 0.5126191259436627
Energy: 0.5525502076541949
Energy: 0.5114126974996377
Energy: 0.5116118646214239
Energy: 0.504727624674456
Energy: 0.5116675282455739
Energy: 0.5114375529979905
Energy: 0.5924263636772301
Energy: 0.50120613604178
Energy: 0.5257999963684539
Energy: 0.525350064840971
Energy: 0.501108834125876
Energy: 0.5249937500470139
Energy: 0.5920715825359077
Energy: 0.5258640718307701
Energy: 0.5254566862554744
Energy: 0.5116835216639931
Energy: 0.5048551226555598
Energy: 0.51158844166982
Energy: 0.5521836390528673
Energy: 0.4649817865267828
Energy: 0.5013951743689897
Energy: 0.5525053374134724
Energy: 0.46510385789058184
Energy: 0.5014622757258776
Energy: 0.5112512632599916
Energy: 0.5199644887463465
Energy: 0.5216838117555082
Energy: 0.5110279457473835
Energy: 0.5010360877216187
Energy: 0.5198369432365013
Energy: 0.5127193529192284
Energy: 0.5263558795680323
Energy: 0.5115329723129141
Energy: 0.5116416626742993
Energy: 0.5042549737649202
Energy: 0.5112948840970966
Energy: 0.5105515439057717
Energy: 0.5669788130877262
Energy: 0.5676070243063729
Energy: 0.5107652417436953
Energy: 0.5681682707131096
Energy: 0.5122755074787577
Energy: 0.6285558533875768
Energy: 0.5249091361929104
Energy: 0.5261935493373175
Energy: 0.5118024298319487
Energy: 0.5255865629032507
Energy: 0.5112621700161192
Energy: 0.5006802673814046
Energy: 0.5111703283844259
Energy: 0.5261650908747684
Energy: 0.5023139755402918
Energy: 0.5120818583959973
Energy: 0.5251170944880974
Energy: 0.6291684505795868
Energy: 0.5255561153367085
Energy: 0.5264782267001117
Energy: 0.5119897742676085
Energy: 0.5701640470414484
Energy: 0.5255035650368096
Energy: 0.7422952361870494
Energy: 0.5122686890722824
Energy: 0.5119250331637577
Energy: 0.5008621698668416
Energy: 0.5115465117745359
Energy: 0.5213448302568073
Energy: 0.6804563754675417
Energy: 0.5113311447812907
Energy: 0.5016372447249867
Energy: 0.4847252144815255
Energy: 0.5108967063676023
Energy: 0.5017519126182745
Energy: 0.6285329441585774
Energy: 0.5111952534543817
Energy: 0.5118678841833223
Energy: 0.505097497082144
Energy: 0.511901492778179
Energy: 0.5115505275283947
Energy: 0.6304651009166851
Energy: 0.5116574216710026
Energy: 0.5120278065243483
Energy: 0.5073126359921436
Energy: 0.5111145770841339
Energy: 0.5122723148921394
Energy: 0.6275705533374517
Energy: 0.5118844383079426
Energy: 0.5255350163871505
Energy: 0.5073179832976259
Energy: 0.5114416677971523
Energy: 0.5249572668771373
Energy: 0.6288240623497131
Energy: 0.5011103632172397
Energy: 0.5112253652172248
Energy: 0.5119235077661393
Energy: 0.5010008071612062
Energy: 0.5252333007314217
Energy: 0.627772518299171
Energy: 0.5115233468829803
Energy: 0.5117156767765852
Energy: 0.5687773883843026
Energy: 0.5116406654562348
Energy: 0.5253765153476508
Energy: 0.6288076322535583
Energy: 0.5252182498480339
Energy: 0.5266884040436691
Energy: 0.5116955321308264
Energy: 0.5258497546743304
Energy: 0.5112765376152236
Energy: 0.5544264056917841
Energy: 0.5012096141157063
Energy: 0.5007907254132907
Energy: 0.554500847180177
Energy: 0.5015221113272325
Energy: 0.5226488081133732
Energy: 0.5113669815248391
Energy: 0.526791358069309
Energy: 0.5118278518845772
Energy: 0.511400348117275
Energy: 0.5007405290075797
Energy: 0.5111129390479532
Energy: 0.5114687289815008
Energy: 0.5250412352114799
Energy: 0.5256471656054129
Energy: 0.5115943738042112
Energy: 0.5257718500764567
Energy: 0.51159540208864
Energy: 0.5533133787436193
Energy: 0.5246415834942184
Energy: 0.5248902197766336
Energy: 0.5537921219831347
Energy: 0.5690911012315296
Energy: 0.5122026488030391
Energy: 0.5918896066753268
Energy: 0.5261511600424535
Energy: 0.5708927176486276
Energy: 0.5115373263461965
Energy: 0.504448630275241
Energy: 0.511520554536042
Energy: 0.5007810862878442
Energy: 0.509212119509178
Energy: 0.5256127795942142
Energy: 0.5008822421236923
Energy: 0.5254169878595897
Energy: 0.5250830173518766
Energy: 0.5516927361172486
Energy: 0.51120282407918
Energy: 0.5262311422620174
Energy: 0.512056856437146
Energy: 0.5116014053241502
Energy: 0.525380544119904
Energy: 0.6822069310016795
Energy: 0.5113749383258036
Energy: 0.5012559170600935
Energy: 0.464973433707179
Energy: 0.5525467954213561
Energy: 0.5011622416637713

minimum gb energy = 0.464973433707179 eV
minimum distance =  2.70258767722149 Angstroms
sigma value = 27


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

Energy: 0.640761630856242
Energy: 0.5295214408354647
Energy: 0.5925786685186059
Energy: 0.5742350476234921
Energy: 0.6850404906349367
Energy: 0.5933676127085638
Energy: 0.6057672720020192
Energy: 0.5296004621105995
Energy: 0.5296141558907499
Energy: 0.5366425564511942
Energy: 0.5294726276077891
Energy: 0.5297698988570435
Energy: 0.5736097104950716
Energy: 0.5306466198600188
Energy: 0.5287785698849425
Energy: 0.5086621286571862
Energy: 0.5314119934989997
Energy: 0.528995405867794
Energy: 0.5758626327273486
Energy: 0.5539223613102492
Energy: 0.5295841430828654
Energy: 0.5114175389431508
Energy: 0.6219322622266555
Energy: 0.506661673005407
Energy: 0.607090902061888
Energy: 0.5564646634678195
Energy: 0.5070435908230714
Energy: 0.5557049681007227
Energy: 0.5532843032370656
Energy: 0.490866055330832
Energy: 0.5303319534437312
Energy: 0.5573305664272686
Energy: 0.556117657004916
Energy: 0.5303550884392353
Energy: 0.5523840514039609
Energy: 0.4793922047160445
Energy: 0.5303889871140484
Energy: 0.5134970952690091
Energy: 0.5116609255675999
Energy: 0.5310433923111386
Energy: 0.5241563442736442
Energy: 0.5289762423581554
Energy: 0.5313501867323911
Energy: 0.5052943406614249
Energy: 0.5052859117093234
Energy: 0.5313972864318087
Energy: 0.5050170419537636
Energy: 0.5282067901172017
Energy: 0.5732804620904899
Energy: 0.5707452959159953
Energy: 0.518578121729656
Energy: 0.5296665543772848
Energy: 0.5042991351449041
Energy: 0.5108709208259039
Energy: 0.5753883315036963
Energy: 0.5120310227345246
Energy: 0.5194413115995955
Energy: 0.5351679792984196
Energy: 0.5304215594744474
Energy: 0.49681593121493356
Energy: 0.5732079236702758
Energy: 0.5413290468415876
Energy: 0.5426550470177978
Energy: 0.5312143922644984
Energy: 0.5405677623862035
Energy: 0.5421934161533211
Energy: 0.5353078794238999
Energy: 0.5302218181832473
Energy: 0.5301375772313918
Energy: 0.5229327234690189
Energy: 0.5299461711742715
Energy: 0.5308348052763177

minimum gb energy = 0.4793922047160445 eV
minimum distance =  2.62948219247276 Angstroms
sigma value = 9


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

Energy: 0.955720603747579
Energy: 0.957775975690109
Energy: 0.5300496206630719
Energy: 0.5723293143792149
Energy: 1.008520648122943
Energy: 0.5722922008577579
Energy: 0.49728876846868036
Energy: 0.4891063807604982
Energy: 0.4893962496867744
Energy: 0.5123750907163502
Energy: 0.48909200060152713
Energy: 0.4897328462766276
Energy: 0.49791561403365187
Energy: 0.4786605126797166
Energy: 0.4786436825238576
Energy: 0.4646151277079369
Energy: 0.4803342838083302
Energy: 0.4786288113027009
Energy: 0.5005955099813933
Energy: 0.4911207613982382
Energy: 0.49284710611505045
Energy: 0.4646239088577088
Energy: 0.5327607904645928
Energy: 0.4954568147628926
Energy: 0.5522657239159862
Energy: 0.5527538478223503
Energy: 0.5184439379572782
Energy: 0.552270329720336
Energy: 0.5153383979989241
Energy: 0.5256898571081687
Energy: 0.5079000414221247
Energy: 0.5777082832032348
Energy: 0.5228543473274618
Energy: 0.5078986002514754
Energy: 0.5813663667162927
Energy: 0.5127253523665549
Energy: 0.5157660167884646
Energy: 0.5054707681294115
Energy: 0.5174356933742008
Energy: 0.5165921011300985
Energy: 0.4921231420770715
Energy: 0.5165082968394262
Energy: 0.4995069877529893
Energy: 0.5372086927246204
Energy: 0.5026485494941336
Energy: 0.4994869969154092
Energy: 0.5386673748901022
Energy: 0.4995035327893745
Energy: 0.5285845590089917
Energy: 0.5175363009320716
Energy: 0.5404157728074844
Energy: 0.5402299296604093
Energy: 0.509047929833523
Energy: 0.4848498771302891
Energy: 0.4624299105286571
Energy: 0.5114687455381095
Energy: 0.5012343591619286
Energy: 0.42761886383051695
Energy: 0.5288095725561681
Energy: 0.4762566196476292
Energy: 0.4671560974480562
Energy: 0.498987033236169
Energy: 0.4988995975059095
Energy: 0.42739595165768374
Energy: 0.4993367351668704
Energy: 0.4988157405791164
Energy: 0.5501682766609388
Energy: 0.5082248640588888
Energy: 0.5081582043218436
Energy: 0.5094288671697734
Energy: 0.5091484640378134
Energy: 0.5079970400380234
Energy: 0.8434759408277029
Energy: 0.49180723409419513
Energy: 0.6040018574978028
Energy: 0.5518185768418039
Energy: 0.49186617719584813
Energy: 0.5515380411721397
Energy: 0.5314465056075951
Energy: 0.5004388293195269
Energy: 0.5006371193319418
Energy: 0.5183262397281935
Energy: 0.5005312808310058
Energy: 0.5044733267136434
Energy: 0.4804052565395262
Energy: 0.5011143925650131
Energy: 0.49996802094248927
Energy: 0.48033484617579875
Energy: 0.5004833152672934
Energy: 0.5047332881893255
Energy: 0.48017509892861665
Energy: 0.5101606119745354
Energy: 0.47882280951583434
Energy: 0.4794567040590266
Energy: 0.4943923975077515
Energy: 0.4787246081242409
Energy: 0.4892264145712049
Energy: 0.567508451785146
Energy: 0.5011194708920474
Energy: 0.49116465366187245
Energy: 0.498084866592465
Energy: 0.4887033767816923
Energy: 0.5433958446869864
Energy: 0.5007165014686894
Energy: 0.5200961526176732
Energy: 0.543426235663289
Energy: 0.5003565032033817
Energy: 0.5200416222705183
Energy: 0.4981845757275083
Energy: 0.49576250652841486
Energy: 0.45919267421971777
Energy: 0.480849272679976
Energy: 0.49289237309790646
Energy: 0.47890400685380496
Energy: 0.5000775377922778
Energy: 0.4798821482664977
Energy: 0.47915133070064925
Energy: 0.47939614745825493
Energy: 0.47982331004530104
Energy: 0.4788596754859513
Energy: 0.49753934391901894
Energy: 0.480696523420404
Energy: 0.4791417578326399
Energy: 0.4800362760999659
Energy: 0.48078470113045185
Energy: 0.4852187711623822
Energy: 0.4950619757685106
Energy: 0.48899560984417206
Energy: 0.5126192061027767
Energy: 0.4925941575293029
Energy: 0.5435620035707835
Energy: 0.5132201781171906
Energy: 0.5984457201945789
Energy: 0.48928687769600376
Energy: 0.48878817562794874
Energy: 0.5116172266844378
Energy: 0.48943501759168107
Energy: 0.5055111697987932
Energy: 0.497877554620312
Energy: 0.47838683135871546
Energy: 0.4785281522638906
Energy: 0.501049230049373
Energy: 0.4817795734267728
Energy: 0.4787039211854265
Energy: 0.6331117805516502
Energy: 0.4793572311630124
Energy: 0.4782648783576757
Energy: 0.5560882135411924
Energy: 0.4788759171124439
Energy: 0.5554876859355701
Energy: 0.5448701840809049
Energy: 0.4812082353186049
Energy: 0.4774770076114625
Energy: 0.49994900720880653
Energy: 0.5192472129728414
Energy: 0.503099377639255
Energy: 0.5543449850945401
Energy: 0.6060366716767353
Energy: 0.6058830665594533
Energy: 0.5544111346747393
Energy: 0.6054940636227966
Energy: 0.5122579790441374
Energy: 0.5093579925040987
Energy: 0.5043153196589785
Energy: 0.5077525732763495
Energy: 0.5101554267852003
Energy: 0.49170973009519675
Energy: 0.5097306558012431
Energy: 0.5001661684536771
Energy: 0.51668267341261
Energy: 0.5054191108021147
Energy: 0.5006227186922402
Energy: 0.5043457641106596
Energy: 0.49969850411027156
Energy: 0.5295255994076264
Energy: 0.536777204408321
Energy: 0.5024374228157604
Energy: 0.5293960789223305
Energy: 0.538394934087618
Energy: 0.5015436142911305
Energy: 0.4592230335244699
Energy: 0.4854551393695283
Energy: 0.48575790296705046
Energy: 0.5024525947798325
Energy: 0.4940933493532149
Energy: 0.526141807171343
Energy: 0.7307523690185145
Energy: 0.4990567406681832
Energy: 0.4991131103763806
Energy: 0.48027632253621394
Energy: 0.4989500955592503
Energy: 0.47627782107985733
Energy: 0.5712377266390041
Energy: 0.5100518469653557
Energy: 0.5096799495884043
Energy: 0.49133972606838516
Energy: 0.5103658332640171
Energy: 0.509467804919296
Energy: 0.4805279185762316
Energy: 0.5083964752437219
Energy: 0.5082550755979554
Energy: 0.4861507341961447
Energy: 0.5086616769634995
Energy: 0.5008339033258769
Energy: 0.5335094295668688
Energy: 0.4987049762808446
Energy: 0.49823941274267153
Energy: 0.5181735794461273
Energy: 0.49982893552948066
Energy: 0.5431725316051539
Energy: 0.5328321047433093
Energy: 0.49594497100265084
Energy: 0.496453044959038
Energy: 0.5330135843522105
Energy: 0.49633587732240214
Energy: 0.49375290548867024
Energy: 0.47917760894804456
Energy: 0.4781449056094387
Energy: 0.4682206071654776
Energy: 0.4799297980602645
Energy: 0.4649630897126695
Energy: 0.4787766609998061
Energy: 0.48914230073269716
Energy: 0.5128995363666778
Energy: 0.49004467051268225
Energy: 0.4892086863203288
Energy: 0.504574978433556
Energy: 0.4894737686405867
Energy: 0.48912663257851435
Energy: 0.5497313217364633
Energy: 0.550644838086647
Energy: 0.4891042380458277
Energy: 0.5496186482373963
Energy: 0.5466594578140959
Energy: 0.5456552142781612
Energy: 0.479316812866218
Energy: 0.4780523985230212
Energy: 0.48902634618175966
Energy: 0.5086149003196486
Energy: 0.4883657493463393
Energy: 0.49831818784833526
Energy: 0.47939458770758164
Energy: 0.49589071165989074
Energy: 0.4812560247367506
Energy: 0.4791526826634941
Energy: 0.4793586428713346
Energy: 0.4972680949275201
Energy: 0.48060615442147275
Energy: 0.4797354831241055
Energy: 0.4806767727452219
Energy: 0.47998155368818923
Energy: 0.4844649672784713
Energy: 0.5989848106845808
Energy: 0.4912669321666597
Energy: 0.48903603386493144
Energy: 0.5234806001674864
Energy: 0.4892278753243071
Energy: 0.5402719570626222

minimum gb energy = 0.42739595165768374 eV
minimum distance =  2.57618885390808 Angstroms
sigma value = 57


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

Energy: 0.2762685569575311
Energy: 0.29661695414277855
Energy: 0.28187258339701265
Energy: 0.27781959411254625
Energy: 0.2965797415270458
Energy: 0.2765746529469573
Energy: 0.32181885943414856
Energy: 0.282730667003772
Energy: 0.2824007104977546
Energy: 0.2976048063760054
Energy: 0.2984824171331528
Energy: 0.2825569870289781
Energy: 0.3204120493888186
Energy: 0.29660099033657966
Energy: 0.2968950653958281
Energy: 0.29844417146130353
Energy: 0.2963839769414651
Energy: 0.2968172594668247
Energy: 0.3205846365328838
Energy: 0.2965403673080437
Energy: 0.29643673074474863
Energy: 0.298855567309208
Energy: 0.3208958349217297
Energy: 0.2965699401033729
Energy: 0.32071417295670296
Energy: 0.27672373295503017
Energy: 0.2929057952658839
Energy: 0.3213914719679247
Energy: 0.2765025889839488
Energy: 0.3021840566352069
Energy: 0.2963873563057681
Energy: 0.2764440776047355
Energy: 0.2768228731528109
Energy: 0.2833526079778055
Energy: 0.27647852467838685
Energy: 0.29140270516555683
Energy: 0.296538007358789
Energy: 0.2827069237051741
Energy: 0.2827977824592206
Energy: 0.29690584974669937
Energy: 0.2967637286617327
Energy: 0.28283474360730404
Energy: 0.2962706968571739
Energy: 0.3204993516405276
Energy: 0.3211378616566177
Energy: 0.29634547732517214
Energy: 0.32060270687320624
Energy: 0.2966334330747789
Energy: 0.32042837296724835
Energy: 0.30244565423426945
Energy: 0.3034420145801848
Energy: 0.32134256037017234
Energy: 0.2979274471610346
Energy: 0.29678407891957564
Energy: 0.2763635045434638
Energy: 0.2966956327366777
Energy: 0.29215645163037635
Energy: 0.2763994878780711
Energy: 0.2979408241599868
Energy: 0.2920223237589675
Energy: 0.27644212882121255
Energy: 0.2822545035286624
Energy: 0.2824236542135431
Energy: 0.27647245297658896
Energy: 0.28365429082335913
Energy: 0.2939901370569479
Energy: 0.32215153425459403
Energy: 0.29705565252016114
Energy: 0.3019202818162932
Energy: 0.32192115886061307
Energy: 0.2973690458751783
Energy: 0.30218841966345533
Energy: 0.3197876723981176
Energy: 0.3202224572951055
Energy: 0.32037445202718834
Energy: 0.3203292040647975
Energy: 0.319974808270479
Energy: 0.3203891002300445
Energy: 0.32103153266206413
Energy: 0.29684948716170856
Energy: 0.3029794537195937
Energy: 0.3215948224711507
Energy: 0.2983152621781913
Energy: 0.30414451187163066
Energy: 0.3202914626637645
Energy: 0.2764571336735675
Energy: 0.27654669450714253
Energy: 0.29901512165717076
Energy: 0.279475965941085
Energy: 0.2775298840792165
Energy: 0.29880301201133813
Energy: 0.29714670525872783
Energy: 0.2826362747233506
Energy: 0.2988685941440238
Energy: 0.27653783913081037
Energy: 0.2822201760190737
Energy: 0.29645747597220684
Energy: 0.3042334602376039
Energy: 0.2993586246403345
Energy: 0.2964997550731352
Energy: 0.2983990615586317
Energy: 0.29702862333068497
Energy: 0.32166742360352485
Energy: 0.3207634881658265
Energy: 0.29661629973034215
Energy: 0.3202808613848544
Energy: 0.2982471599331108
Energy: 0.29652747378904204
Energy: 0.27651056867679014
Energy: 0.282657608016188
Energy: 0.28281241691176884
Energy: 0.27654276648581144
Energy: 0.3216718308142431
Energy: 0.30270896300949196

minimum gb energy = 0.2762685569575311 eV
minimum distance =  2.71328111342117 Angstroms
sigma value = 11


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

Energy: 0.7939494829068481
Energy: 0.5699696577943605
Energy: 0.5187833712589646
Energy: 0.5703112717936362
Energy: 0.574140138995198
Energy: 0.7384448924157093
Energy: 0.44738408468928287
Energy: 0.4408978118973614
Energy: 0.45122503739257047
Energy: 0.4401816891474538
Energy: 0.448176018077959
Energy: 0.43831241778228786
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Energy: 0.44433243130462713
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Energy: 0.4524489449419754
Energy: 0.4420889422465717
Energy: 0.44643866438010593
Energy: 0.4561734342846253
Energy: 0.4680662798842305
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Energy: 0.4494748634872519
Energy: 0.4476454067271331
Energy: 0.45021730359494627
Energy: 0.43380119887186486
Energy: 0.4477863525255104
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Energy: 0.452053865676868
Energy: 0.5439474283745674
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Energy: 0.4755986243298728
Energy: 0.5505706314775616
Energy: 0.5070007811171717
Energy: 0.47572646899959947
Energy: 0.5504929357568045
Energy: 0.4758359631133797
Energy: 0.6298843889590955
Energy: 0.480234749528232
Energy: 0.42871200373970564
Energy: 0.5090150424974625
Energy: 0.4783371234290173
Energy: 0.4274349323838636
Energy: 0.5979668131417071
Energy: 0.5726761466323187
Energy: 0.5195405280047293
Energy: 0.5369325144895144
Energy: 0.6031478286718623
Energy: 0.4850606618094031
Energy: 0.5258698692194058
Energy: 0.47018628216485125
Energy: 0.44058248416615114
Energy: 0.4701079052784597
Energy: 0.4757505618035687
Energy: 0.42005758861250037
Energy: 0.5157263537819915
Energy: 0.469576402137126
Energy: 0.4368526033116244
Energy: 0.45030950811967513
Energy: 0.478374664298861
Energy: 0.46244364960150514
Energy: 0.5316716965461413
Energy: 0.5552298543204988
Energy: 0.51534499838663
Energy: 0.5037175408156952
Energy: 0.5175499246726449
Energy: 0.514895493425886
Energy: 0.6299089216002377
Energy: 0.47692230964665655
Energy: 0.4287167688364403
Energy: 0.4494532303275212
Energy: 0.48245180683752514
Energy: 0.4300885046591494
Energy: 0.4493127650711604
Energy: 0.5560150400872983
Energy: 0.5192914886734827
Energy: 0.44869461982483955
Energy: 0.555948845419947
Energy: 0.5030392177147588
Energy: 0.4559100089756608
Energy: 0.4342909380576844
Energy: 0.42838165309107534
Energy: 0.4561159312295382
Energy: 0.43466888400527215
Energy: 0.4470907725760618
Energy: 0.44810842817300506
Energy: 0.44436860686631996
Energy: 0.44379200128620644
Energy: 0.4484622216194326
Energy: 0.44378738123470485
Energy: 0.44476371988301544
Energy: 0.4673781037197685
Energy: 0.4433596744344172
Energy: 0.44242444010360454
Energy: 0.4501949935733637
Energy: 0.4480700850086181
Energy: 0.4637925390953361
Energy: 0.6203905622043288
Energy: 0.4557845216495378
Energy: 0.45115699877581616
Energy: 0.4840729236014788
Energy: 0.4479575343911696
Energy: 0.4288418719313172

minimum gb energy = 0.42005758861250037 eV
minimum distance =  2.59784658535046 Angstroms
sigma value = 41


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

Energy: 0.7242808912384889
Energy: 0.5565723710350974
Energy: 0.5392164624737655
Energy: 0.5369451303207432
Energy: 0.5474129188826543
Energy: 0.5514448707435257
Energy: 0.4797903546828469
Energy: 0.46974840848972654
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Energy: 0.48054526866122393
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Energy: 0.4730768748466203
Energy: 0.4473840454521264
Energy: 0.5463333255173399
Energy: 0.5011666240734627
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Energy: 0.45723219052238795
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Energy: 0.4803654304523551
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Energy: 0.4876979088074316
Energy: 0.4412641777515613
Energy: 0.5437952014723657
Energy: 0.47469195590043556
Energy: 0.4568013679012074
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Energy: 0.4751901442025515
Energy: 0.45011735512505335
Energy: 0.5439492837557438
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Energy: 0.4387462780500521
Energy: 0.4291939551503722
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Energy: 0.4291910624217421
Energy: 0.4815491720638581
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Energy: 0.47002503853744376
Energy: 0.4689619156240561
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Energy: 0.48258560879847673
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Energy: 0.45376820064029955
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Energy: 0.46899673019071675
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Energy: 0.4815257961002674
Energy: 0.45617940030640036
Energy: 0.4566102012940141
Energy: 0.48154460762494755
Energy: 0.4751903309190623
Energy: 0.447142405446502
Energy: 0.6025483496700188
Energy: 0.5770025948267083
Energy: 0.5002025522471027
Energy: 0.5613291882692062
Energy: 0.5760688228392619
Energy: 0.5010993272673097
Energy: 0.5451536351069531
Energy: 0.4571570506189781
Energy: 0.45676345803193963
Energy: 0.48131006653787495
Energy: 0.47752653150430335
Energy: 0.45531936295020214
Energy: 0.5188860765990749
Energy: 0.5009245893555172
Energy: 0.4919588000521386
Energy: 0.5112911708615614
Energy: 0.5015040154995287
Energy: 0.4412218996726833
Energy: 0.5432351293422096
Energy: 0.4748471411614768
Energy: 0.4555232423154671
Energy: 0.4698595023074478
Energy: 0.4741831617025701
Energy: 0.4453213511870509
Energy: 0.5443556903102557
Energy: 0.479705797638124
Energy: 0.46734863012735073
Energy: 0.4799545359373414
Energy: 0.4749852479626956
Energy: 0.4509522539746512
Energy: 0.6150844158173372
Energy: 0.47494085250029017
Energy: 0.4658740792457041
Energy: 0.5366627165211062
Energy: 0.6354566228690625
Energy: 0.4458240250273625
Energy: 0.6123846176811482
Energy: 0.43853314349627476
Energy: 0.4622575768321505
Energy: 0.4908463078631205
Energy: 0.44556963391289844
Energy: 0.4502721224072588
Energy: 0.48701638371275696
Energy: 0.5314675894644175
Energy: 0.521671601211948
Energy: 0.48704767814866357
Energy: 0.5314304856446178
Energy: 0.5214869814143713
Energy: 0.47542141789790215
Energy: 0.450424102897877
Energy: 0.4499834061984777
Energy: 0.4739652672985094
Energy: 0.46593142708406393
Energy: 0.4502238760212756
Energy: 0.4777823199529797
Energy: 0.48153439977292695
Energy: 0.47369336112993427
Energy: 0.4779395739638595
Energy: 0.48100930323179086
Energy: 0.47892016529561415
Energy: 0.480152951777222
Energy: 0.47025053843305814
Energy: 0.44636514179387987
Energy: 0.4801395627412735
Energy: 0.48057290786152856
Energy: 0.4562170214428952
Energy: 0.7125006102936637
Energy: 0.4855579281732638
Energy: 0.42930223258541417
Energy: 0.44726094057288285
Energy: 0.48185860656625296
Energy: 0.43056468926784525

minimum gb energy = 0.4291910624217421 eV
minimum distance =  2.60540088684748 Angstroms
sigma value = 33


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

Energy: 0.6040324096771003
Energy: 0.6085789927171443
Energy: 0.5360256107691643
Energy: 0.5885930811955385
Energy: 0.6048861230875844
Energy: 0.5329852258885465
Energy: 0.5385265349588365
Energy: 0.4825186546687691
Energy: 0.4845982058223847
Energy: 0.482950834870996
Energy: 0.5034660665373928
Energy: 0.49349951480215026
Energy: 0.5371513965862725
Energy: 0.4939094051922647
Energy: 0.49197701151451495
Energy: 0.5412959439675742
Energy: 0.49250535121986727
Energy: 0.493901019789127
Energy: 0.5358948959447214
Energy: 0.4823033914451738
Energy: 0.49682004838075033
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Energy: 0.498909224699849
Energy: 0.4936425855213678
Energy: 0.5364833499480834
Energy: 0.47966540576094246
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Energy: 0.4836040004662904
Energy: 0.4950552425556624
Energy: 0.6007773024159991
Energy: 0.47554659706110974
Energy: 0.47850853938769256
Energy: 0.5822206599971302
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Energy: 0.5355596482485736
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Energy: 0.6252451492621799
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Energy: 0.584283394103129
Energy: 0.45774468708629384
Energy: 0.5037013693979537
Energy: 0.5860803496715317
Energy: 0.4725615952604507

minimum gb energy = 0.4572366609439427 eV
minimum distance =  2.62197164539595 Angstroms
sigma value = 67


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

Energy: 0.6506631098901839
Energy: 0.6997492576646347
Energy: 0.42442940199663054
Energy: 0.6527102137203017
Energy: 0.6979721108659862
Energy: 0.42116537210564825
Energy: 0.5490161002871828
Energy: 0.4027227081605233
Energy: 0.4014995004574486
Energy: 0.4005530880193789
Energy: 0.40115957552589704
Energy: 0.4013586843699696
Energy: 0.5303926959550758
Energy: 0.38502207878933725
Energy: 0.40105790996015067
Energy: 0.5294427528335396
Energy: 0.38502321408581913
Energy: 0.4008529953795813
Energy: 0.5016421634623895
Energy: 0.40114588222071007
Energy: 0.4010174157473955
Energy: 0.5019962744358196
Energy: 0.40098818001195885
Energy: 0.40088470744207355
Energy: 0.5017939311719275
Energy: 0.4009439105772937
Energy: 0.4010796774165385
Energy: 0.5017491856670012
Energy: 0.40093584613291944
Energy: 0.40100180538870067
Energy: 0.5018762087331011
Energy: 0.399699628477943
Energy: 0.401025660542142
Energy: 0.5019231611487003
Energy: 0.5289682035003317
Energy: 0.5022277132185793
Energy: 0.6645254802661716
Energy: 0.40334676543626236
Energy: 0.4021914700306272
Energy: 0.5146257972387421
Energy: 0.4011211574283635
Energy: 0.4022012167998485

minimum gb energy = 0.38502207878933725 eV
minimum distance =  2.72979958729874 Angstroms
sigma value = 3


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

Energy: 0.7794484768640436
Energy: 0.7350076628728572
Energy: 0.5588963352253897
Energy: 0.4860336216956633
Energy: 0.8651484258371104
Energy: 0.5581467182613155
Energy: 0.4662889122903317
Energy: 0.5457748054976022
Energy: 0.4671498937430316
Energy: 0.5301681136378382
Energy: 0.507816290980748
Energy: 0.4688989600227192
Energy: 0.5968765517210989
Energy: 0.4615400018542047
Energy: 0.46206291329490246
Energy: 0.5973114139706568
Energy: 0.4616747585384678
Energy: 0.4660559781190887
Energy: 0.46982817270234684
Energy: 0.46625119896094336
Energy: 0.4661224297540856
Energy: 0.4701938263732926
Energy: 0.4618239937421579
Energy: 0.4659328734253854
Energy: 0.47263267656575764
Energy: 0.4699944756154243
Energy: 0.4675652870776088
Energy: 0.47309963505051833
Energy: 0.47428184705778953
Energy: 0.46628277941072854
Energy: 0.46755413059583245
Energy: 0.5040540084507328
Energy: 0.46789691534137046
Energy: 0.4677165511313337
Energy: 0.4750372488403595
Energy: 0.4677492615557098
Energy: 0.46632773160617413
Energy: 0.5065448639430193
Energy: 0.5097573789650928
Energy: 0.46679632943625277
Energy: 0.5511430691214895
Energy: 0.5050575350638135
Energy: 0.7339202519746735
Energy: 0.5358190324267064
Energy: 0.5348746752019496
Energy: 0.46805897177161443
Energy: 0.6036990143604526
Energy: 0.5248685123410263
Energy: 0.4676637606811902
Energy: 0.5080236431638312
Energy: 0.5035222068034534
Energy: 0.4679122007859236
Energy: 0.469995623888026
Energy: 0.47325745264005514
Energy: 0.6287383408937879
Energy: 0.468591794963348
Energy: 0.4687851892905422
Energy: 0.6293077034034281
Energy: 0.4689097352068793
Energy: 0.5405552679297089
Energy: 0.5465965858717798
Energy: 0.46213274916903896
Energy: 0.46167303245963054
Energy: 0.5544142468549461
Energy: 0.5562133569528264
Energy: 0.5125743019456721
Energy: 0.5539930444514641
Energy: 0.5671694524804025
Energy: 0.4674088396942379
Energy: 0.5061374710293017
Energy: 0.465688430186365
Energy: 0.4676691922985319
Energy: 0.5917174784475747
Energy: 0.4663282657055865
Energy: 0.4658401608165039
Energy: 0.4663145071212834
Energy: 0.46620017725098284
Energy: 0.4661848742500066
Energy: 0.5493262320677199
Energy: 0.4688781744189221
Energy: 0.4661323330980008
Energy: 0.5049657234811588
Energy: 0.4687348245827237
Energy: 0.4661878316843792
Energy: 0.6415933344079393
Energy: 0.46595711559461894
Energy: 0.4664865592656437
Energy: 0.47386050207782393
Energy: 0.46587174670997783
Energy: 0.5348202362501097
Energy: 0.5496849903327633
Energy: 0.4698946671113181
Energy: 0.46652302062151235
Energy: 0.5060031113444153
Energy: 0.5294281377939603
Energy: 0.4665784768063434
Energy: 0.6719299859740699
Energy: 0.5054200684872033
Energy: 0.5057315497245175
Energy: 0.670712892981849
Energy: 0.5056137832922061
Energy: 0.6666947746266912
Energy: 0.508677033114334
Energy: 0.473291704251342
Energy: 0.4672306258410325
Energy: 0.5086975414533808
Energy: 0.5060026452873009
Energy: 0.5177440955344131
Energy: 0.5399870590542133
Energy: 0.5844109849193949
Energy: 0.46623390409604737
Energy: 0.4684827494520443
Energy: 0.6009163997468328
Energy: 0.4685571543400701
Energy: 0.6850897309385878
Energy: 0.4662348974562026
Energy: 0.46643443488277003
Energy: 0.46879798102395837
Energy: 0.5107037576407314
Energy: 0.4688744641486751
Energy: 0.5155823504707772
Energy: 0.4682536736735069
Energy: 0.5084901029541377
Energy: 0.46812064721490637
Energy: 0.46756134630208884
Energy: 0.48316657505153876
Energy: 0.5051658966217527
Energy: 0.5385445848762883
Energy: 0.5456090976395327
Energy: 0.4679663031881926
Energy: 0.46948242292905323
Energy: 0.5067159002276573
Energy: 0.5090135815008475
Energy: 0.5540267817277004
Energy: 0.4675500988327824
Energy: 0.509859776697263
Energy: 0.5076986314301262
Energy: 0.468679670328482
Energy: 0.5062119017738838
Energy: 0.4659836039623833
Energy: 0.5016418454506166
Energy: 0.5063025852998523
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Energy: 0.5061946140641284
Energy: 0.47024295082696643
Energy: 0.46633287097429577
Energy: 0.46674844449657077
Energy: 0.4709153590820977
Energy: 0.5072729220047723
Energy: 0.46634938636405093
Energy: 0.7838089718448104
Energy: 0.6117905080808064
Energy: 0.6067477196262506
Energy: 0.4617138568634203
Energy: 0.6570944822928622
Energy: 0.46141573448042933
Energy: 0.4703437201356379
Energy: 0.5788594843798661
Energy: 0.5526065648689983
Energy: 0.4614436631194217
Energy: 0.5372311182814405
Energy: 0.4613310676466486
Energy: 0.47174535189175054
Energy: 0.4667773525597448
Energy: 0.46633790347903725
Energy: 0.471231000475842
Energy: 0.5105099074275488
Energy: 0.4662976981343758
Energy: 0.4661789609646452
Energy: 0.46192169089875734
Energy: 0.4618595322498854
Energy: 0.4661301946878802
Energy: 0.4621960937967387
Energy: 0.46635472442710535
Energy: 0.4667304429270609
Energy: 0.4685311976287733
Energy: 0.46646296518752206
Energy: 0.4675562410972382
Energy: 0.5121417812939453
Energy: 0.4658856199548743
Energy: 0.4657326051360357
Energy: 0.5299201522118612
Energy: 0.4673364719994817
Energy: 0.46588890576571373
Energy: 0.5048874871858935
Energy: 0.466206695997979
Energy: 0.47072807247732734
Energy: 0.47343497760051295
Energy: 0.4726663456257549
Energy: 0.4715044593453955
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Energy: 0.5102158804757445
Energy: 0.7352533841268802
Energy: 0.5359378229087187
Energy: 0.5359679537826887
Energy: 0.4660013397227113
Energy: 0.5776551925445127
Energy: 0.5057431143863972
Energy: 0.5058701459846706
Energy: 0.5463913115151537
Energy: 0.5117478767425399
Energy: 0.5054464039729064
Energy: 0.533272749278207
Energy: 0.5107031509349846
Energy: 0.4656289899974175
Energy: 0.46189470078383515
Energy: 0.4619918148754867
Energy: 0.46567570149756976
Energy: 0.5565012795447382
Energy: 0.5125618139019515
Energy: 0.5874426142727133
Energy: 0.4686340523562458
Energy: 0.4688050840587356
Energy: 0.550636248060466
Energy: 0.4689272315075549
Energy: 0.54043389815021
Energy: 0.5489258775184652
Energy: 0.5082851550655253
Energy: 0.5038843883822817
Energy: 0.5499330149314788
Energy: 0.4706993439439926
Energy: 0.4727055578615973
Energy: 0.542606669857863
Energy: 0.4661261424142784
Energy: 0.46614246924786323
Energy: 0.46681902522409513
Energy: 0.4659548410042969
Energy: 0.4672738795727095
Energy: 0.5510433206523033
Energy: 0.4692023308068983
Energy: 0.4659134333867072
Energy: 0.5061034466967421
Energy: 0.46938539374733546
Energy: 0.46580504211344065
Energy: 0.6400470824565582
Energy: 0.4661446490583431
Energy: 0.4663937875943783
Energy: 0.4744941947575199
Energy: 0.4661854110345946
Energy: 0.46645379696153805
Energy: 0.5504197479693532
Energy: 0.5767197960754165
Energy: 0.4662649120341862
Energy: 0.505031116826135
Energy: 0.546332242752182
Energy: 0.4665397449536328
Energy: 0.5493023491334421
Energy: 0.47363124726261857
Energy: 0.510594891762048
Energy: 0.549195489241311
Energy: 0.4668165469134515
Energy: 0.5209044882523453
Energy: 0.5396905829767082
Energy: 0.505485925523497
Energy: 0.5055428486887946
Energy: 0.5397609848588751
Energy: 0.5052627945781412
Energy: 0.5094579410783614
Energy: 0.5099889033024267
Energy: 0.4697517557064273
Energy: 0.46642979338121227
Energy: 0.4670529037211236
Energy: 0.47034851388797205
Energy: 0.466714672282469
Energy: 0.6881999900502239
Energy: 0.5047895352335783
Energy: 0.5039735753549744
Energy: 0.48388286089424165
Energy: 0.5046609180176986
Energy: 0.5040922399861656
Energy: 0.5099251915291374
Energy: 0.4693867430101505
Energy: 0.46664006906139693
Energy: 0.46698186718569856
Energy: 0.510790653853309
Energy: 0.46677315365136346
Energy: 0.5088704316378884
Energy: 0.5069470106357259
Energy: 0.48082262305540774
Energy: 0.468250563737863
Energy: 0.4671328357237724
Energy: 0.47994115140440724
Energy: 0.5144821717965341
Energy: 0.5550474041021433
Energy: 0.4821837490254331
Energy: 0.467461151700433
Energy: 0.46892300247579005
Energy: 0.46720255594478727
Energy: 0.5086090204113782
Energy: 0.46610472593320507
Energy: 0.4662394866977357
Energy: 0.5088816032646155
Energy: 0.4664713541589216
Energy: 0.46676494147568637
Energy: 0.59445497738001
Energy: 0.46632216619164896
Energy: 0.4660806347844919
Energy: 0.5953236142350706
Energy: 0.4665603465468876
Energy: 0.46639346677408144
Energy: 0.46178623084519493
Energy: 0.5466863590466946
Energy: 0.5185402666145965
Energy: 0.5117900983008474
Energy: 0.4684317845181442
Energy: 0.46736961729899756

minimum gb energy = 0.4613310676466486 eV
minimum distance =  2.68417147268899 Angstroms
sigma value = 81


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

Energy: 0.9191685895709748
Energy: 0.6579392411498586
Energy: 0.5746300072926624
Energy: 0.5331576711951965
Energy: 0.759412938907536
Energy: 0.5746440751242449
Energy: 0.49318311175993385
Energy: 0.5085014879423283
Energy: 0.5079333224597601
Energy: 0.5283006489030926
Energy: 0.5088209138240465
Energy: 0.5062644534396386
Energy: 0.527942797101111
Energy: 0.48549493529439425
Energy: 0.4843886317229787
Energy: 0.5281338804633944
Energy: 0.4860185109459216
Energy: 0.5745974402407484
Energy: 0.4919797226692882
Energy: 0.4851312544904811
Energy: 0.49158362641105774
Energy: 0.4920946035955605
Energy: 0.4865784811600137
Energy: 0.49086614429605874
Energy: 0.4920919487457794
Energy: 0.4996811809396502
Energy: 0.4990204355546755
Energy: 0.4918806596984719
Energy: 0.4868252575846658
Energy: 0.4990465062735474
Energy: 0.5866254319329887
Energy: 0.5053730273235508
Energy: 0.5075359697622213
Energy: 0.6212567551995292
Energy: 0.4867392605886354
Energy: 0.5074996972307276
Energy: 0.5122953289163894
Energy: 0.4729504771402947
Energy: 0.4858362283671391
Energy: 0.48942327379070677
Energy: 0.4725432091693773
Energy: 0.48708938639634874
Energy: 0.7562252108111851
Energy: 0.5453211384756079
Energy: 0.5452861080454816
Energy: 0.46973059540714207
Energy: 0.545550788805973
Energy: 0.4904644079074606
Energy: 0.528085648027396
Energy: 0.49657651508484574
Energy: 0.5085230872529649
Energy: 0.5283352416416159
Energy: 0.5337245776997136
Energy: 0.5046060826034021
Energy: 0.6028916821031903
Energy: 0.5450976740673764
Energy: 0.5058210284448722
Energy: 0.576259634506678
Energy: 0.5327052055017613
Energy: 0.5285871655013988
Energy: 0.5137030072340558
Energy: 0.5046249429869116
Energy: 0.5045743161976758
Energy: 0.5136553783936505
Energy: 0.496921783419707
Energy: 0.5054860152646174
Energy: 0.5065745540574149
Energy: 0.5335823776060908
Energy: 0.5005349407638825
Energy: 0.4851013759881964
Energy: 0.4705262905963977
Energy: 0.5000095948507808
Energy: 0.6070826568333941
Energy: 0.47056141991788275
Energy: 0.4706069097287521
Energy: 0.48448220060223746
Energy: 0.5116972870359092
Energy: 0.47000125071637694
Energy: 0.4884841702465259
Energy: 0.48866487076756177
Energy: 0.47037609853559514
Energy: 0.4888163902467178
Energy: 0.4884163204142023
Energy: 0.47026522601354437
Energy: 0.668460454805572
Energy: 0.47103964786713726
Energy: 0.5556827741159273
Energy: 0.5115102115737936
Energy: 0.4714438890032036
Energy: 0.5120834725088876
Energy: 0.5008608790903656
Energy: 0.5129173421473221
Energy: 0.5131366074935914
Energy: 0.5013902653013241
Energy: 0.5932806125024191
Energy: 0.5150118148942848
Energy: 0.5128653368026734
Energy: 0.469683628169639
Energy: 0.49116506571885454
Energy: 0.5130130478860336
Energy: 0.46946475420800704
Energy: 0.49076732811157736
Energy: 0.535292452081633
Energy: 0.4757972340359797
Energy: 0.4902817927748225
Energy: 0.5354080292876907
Energy: 0.47514344772097294
Energy: 0.5068406333563027
Energy: 0.47530897631679786
Energy: 0.6249848444188355
Energy: 0.5418281744071237
Energy: 0.5129217063859398
Energy: 0.6251642733904955
Energy: 0.5031861561370752
Energy: 0.47578952113515627
Energy: 0.5351661375657977
Energy: 0.5029720891791759
Energy: 0.48859812658137125
Energy: 0.5350084743818905
Energy: 0.5031904610924749
Energy: 0.4749827147526419
Energy: 0.47634184234626664
Energy: 0.5126597253219232
Energy: 0.4751037924224302
Energy: 0.4766954708159418
Energy: 0.5072923059626934
Energy: 0.5098909508563776
Energy: 0.4854034916500069
Energy: 0.49743138392819103
Energy: 0.5099946194036931
Energy: 0.4853236895772548
Energy: 0.4973963210663145
Energy: 0.49767067747410954
Energy: 0.5070998477291435
Energy: 0.5075026969709983
Energy: 0.49840609302066546
Energy: 0.4757196441538798
Energy: 0.504744676723564
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Energy: 0.5074604335314432
Energy: 0.5364508387294262
Energy: 0.5073120631817655
Energy: 0.579021363586059
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Energy: 0.5112096938529763
Energy: 0.5792021589939037
Energy: 0.4954342217100943
Energy: 0.510330025046886
Energy: 0.7587818248361645
Energy: 0.490846845713123
Energy: 0.5002899486379367
Energy: 0.47064021935210154
Energy: 0.49047633376678784
Energy: 0.4999738916266919
Energy: 0.5983141068372042
Energy: 0.5333193124793796
Energy: 0.5003589809079328
Energy: 0.4704433812979043
Energy: 0.4715161499180706
Energy: 0.5003754953768802
Energy: 0.5800548868158804
Energy: 0.5044706446054585
Energy: 0.5046784330522528
Energy: 0.5800876443346173
Energy: 0.49699432815526146
Energy: 0.5074089698846982
Energy: 0.5916880993942127
Energy: 0.5463451087745239
Energy: 0.5057723345103654
Energy: 0.5926833624367092
Energy: 0.5463700378679831
Energy: 0.5055368196872557
Energy: 0.5281503470163975
Energy: 0.4970342661371701
Energy: 0.5086252626997234
Energy: 0.5285459656896623
Energy: 0.5341045923456837
Energy: 0.5047679676880731
Energy: 0.6060538841789886
Energy: 0.49388231097928514
Energy: 0.48507180678276035
Energy: 0.4847130643793799
Energy: 0.6048369274802374
Energy: 0.5383034543471267
Energy: 0.5126154480366927
Energy: 0.4704430556963098
Energy: 0.4705795944621388
Energy: 0.48870752711624277
Energy: 0.47048312174312884
Energy: 0.4706522935353416
Energy: 0.6659341940738643
Energy: 0.47094106989148515
Energy: 0.4708148505473408
Energy: 0.539677348920638
Energy: 0.47076743820881717
Energy: 0.4705336109245273
Energy: 0.4961265875534029
Energy: 0.6100256648848185
Energy: 0.5085900250481389
Energy: 0.49596942246221365
Energy: 0.5640810411333422
Energy: 0.5084017358980351
Energy: 0.49462133165205835
Energy: 0.5070493535645981
Energy: 0.5060330786424949
Energy: 0.49470750218362197
Energy: 0.4693685674588493
Energy: 0.5060693115438424
Energy: 0.5269873397701955
Energy: 0.4689264148039228
Energy: 0.4865913575888774
Energy: 0.6400025544545548
Energy: 0.46912901557923736
Energy: 0.5737718501411929
Energy: 0.4940465779696834
Energy: 0.5079060434818949
Energy: 0.5077360685307646
Energy: 0.5624672214638968
Energy: 0.5642458064883002
Energy: 0.5063736794652018
Energy: 0.6356794192766185
Energy: 0.6483753849526642
Energy: 0.5334781007453575
Energy: 0.4985111758459091
Energy: 0.6440175240521601
Energy: 0.53355382865662

minimum gb energy = 0.4689264148039228 eV
minimum distance =  2.57506737617357 Angstroms
sigma value = 43


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

Energy: 0.8086726987756037
Energy: 0.6294683963695727
Energy: 0.5980158374423433
Energy: 0.5204678973504409
Energy: 0.6294219256686225
Energy: 0.5203450892295499
Energy: 0.49198302884162104
Energy: 0.5138613272176697
Energy: 0.5557056621079022
Energy: 0.5489998320571121
Energy: 0.5038624112777864
Energy: 0.5021572689343489
Energy: 0.6351123239109653
Energy: 0.47670860685673816
Energy: 0.4764302791079588
Energy: 0.5732256417763572
Energy: 0.47617414149308046
Energy: 0.517782342252086
Energy: 0.4913207501272427
Energy: 0.47724524673043023
Energy: 0.4907281436493452
Energy: 0.49107731068036425
Energy: 0.47580753292851236
Energy: 0.4906044719474687
Energy: 0.49046698953047907
Energy: 0.5019191684175577
Energy: 0.5020155290871324
Energy: 0.49047607886611516
Energy: 0.501649734336174
Energy: 0.5016598222559999
Energy: 0.4909007523198034
Energy: 0.5014188505283713
Energy: 0.5017809045880972
Energy: 0.5017493572470638
Energy: 0.490703002336618
Energy: 0.5027258165432099
Energy: 0.5164693912377882
Energy: 0.4905165666479584
Energy: 0.4905125592419191
Energy: 0.5166906587250593
Energy: 0.4920549285503411
Energy: 0.49035092955362175
Energy: 0.6868074813411028
Energy: 0.49107664026344644
Energy: 0.49115273523447384
Energy: 0.5211195517437134
Energy: 0.49093289982687666
Energy: 0.6015484815172724
Energy: 0.5169078402178623
Energy: 0.49063059417366733
Energy: 0.49058353097094537
Energy: 0.5172840413658794
Energy: 0.5766344208259163
Energy: 0.4905603349188038
Energy: 0.5523337085943085
Energy: 0.5187145068596779
Energy: 0.5188253053593144
Energy: 0.5525867115774595
Energy: 0.5188194442714567
Energy: 0.584211452119876
Energy: 0.47538550608382785
Energy: 0.5290481951594755
Energy: 0.5222260727880154
Energy: 0.4752489772493553
Energy: 0.5500310618621714
Energy: 0.5396607219669655
Energy: 0.5520803674646109
Energy: 0.5884524446302896
Energy: 0.5181169550914799
Energy: 0.47678198810473205
Energy: 0.6371717301458677
Energy: 0.4912766054389187
Energy: 0.7254586155671162
Energy: 0.4908332198811122
Energy: 0.5289670346112648
Energy: 0.47594924078410344
Energy: 0.518265545488976
Energy: 0.5036439593544644
Energy: 0.47539356042653724
Energy: 0.5065819707840757
Energy: 0.5451757732632534
Energy: 0.4754082796078266
Energy: 0.5066566208644133
Energy: 0.546127758249979
Energy: 0.47573227742509916
Energy: 0.5447544917467644
Energy: 0.47776503189841296
Energy: 0.4761422648939494
Energy: 0.5251879583201499
Energy: 0.47684435506283185
Energy: 0.4758093086789376
Energy: 0.4769520270366412
Energy: 0.47577463892328925
Energy: 0.47612960975778773
Energy: 0.5157755146536624
Energy: 0.4755965520234991
Energy: 0.476493794623303
Energy: 0.47673203107069406
Energy: 0.47652692838966865
Energy: 0.4765230934628073
Energy: 0.5444362621387352
Energy: 0.47642685184513145
Energy: 0.47617205875519275
Energy: 0.5215017464461467
Energy: 0.5217323333981164
Energy: 0.47616589571883483
Energy: 0.5312689839823096
Energy: 0.4754563130557164
Energy: 0.5157981376633235
Energy: 0.5171437451380161
Energy: 0.5144220604565717
Energy: 0.505206437695701
Energy: 0.5197407612087794
Energy: 0.49051309126442133
Energy: 0.5153505317531175
Energy: 0.6003149163666833
Energy: 0.5141684508498363
Energy: 0.490444082553795
Energy: 0.5526651072320913
Energy: 0.49042122542626465
Energy: 0.4760093828773545
Energy: 0.538041300002484
Energy: 0.4944357147895791
Energy: 0.4761085457204119
Energy: 0.5395796909907733
Energy: 0.5226591804307069
Energy: 0.6310529200728593
Energy: 0.5037824469214325
Energy: 0.5562600272330588
Energy: 0.6311202639398283
Energy: 0.47594345479762856
Energy: 0.5673032874813286
Energy: 0.5495907532812438
Energy: 0.5225197064287324
Energy: 0.5212287250684965
Energy: 0.5310224176395093
Energy: 0.5170760252530497
Energy: 0.5226911247158513
Energy: 0.5346296996917473
Energy: 0.6080697782452595
Energy: 0.5634668037026872
Energy: 0.47573020810266353
Energy: 0.47614858335974186
Energy: 0.475804116699078
Energy: 0.5494430156395906
Energy: 0.4760427362911638
Energy: 0.4756916637439253
Energy: 0.5497265047731829
Energy: 0.4765260195529386
Energy: 0.47654811470269964
Energy: 0.5201230890738495
Energy: 0.4760346964889988
Energy: 0.4756770746167266
Energy: 0.5453273513858595
Energy: 0.4755715009654777
Energy: 0.47716406319959237
Energy: 0.5198711279429659
Energy: 0.5597119185572289
Energy: 0.5315203987794198
Energy: 0.4911109717829705
Energy: 0.47531122498236567
Energy: 0.5446136806332174
Energy: 0.5202096486513945
Energy: 0.5449374957854977
Energy: 0.49073405819885324
Energy: 0.5179031854860412
Energy: 0.5142142135074588
Energy: 0.4911668724318588
Energy: 0.5950993346377577
Energy: 0.49081359097143146
Energy: 0.5174467310334148
Energy: 0.5963372929198587
Energy: 0.5206683410976101
Energy: 0.5649123427125128
Energy: 0.49117865810230826
Energy: 0.5137898222612527
Energy: 0.5455371294480506
Energy: 0.4912032648323615
Energy: 0.475457127361889
Energy: 0.49034339237783603
Energy: 0.8103793473429195
Energy: 0.6822116677836659
Energy: 0.6499898864767965
Energy: 0.5036885781635662
Energy: 0.6829782808057997
Energy: 0.5370816542972562

minimum gb energy = 0.4752489772493553 eV
minimum distance =  2.54427561633801 Angstroms
sigma value = 57


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

Energy: 0.5741013586804181
Energy: 0.5949975728973836
Energy: 0.5448820177395877
Energy: 0.5748247010588518
Energy: 0.867127058214216
Energy: 0.5445726937251483
Energy: 0.49101461936502167
Energy: 0.4928129677255538
Energy: 0.49274932820610057
Energy: 0.49297233883458474
Energy: 0.49311461665059503
Energy: 0.4899953696357445
Energy: 0.6111845169395881
Energy: 0.4504821747970337
Energy: 0.45033245893694235
Energy: 0.612239986693264
Energy: 0.5046935547255564
Energy: 0.45013972009207986
Energy: 0.49031348995506346
Energy: 0.4504718696428711
Energy: 0.45042294182531856
Energy: 0.48972219887925683
Energy: 0.5055164866465655
Energy: 0.48940070439551236
Energy: 0.4891713216620413
Energy: 0.4660923807081436
Energy: 0.4667173138186238
Energy: 0.48923170871791904
Energy: 0.4662234719890603
Energy: 0.46680914629130316
Energy: 0.45042245838775
Energy: 0.4680368647651767
Energy: 0.46584839635764086
Energy: 0.46596701553266806
Energy: 0.49021875460391295
Energy: 0.4657609893380126
Energy: 0.4928304811107248
Energy: 0.4900279554476787
Energy: 0.48910201999659175
Energy: 0.49332978939022687
Energy: 0.49120552326697164
Energy: 0.4892160142575798
Energy: 0.48883287749967846
Energy: 0.5647378923495235
Energy: 0.5640345960744957
Energy: 0.489108331351691
Energy: 0.5657864198787564
Energy: 0.48984983691968426
Energy: 0.49276895483138267
Energy: 0.49071480154556385
Energy: 0.48957448794994873
Energy: 0.49322142276995096
Energy: 0.5582464224577025
Energy: 0.4903198203770703
Energy: 0.4929710703798427
Energy: 0.48934633831426977
Energy: 0.4890538968656701
Energy: 0.49317175641162553
Energy: 0.48939314948726315
Energy: 0.5493511149695564
Energy: 0.5580221404052856
Energy: 0.5438220896516497
Energy: 0.4920451048380201
Energy: 0.5575126187635019
Energy: 0.49329864553388414
Energy: 0.48964878811434803
Energy: 0.4504801403117417
Energy: 0.5571290745865466
Energy: 0.49284194231880685
Energy: 0.4514880702823402
Energy: 0.5575829865022307
Energy: 0.5280265331255023
Energy: 0.4523797795600305
Energy: 0.49143580034595596
Energy: 0.5884132194229729
Energy: 0.5283767602550963
Energy: 0.49289508083481637
Energy: 0.5282166830624262
Energy: 0.5575204002815046
Energy: 0.49333942256996083
Energy: 0.4929235054716308
Energy: 0.5580277025010151
Energy: 0.49364758855478297
Energy: 0.4897084773812663
Energy: 0.4958592282565187
Energy: 0.47745590167974034
Energy: 0.47721642138447873
Energy: 0.49581292338190724
Energy: 0.5048955992473515
Energy: 0.4772116132472403
Energy: 0.4891984963396617
Energy: 0.46693270553796234
Energy: 0.46779387213939244
Energy: 0.48992245298139075
Energy: 0.49354663218595596
Energy: 0.48911536625527247
Energy: 0.4901659779944527
Energy: 0.46561905540155735
Energy: 0.4657932446892424
Energy: 0.4896133602336992
Energy: 0.46590926503514735
Energy: 0.46602825411980975
Energy: 0.4900622333196461
Energy: 0.48986985072922523
Energy: 0.4675641157948975
Energy: 0.46721146331459024
Energy: 0.48943963975625676
Energy: 0.4681869625778514
Energy: 0.4928135121842692
Energy: 0.4893573813857809
Energy: 0.48986606675307254
Energy: 0.5216483235217493
Energy: 0.4893418881263789
Energy: 0.49026656505875965
Energy: 0.49269152003425354
Energy: 0.5505965211034513
Energy: 0.4896648469266224
Energy: 0.4933637949378081
Energy: 0.5568590424539351
Energy: 0.4900006229688804
Energy: 0.4930000765009261
Energy: 0.4941193755852543
Energy: 0.4929094521025757
Energy: 0.49311410276243
Energy: 0.49366452015404566
Energy: 0.4897446750704116
Energy: 0.5273967788319183
Energy: 0.5165013963227483
Energy: 0.516583691721127
Energy: 0.5273536495995801
Energy: 0.5446695611586946
Energy: 0.5165646413258624
Energy: 0.5571607248106188
Energy: 0.4935517309572571
Energy: 0.4928852622744456
Energy: 0.5576483797542919
Energy: 0.49360678160684784
Energy: 0.48970910037922444
Energy: 0.602160693869249
Energy: 0.5513513124486344
Energy: 0.5887335856049773
Energy: 0.5283113225866399
Energy: 0.5572413695902546
Energy: 0.5283086650190549

minimum gb energy = 0.45013972009207986 eV
minimum distance =  2.64939718804637 Angstroms
sigma value = 17


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

Energy: 0.6642059898884396
Energy: 0.6787378462568472
Energy: 0.5652546115739493
Energy: 0.47783462003488786
Energy: 0.678322521036984
Energy: 0.4778429240319293
Energy: 0.5497400179077763
Energy: 0.49798337842841317
Energy: 0.49779100659752273
Energy: 0.537511468431706
Energy: 0.49935602609591573
Energy: 0.49780528957849224
Energy: 0.5949996990012648
Energy: 0.4542461161513219
Energy: 0.4543779813730553
Energy: 0.5958403972723809
Energy: 0.45444097568117264
Energy: 0.45453207876757484
Energy: 0.5003148268979862
Energy: 0.4541945299269032
Energy: 0.45456987645611413
Energy: 0.498082135297573
Energy: 0.4546164368269804
Energy: 0.4975531452982259
Energy: 0.4979463245977452
Energy: 0.500609193978299
Energy: 0.5010702987562343
Energy: 0.4978514322576292
Energy: 0.5003268135973259
Energy: 0.5013866957651876
Energy: 0.5942892896645317
Energy: 0.4453103632869143
Energy: 0.4455135485589592
Energy: 0.435446104515128
Energy: 0.44501419069087284
Energy: 0.43618368980166494
Energy: 0.45423028965237444
Energy: 0.4461969930625132
Energy: 0.44501785510719455
Energy: 0.4902269315223494
Energy: 0.44744814290663454
Energy: 0.4951310575738716
Energy: 0.4456768260302068
Energy: 0.5332327531500821
Energy: 0.5310778716252956
Energy: 0.5328697004328138
Energy: 0.5546660841301486
Energy: 0.5311449190655834
Energy: 0.44685437995224475
Energy: 0.5334610492201035
Energy: 0.5353809680590422
Energy: 0.44755931932370213
Energy: 0.44673762098828107
Energy: 0.445561758844301
Energy: 0.4448472611131903
Energy: 0.44535112916780856
Energy: 0.4451409617264222
Energy: 0.4448801084090727
Energy: 0.44568139470430623
Energy: 0.4458740299945942
Energy: 0.566217008581116
Energy: 0.4722359401481364
Energy: 0.49980946916414254
Energy: 0.5580864067630609
Energy: 0.4979834239375966
Energy: 0.5014170526411469
Energy: 0.4969754821182209
Energy: 0.4981907065333247
Energy: 0.4974590214853253
Energy: 0.49737576346792367
Energy: 0.4980426281790491
Energy: 0.497360058369514
Energy: 0.49731599616740363
Energy: 0.5395834960545904
Energy: 0.5396145004230112
Energy: 0.47164145066101004
Energy: 0.5972968159158497
Energy: 0.49780954752127365
Energy: 0.5570202549051608
Energy: 0.4982366986769437
Energy: 0.49830180725268036
Energy: 0.5564125859585813
Energy: 0.49837027737149614
Energy: 0.49787448632571046
Energy: 0.5565565688359099
Energy: 0.4974857166221409
Energy: 0.49736480336782524
Energy: 0.5564264339351941
Energy: 0.49752920437225867
Energy: 0.5389348757991854
Energy: 0.5967848146541704
Energy: 0.5046541172926811
Energy: 0.49765997413232793
Energy: 0.5960163100314073
Energy: 0.5044099085506095
Energy: 0.4977043406344031
Energy: 0.5399582762573478
Energy: 0.5409655539783409
Energy: 0.5401363678216059
Energy: 0.5144594930189921
Energy: 0.5970640491882269
Energy: 0.5401959962784272

minimum gb energy = 0.435446104515128 eV
minimum distance =  2.60991632224835 Angstroms
sigma value = 17


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

Energy: 0.6792461260930868
Energy: 0.6320542973496387
Energy: 0.4701933522030819
Energy: 0.4665611680087179
Energy: 0.6669959988440556
Energy: 0.46687085001559364
Energy: 0.5647797841603893
Energy: 0.4884030814384075
Energy: 0.48848190863308494
Energy: 0.4881408925003736
Energy: 0.4897187676980008
Energy: 0.4884772049697985
Energy: 0.566562518610487
Energy: 0.4183493660312318
Energy: 0.44920104836360686
Energy: 0.5670799969876344
Energy: 0.41794947577919356
Energy: 0.4491653949748196
Energy: 0.4893518769501011
Energy: 0.4492351093181003
Energy: 0.449367476091567
Energy: 0.48991592343477
Energy: 0.418314393874389
Energy: 0.44930294459646597
Energy: 0.4875965354227763
Energy: 0.48434435997212405
Energy: 0.4861932198456983
Energy: 0.4877353570858634
Energy: 0.530739259523208
Energy: 0.48550647176633516
Energy: 0.6118138545067612
Energy: 0.43499681849461647
Energy: 0.4185476450121895
Energy: 0.41826320780245463
Energy: 0.4351374738544501
Energy: 0.4179554628430404
Energy: 0.4906900802717589
Energy: 0.43468054136534295
Energy: 0.43455882450891803
Energy: 0.4843589618639799
Energy: 0.43615086476236603
Energy: 0.47498815444463066
Energy: 0.5350638161209581
Energy: 0.4913680210180091
Energy: 0.45812878752080527
Energy: 0.5356565375924426
Energy: 0.4917976293740064
Energy: 0.4574947110569069
Energy: 0.4156611320172591
Energy: 0.49700440182708316
Energy: 0.4591576224038016
Energy: 0.41470013007082424
Energy: 0.4142266605399171
Energy: 0.4140276540875866
Energy: 0.4142703804990911
Energy: 0.49463636877820444
Energy: 0.49584425098767404
Energy: 0.41422027844901227
Energy: 0.4953650582746263
Energy: 0.49526196834137537
Energy: 0.5520634865367993
Energy: 0.414092513584016
Energy: 0.49484436975491797
Energy: 0.4958559274158897
Energy: 0.4142534605999708
Energy: 0.494505365849417
Energy: 0.4156452191921829
Energy: 0.4140136437670891
Energy: 0.4141271772289257
Energy: 0.41635427199286684
Energy: 0.41637014397254596
Energy: 0.4588732318600552
Energy: 0.4337871773523839
Energy: 0.46459247067743126
Energy: 0.45988603748423185
Energy: 0.4574531449168612
Energy: 0.5171201396129514
Energy: 0.45908735657800664
Energy: 0.43516495498036073
Energy: 0.510375092077996
Energy: 0.5101086641110639
Energy: 0.4357792644433416
Energy: 0.48827643234300344
Energy: 0.4346735166612654
Energy: 0.43477579768394364
Energy: 0.5059301010075625
Energy: 0.4693416877749399
Energy: 0.4347389574784531
Energy: 0.4570833600216309
Energy: 0.43506752760814765
Energy: 0.5376563944887182
Energy: 0.48779598958211545
Energy: 0.4852432538660432
Energy: 0.5306455781164551
Energy: 0.48795923602793234
Energy: 0.4857332250287073
Energy: 0.41436659280343696
Energy: 0.4880142328524561
Energy: 0.48817855173731683
Energy: 0.43605834369608787
Energy: 0.48790379622669966
Energy: 0.4342217603895416
Energy: 0.44425335355117224
Energy: 0.5197064033056994
Energy: 0.48780842239471167
Energy: 0.44173117980338333
Energy: 0.56593437215401
Energy: 0.43488848072590214
Energy: 0.5348656491392815
Energy: 0.48805420278555967
Energy: 0.48406572193176967
Energy: 0.5358128150362448
Energy: 0.4657118060089539
Energy: 0.48815845937064795
Energy: 0.6463719905881453
Energy: 0.48646261468549895
Energy: 0.4868145802948182
Energy: 0.6414118712231396
Energy: 0.43463824094432807
Energy: 0.49059826330405554
Energy: 0.5685707422632832
Energy: 0.48802610904974625
Energy: 0.4878218833759963
Energy: 0.5651361328721662
Energy: 0.4880345799307599
Energy: 0.48785775033300144
Energy: 0.482171172427195
Energy: 0.5219040435606644
Energy: 0.5563868099828827
Energy: 0.44923837905627334
Energy: 0.5669859435773688
Energy: 0.4493212916608026
Energy: 0.479461317235978
Energy: 0.4884141994322864
Energy: 0.4884472448107907
Energy: 0.48022449000772893
Energy: 0.5351849569489268
Energy: 0.5246383593049091
Energy: 0.5659181032500209
Energy: 0.45009459896631004
Energy: 0.4881899840858416
Energy: 0.5669232496535095
Energy: 0.4790914809257594
Energy: 0.4880179381703439
Energy: 0.4879782477153236
Energy: 0.41799752357396464
Energy: 0.44929025410064805
Energy: 0.48804560806142033
Energy: 0.4182319271234168
Energy: 0.44936562671311364
Energy: 0.4893058262314234
Energy: 0.48633827279752817
Energy: 0.4855554138662795
Energy: 0.4899738360979575
Energy: 0.48561638680483576
Energy: 0.4877023178487113
Energy: 0.449051633278491
Energy: 0.5304372065706414
Energy: 0.43580785589083687
Energy: 0.41814360285344887
Energy: 0.5385151243638684
Energy: 0.4180767946686701
Energy: 0.4367866123560516
Energy: 0.4361350034561603
Energy: 0.4347515678294405
Energy: 0.43702916607131065
Energy: 0.43653588112065406
Energy: 0.4347825874971902
Energy: 0.535991353692462
Energy: 0.50626374386692
Energy: 0.508284926593119
Energy: 0.5178513636830175
Energy: 0.4346214895610038
Energy: 0.5074706639433931
Energy: 0.41398858427933327
Energy: 0.49117544035974525
Energy: 0.4586747245479792
Energy: 0.41401206341504987
Energy: 0.4919199926285518
Energy: 0.4586989561868267
Energy: 0.41667910174680367
Energy: 0.49624310495502405
Energy: 0.49461841021498504
Energy: 0.41726831219849053
Energy: 0.49574716274496144
Energy: 0.45813473984550795
Energy: 0.5527936580333696
Energy: 0.4960468165206503
Energy: 0.49417318432014773
Energy: 0.5214299106604864
Energy: 0.49869578578109486
Energy: 0.49284518248760023
Energy: 0.43380298338329343
Energy: 0.4154654136554849
Energy: 0.4138255933984192
Energy: 0.43406510824344097
Energy: 0.4156281252564942
Energy: 0.414137247011508
Energy: 0.5905920826154184
Energy: 0.457225730103954
Energy: 0.4574943133844206
Energy: 0.45928052310277684
Energy: 0.41357655506720065
Energy: 0.4570319668273988
Energy: 0.4385917297034932
Energy: 0.5070115682799742
Energy: 0.5068539039432306
Energy: 0.4348184262874173
Energy: 0.5078199707243953
Energy: 0.5065031610322276
Energy: 0.43469938513188666
Energy: 0.45678081618880545
Energy: 0.4341915734599793
Energy: 0.43479328321205757
Energy: 0.4572081778337663
Energy: 0.43453411383728424
Energy: 0.5364326220717447
Energy: 0.4855801189748154
Energy: 0.4356363045244525
Energy: 0.5370054981260203
Energy: 0.48762716826925145
Energy: 0.43514323681243133
Energy: 0.47355589024716593
Energy: 0.4889897496855586
Energy: 0.48824247932552906
Energy: 0.4653170013983869
Energy: 0.4891227734453485
Energy: 0.48806933591852375
Energy: 0.4883182278411623
Energy: 0.5654597565570874
Energy: 0.4342376231544641
Energy: 0.43458452827600347
Energy: 0.56531904234911
Energy: 0.435232661691731
Energy: 0.5344775911410737
Energy: 0.48848955786780407
Energy: 0.48803606876595934
Energy: 0.5340603428372122
Energy: 0.5225196873294278
Energy: 0.4636072010714658
Energy: 0.5359695527557461
Energy: 0.4341319846900951
Energy: 0.48722382410557574
Energy: 0.5345691686954402
Energy: 0.43395681648621576
Energy: 0.5189324554239902
Energy: 0.5651494690474531
Energy: 0.46672664069103487
Energy: 0.48739969127913135
Energy: 0.5660680435004607
Energy: 0.5198211318519922
Energy: 0.4883413717309877
Energy: 0.4793536268821442
Energy: 0.5198559024701344
Energy: 0.4882485243446396
Energy: 0.4798708709369519
Energy: 0.5209766929862046
Energy: 0.5245304396184756

minimum gb energy = 0.41357655506720065 eV
minimum distance =  2.59656095032728 Angstroms
sigma value = 57


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

Energy: 0.6201520892825926
Energy: 0.6344750026814382
Energy: 0.4565967101658799
Energy: 0.42480102398611247
Energy: 0.6343257093631393
Energy: 0.45567866094184306
Energy: 0.536055821707735
Energy: 0.4754371115251492
Energy: 0.4773632855367263
Energy: 0.4780585264549927
Energy: 0.47389848941222645
Energy: 0.4720591550226133
Energy: 0.5365323112660904
Energy: 0.4066277428330289
Energy: 0.4071136771109682
Energy: 0.5375822428355272
Energy: 0.4069173141463684
Energy: 0.43857925686093613
Energy: 0.47478018392754795
Energy: 0.4072496097500016
Energy: 0.4386428609895807
Energy: 0.4751283767996706
Energy: 0.4798645732351795
Energy: 0.4385143536149625
Energy: 0.44654444831113854
Energy: 0.4686856954395009
Energy: 0.46996098120749136
Energy: 0.4426739552031541
Energy: 0.4983799552047871
Energy: 0.47153798356636767
Energy: 0.5721591448589448
Energy: 0.42352715435137905
Energy: 0.4067608403437197
Energy: 0.46175929858014036
Energy: 0.4235149689683756
Energy: 0.40643292687282073
Energy: 0.5181108317190282
Energy: 0.4283382514272481
Energy: 0.42352302555038523
Energy: 0.5101462486831014
Energy: 0.42629739762306756
Energy: 0.45730598667459005
Energy: 0.5035763647399288
Energy: 0.46864624216420814
Energy: 0.46598015365474654
Energy: 0.5043942145740644
Energy: 0.46489916481734994
Energy: 0.4453340588091228
Energy: 0.3996674788581784
Energy: 0.47576108490321534
Energy: 0.3982459952992325
Energy: 0.40070582646601777
Energy: 0.5171983755260153
Energy: 0.39807115109913255
Energy: 0.39852603676749937
Energy: 0.4729681257476314
Energy: 0.4679555734794749
Energy: 0.39854791118493105
Energy: 0.4683029713747397
Energy: 0.46963090521310863
Energy: 0.5359897698847177
Energy: 0.3862021944272701
Energy: 0.4630721131083882
Energy: 0.45991534134326245
Energy: 0.3945369728076815
Energy: 0.4632629454517686
Energy: 0.5126729359062084
Energy: 0.3905477882996257
Energy: 0.38603564158067416
Energy: 0.5132103221785763
Energy: 0.39058023976869133
Energy: 0.4602129765976742
Energy: 0.4542118105949856
Energy: 0.45821157438718
Energy: 0.4539342664711471
Energy: 0.4621594463169893
Energy: 0.4620674211081975
Energy: 0.45616676840848724
Energy: 0.38622250880455966
Energy: 0.462565606121984
Energy: 0.38595276004047996
Energy: 0.3873021277598594
Energy: 0.5130615868706441
Energy: 0.3858530598997679
Energy: 0.38625362810018654
Energy: 0.46195831066365606
Energy: 0.46173248458971644
Energy: 0.3862993611264811
Energy: 0.46260251048634266
Energy: 0.46073967001209337
Energy: 0.5058110116965834
Energy: 0.39831608774593863
Energy: 0.4687933648523026
Energy: 0.4696516054373236
Energy: 0.40442162339098486
Energy: 0.46729933927477657
Energy: 0.4063274471357171
Energy: 0.4037949275090269
Energy: 0.3981144483471906
Energy: 0.4618342789577414
Energy: 0.40321349007660184
Energy: 0.43843376180111737
Energy: 0.42310121911605425
Energy: 0.43851524927482055
Energy: 0.4401622956519672
Energy: 0.42305037371463733
Energy: 0.48317993482477745
Energy: 0.4381524579013846
Energy: 0.42352999294311494
Energy: 0.4448742099375334
Energy: 0.4235856545741651
Energy: 0.4244493212884698
Energy: 0.5133165872460297
Energy: 0.42339076682476107
Energy: 0.5125251870634323
Energy: 0.4378583313646449
Energy: 0.446243878339833
Energy: 0.5130188155385014
Energy: 0.4368970333095078
Energy: 0.47053810363167964
Energy: 0.5127597377703843
Energy: 0.4724357208922775
Energy: 0.4719065603264149
Energy: 0.506501488704327
Energy: 0.4772984544204962
Energy: 0.4718421899971507
Energy: 0.47802336896638226
Energy: 0.47187726963773996
Energy: 0.44894479579948765
Energy: 0.43898001037225326
Energy: 0.4771647571269748
Energy: 0.42325571129143896
Energy: 0.4308466023544286
Energy: 0.5012487198685781
Energy: 0.47199455656461964
Energy: 0.47244081219158796
Energy: 0.5368962245004737
Energy: 0.47180760247701725
Energy: 0.5099601544653583
Energy: 0.4281999408165088
Energy: 0.4677223197085421
Energy: 0.5107283601218598
Energy: 0.4990990502761763
Energy: 0.4719699145255764
Energy: 0.5392566819627043
Energy: 0.42285190250725785
Energy: 0.42339044162410283
Energy: 0.5399679191371188
Energy: 0.42333306046988045
Energy: 0.47189544046783505
Energy: 0.5396577423481248
Energy: 0.4769556963396945
Energy: 0.47203150641523944
Energy: 0.5406056730790703
Energy: 0.47659713911144513
Energy: 0.471737836859892
Energy: 0.4380020400826193
Energy: 0.5009133270473026
Energy: 0.43895619107763056
Energy: 0.40684282246617137
Energy: 0.5384277155655337
Energy: 0.43866720479576293

minimum gb energy = 0.3858530598997679 eV
minimum distance =  2.60725971947351 Angstroms
sigma value = 43


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

Energy: 0.5667689148281347
Energy: 0.5209663174451221
Energy: 0.41925033313308646
Energy: 0.3753344715396756
Energy: 0.5212037620147136
Energy: 0.39248873138715534
Energy: 0.47004164275129884
Energy: 0.4243335269495431
Energy: 0.42414876234746957
Energy: 0.42465917929812064
Energy: 0.42594594095077665
Energy: 0.4204391697743168
Energy: 0.4731603588452468
Energy: 0.41055698880060215
Energy: 0.3738596305122408
Energy: 0.47057720538003783
Energy: 0.41113748261550187
Energy: 0.37197081717539704
Energy: 0.4265835985737967
Energy: 0.374864482790692
Energy: 0.3726664241396178
Energy: 0.4271049635272332
Energy: 0.44703259828676667
Energy: 0.3991498511265865
Energy: 0.42829389768294407
Energy: 0.38597179994102043
Energy: 0.3859261895243969
Energy: 0.4281953123085839
Energy: 0.414825595761024
Energy: 0.41235495330782906
Energy: 0.5310634321902994
Energy: 0.3860516033251737
Energy: 0.37218538766026404
Energy: 0.4012914539685367
Energy: 0.38593322237346206
Energy: 0.35279903194415696
Energy: 0.4515195599569824
Energy: 0.385962281955271
Energy: 0.385907219537635
Energy: 0.3933675002418985
Energy: 0.38868435129450774
Energy: 0.3862635079351823
Energy: 0.44546860734874616
Energy: 0.40084350755368864
Energy: 0.410024113008663
Energy: 0.44543654381927045
Energy: 0.40069946080247665
Energy: 0.4100293952756094
Energy: 0.36377313805615985
Energy: 0.41019742905459594
Energy: 0.36263400417604974
Energy: 0.36462484184635535
Energy: 0.44668731108439363
Energy: 0.36269306578010185
Energy: 0.36268369795066624
Energy: 0.4047275035380913
Energy: 0.4165061075291359
Energy: 0.36257966326316393
Energy: 0.3780262196323538
Energy: 0.41834700975769995
Energy: 0.34138941005481677
Energy: 0.3466920164223505
Energy: 0.37950769161241493
Energy: 0.3955304381886597
Energy: 0.3466725535580624
Energy: 0.4012446052279986
Energy: 0.4436036337792554
Energy: 0.34666507926865386
Energy: 0.34676777535602604
Energy: 0.4239189360855407
Energy: 0.34677715219635413
Energy: 0.40735156619446444
Energy: 0.4385609531852854
Energy: 0.39553485514272535
Energy: 0.39764724996039885
Energy: 0.4392557645205533
Energy: 0.39537500040115825
Energy: 0.3986142001929059
Energy: 0.33696778822126117
Energy: 0.42557763405173954
Energy: 0.3365835389116288
Energy: 0.33783324556635075
Energy: 0.4392720971959753
Energy: 0.33668105013886634
Energy: 0.33639285722941453
Energy: 0.3917600840653545
Energy: 0.39620739267742766
Energy: 0.33642032160166363
Energy: 0.39908818557487485
Energy: 0.3991772078394247
Energy: 0.43777026316296536
Energy: 0.33196547005305066
Energy: 0.33175805991345125
Energy: 0.3950265662667915
Energy: 0.33195315953498533
Energy: 0.3954940392880978
Energy: 0.44027579784437715
Energy: 0.3318276714649313
Energy: 0.33182241135219004
Energy: 0.39630206765263537
Energy: 0.3319593338362762
Energy: 0.39611801408244185
Energy: 0.4386097731008151
Energy: 0.38778513403583165
Energy: 0.3901211754645806
Energy: 0.4395691650123726
Energy: 0.3919566358381147
Energy: 0.3949129186478514
Energy: 0.33181107290720613
Energy: 0.4364465832920188
Energy: 0.33212714426387413
Energy: 0.33294359070171614
Energy: 0.4386776415840999
Energy: 0.33180812923867586
Energy: 0.4370082862401162
Energy: 0.3930430229033956
Energy: 0.3869183745296205
Energy: 0.43799747193491456
Energy: 0.39358137966877343
Energy: 0.39896327846551277
Energy: 0.4405455108321907
Energy: 0.33676873754292713
Energy: 0.336696758515919
Energy: 0.39546253629792033
Energy: 0.3367085338548425
Energy: 0.398913320817312
Energy: 0.387228438607889
Energy: 0.3368578042867154
Energy: 0.3364223553279964
Energy: 0.39915837953212363
Energy: 0.3368997494923727
Energy: 0.3991814250124807
Energy: 0.346480916142478
Energy: 0.3977256746223186
Energy: 0.4032432639434739
Energy: 0.3465132081403166
Energy: 0.39948356491084264
Energy: 0.40298087198245924
Energy: 0.3469148525965825
Energy: 0.44381254313046337
Energy: 0.34672469080410206
Energy: 0.3478292093276776
Energy: 0.4440047293386472
Energy: 0.34681355548466863
Energy: 0.4419635738031349
Energy: 0.39834320086041997
Energy: 0.40637449736326936
Energy: 0.4428317116502776
Energy: 0.3981030097940306
Energy: 0.4067965190693396
Energy: 0.45237750426600387
Energy: 0.3627572115414222
Energy: 0.3626262489869535
Energy: 0.41266177376524643
Energy: 0.3628745763386667
Energy: 0.4187895363020846
Energy: 0.34751854418144174
Energy: 0.3627482527068603
Energy: 0.36270996027872826
Energy: 0.3984249261779554
Energy: 0.36273572595386194
Energy: 0.40540778613312545
Energy: 0.38572082872172475
Energy: 0.39263001091463046
Energy: 0.39845497492287874
Energy: 0.38575987944185053
Energy: 0.39985628110074856
Energy: 0.3981951832416852
Energy: 0.38678920969694375
Energy: 0.41682888503862
Energy: 0.3859230911862159
Energy: 0.38775778517293985
Energy: 0.4516862978194562
Energy: 0.38612780018003284
Energy: 0.4503410455903478
Energy: 0.4055083422441743
Energy: 0.39283537229088245
Energy: 0.4505588625259642
Energy: 0.40575356597606255
Energy: 0.39234767011662897
Energy: 0.4495007196816522
Energy: 0.42437114557662525
Energy: 0.42405149577402884
Energy: 0.38615064875567723
Energy: 0.4270224727892814
Energy: 0.42182219660169973
Energy: 0.5477081181067828
Energy: 0.42416945945329004
Energy: 0.4051225665756586
Energy: 0.4072184235730615
Energy: 0.42420449382012543
Energy: 0.362978999800815
Energy: 0.4224050894180569
Energy: 0.42418552789922986
Energy: 0.4241594143712831
Energy: 0.4222728122578284
Energy: 0.4708525410699139
Energy: 0.4239971347956476
Energy: 0.4532887389384957
Energy: 0.3858964581174001
Energy: 0.3860333904129832
Energy: 0.4534527078790977
Energy: 0.4528961311962765
Energy: 0.4240319426273976
Energy: 0.4724120977045842
Energy: 0.36454931218311665
Energy: 0.38654375225262944
Energy: 0.4709593046879826
Energy: 0.3634578398567622
Energy: 0.3861327529759784
Energy: 0.4702302153264698
Energy: 0.42408983424611185
Energy: 0.42415654052486207
Energy: 0.4432268347576978
Energy: 0.44517473182704514
Energy: 0.42409490277042605

minimum gb energy = 0.33175805991345125 eV
minimum distance =  2.58528855390506 Angstroms
sigma value = 81


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

Energy: 0.08327371066765497
Energy: 0.10540486315612889
Energy: 0.08374875955683382
Energy: 0.0846845668856144
Energy: 0.10550022679395166
Energy: 0.08334012264042434
Energy: 0.10698225590345291
Energy: 0.08351398853148988
Energy: 0.08374661744003802
Energy: 0.1067088550380884
Energy: 0.08551791798309707
Energy: 0.08365092402075616
Energy: 0.10547077626721622
Energy: 0.083446569265793
Energy: 0.08360313843200697
Energy: 0.10547914380038895
Energy: 0.08375127415125094
Energy: 0.10586203657683825
Energy: 0.08468848534083036
Energy: 0.08351310300156312
Energy: 0.08353873165226032
Energy: 0.08579691516501697
Energy: 0.08345379615839849
Energy: 0.10630806837628269
Energy: 0.10597836609090347
Energy: 0.10534760234055035
Energy: 0.1054171145449452
Energy: 0.10658011823982938
Energy: 0.10529267636048902
Energy: 0.10618393983120916
Energy: 0.08370781718789082
Energy: 0.08378781063413687
Energy: 0.0835474701589676
Energy: 0.08493769128425747
Energy: 0.0837071058839923
Energy: 0.0834577717887754
Energy: 0.10561759559228237
Energy: 0.08369683505793608
Energy: 0.08373867441381011
Energy: 0.10543324768426858
Energy: 0.08717994839626671
Energy: 0.08370136094223797
Energy: 0.10540095539710716
Energy: 0.08340614097007217
Energy: 0.08346175722365554
Energy: 0.10539749889092365
Energy: 0.08345816916679426
Energy: 0.10617242893881075
Energy: 0.08390560103065314
Energy: 0.08362151166705874
Energy: 0.10680060020811916
Energy: 0.08458800988773833
Energy: 0.08353500933964393
Energy: 0.10734622164997114
Energy: 0.08342271209184321
Energy: 0.10533296078510541
Energy: 0.10571696051052036
Energy: 0.08346162618894842
Energy: 0.10526648371505037
Energy: 0.10555923763534307

minimum gb energy = 0.08327371066765497 eV
minimum distance =  2.83268153881021 Angstroms
sigma value = 3


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

Energy: 0.49141201098915777
Energy: 0.475010124220206
Energy: 0.476073072389478
Energy: 0.4488237425850964
Energy: 0.4556834090504837
Energy: 0.4493469887567677
Energy: 0.4612521934587006
Energy: 0.45204754045467654
Energy: 0.45187368785114224
Energy: 0.452420156954451
Energy: 0.45282292996721313
Energy: 0.4563910831014939
Energy: 0.46635664764806994
Energy: 0.4423906529590341
Energy: 0.4423232946700228
Energy: 0.4661462972832235
Energy: 0.42605109215131887
Energy: 0.45579956300438823
Energy: 0.4329081311948375
Energy: 0.4418349335618339
Energy: 0.4419954612481808
Energy: 0.4338418686150448
Energy: 0.394631853932723
Energy: 0.45583859797495585
Energy: 0.3950198416735239
Energy: 0.4520372378997893
Energy: 0.4564994300320677
Energy: 0.39509411118693016
Energy: 0.4528519884939097
Energy: 0.45622229228956324
Energy: 0.42919287520493393
Energy: 0.4626605368053133
Energy: 0.44327260158988085
Energy: 0.4249974856733385
Energy: 0.4481280408884093
Energy: 0.4238695517066597
Energy: 0.42828281135779483
Energy: 0.39556386671621635
Energy: 0.43219030145843884
Energy: 0.4271302587239517
Energy: 0.3970278241796573
Energy: 0.4589768049166556
Energy: 0.4329475435255592
Energy: 0.42404332713298515
Energy: 0.4237101205243172
Energy: 0.4329537816677193
Energy: 0.41274171681086114
Energy: 0.4064784249514311
Energy: 0.4270379986624263
Energy: 0.4231648996207636
Energy: 0.4431295672432514
Energy: 0.4342595202920437
Energy: 0.3721345787030267
Energy: 0.4432948098240071
Energy: 0.37270216367156267
Energy: 0.39575376950781105
Energy: 0.39566259595711845
Energy: 0.37251713794341584
Energy: 0.3971907416901326
Energy: 0.4066621302084302
Energy: 0.41472163973056336
Energy: 0.42454981852954593
Energy: 0.4242129260299495
Energy: 0.413666131272792
Energy: 0.4153068833813812
Energy: 0.4130168342249461
Energy: 0.3735639564798397
Energy: 0.42353904298818984
Energy: 0.42448930337852386
Energy: 0.37320539345593373
Energy: 0.416846773814499
Energy: 0.3729151990208407
Energy: 0.37176181765200256
Energy: 0.4072018834076148
Energy: 0.41359954165128826
Energy: 0.3719062651268948
Energy: 0.40734828696560826
Energy: 0.3716852010464112
Energy: 0.4112092911056548
Energy: 0.4196854952576359
Energy: 0.41248898014130236
Energy: 0.41289832952392547
Energy: 0.4202512393439705
Energy: 0.41352342481092497
Energy: 0.4093157310252157
Energy: 0.35785976612560316
Energy: 0.3576364284456641
Energy: 0.40695059071921175
Energy: 0.35901684520305405
Energy: 0.35750799905495806
Energy: 0.4069482508176387
Energy: 0.409058931350269
Energy: 0.40856058080031654
Energy: 0.4069648481679741
Energy: 0.40607285570825025
Energy: 0.40920662671901414
Energy: 0.3509840813991071
Energy: 0.4073475605745314
Energy: 0.40640783967709265
Energy: 0.35093411502086364
Energy: 0.407923200379151
Energy: 0.3508615954069119
Energy: 0.3508538023543843
Energy: 0.4053728550188592
Energy: 0.4080175281979224
Energy: 0.35090308769789996
Energy: 0.4053204470051678
Energy: 0.4175310288592802
Energy: 0.41967193321166735
Energy: 0.4169163228225101
Energy: 0.40605145375751783
Energy: 0.40531832754698405
Energy: 0.41852947001061114
Energy: 0.407599083229959
Energy: 0.40314497455828335
Energy: 0.35095729443628515
Energy: 0.3508890949571001
Energy: 0.40417554876700734
Energy: 0.3529790598268463
Energy: 0.35066740113379047
Energy: 0.406089319135809
Energy: 0.40658019959986863
Energy: 0.408586907417591
Energy: 0.40625520417640404
Energy: 0.4070306193319194
Energy: 0.40715347929201867
Energy: 0.35894041965029694
Energy: 0.4069154331602888
Energy: 0.4078838369125656
Energy: 0.35973322076758074
Energy: 0.406864355940023
Energy: 0.3576427803271748
Energy: 0.3588956469627028
Energy: 0.41355370353223075
Energy: 0.41384758952512196
Energy: 0.3589639216719481
Energy: 0.4122438115032487
Energy: 0.41239497012149573
Energy: 0.4094494694142747
Energy: 0.3721940910021154
Energy: 0.3720403341666677
Energy: 0.40914643622777
Energy: 0.3720977678620824
Energy: 0.408480968473938
Energy: 0.4172756159555021
Energy: 0.3721161336272978
Energy: 0.3723233371951144
Energy: 0.41754448129377053
Energy: 0.37222361928497744
Energy: 0.37253185295634617
Energy: 0.41629458788653056
Energy: 0.4164336339331822
Energy: 0.416446375978786
Energy: 0.4163745643824738
Energy: 0.41634615604105524
Energy: 0.42467081573112453
Energy: 0.3956778788242026
Energy: 0.41585379453711446
Energy: 0.4163057063331473
Energy: 0.3965404606339618
Energy: 0.42190447279511056
Energy: 0.39552763279312403
Energy: 0.38178134160328886
Energy: 0.43414944244359155
Energy: 0.43344246087564325
Energy: 0.38159692525140587
Energy: 0.4012250350914983
Energy: 0.43313477467664985
Energy: 0.4196553137143867
Energy: 0.4325662375122229
Energy: 0.4215278640478326
Energy: 0.417386574650385
Energy: 0.43272744704253974
Energy: 0.41638809404386196
Energy: 0.39643688146711215
Energy: 0.42532000841047496
Energy: 0.4225492732893152
Energy: 0.39669204494009525
Energy: 0.42808644944003377
Energy: 0.422614792213981
Energy: 0.42360601722394187
Energy: 0.43051372895032824
Energy: 0.4301359227126625
Energy: 0.4236230745860438
Energy: 0.41653094698560195
Energy: 0.4300172399702045
Energy: 0.4666945129741472
Energy: 0.42976829255403315
Energy: 0.4540349907051355
Energy: 0.4669729210660452
Energy: 0.41060118279493535
Energy: 0.45668886223072647
Energy: 0.4084202637882647
Energy: 0.43279659609236365
Energy: 0.43254475497423744
Energy: 0.40838186339487365
Energy: 0.43442296754882
Energy: 0.4557216778665482

minimum gb energy = 0.35066740113379047 eV
minimum distance =  2.66544930264948 Angstroms
sigma value = 67


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

Energy: 0.5184526426632624
Energy: 0.5497473446955736
Energy: 0.5282560447693174
Energy: 0.5188182644795393
Energy: 0.6652900448177169
Energy: 0.530114993390203
Energy: 0.5303744859179002
Energy: 0.5238602735676888
Energy: 0.5165912488072778
Energy: 0.5304388252666591
Energy: 0.5180639224631365
Energy: 0.5224375350947784
Energy: 0.5336475124521727
Energy: 0.501497794265592
Energy: 0.5210596522652988
Energy: 0.5324509494348042
Energy: 0.5147037425507761
Energy: 0.5216298149910302
Energy: 0.47830487129301025
Energy: 0.521002855614108
Energy: 0.52105834172022
Energy: 0.4790256506353081
Energy: 0.48209860887407324
Energy: 0.5218412293908217
Energy: 0.47842532902380747
Energy: 0.5208866022288545
Energy: 0.5257399749657513
Energy: 0.4783952247104595
Energy: 0.5395897565026714
Energy: 0.5220693898295075
Energy: 0.48389662694208313
Energy: 0.5350230430368621
Energy: 0.5006783806503206
Energy: 0.5010423536196741
Energy: 0.47844424213888304
Energy: 0.5017151273933879
Energy: 0.4791766304304207
Energy: 0.47570834073670243
Energy: 0.48581512689014367
Energy: 0.47892117314560134
Energy: 0.4394407015767168
Energy: 0.48399628188447646
Energy: 0.48170389872732516
Energy: 0.4821189561117292
Energy: 0.4859159667746954
Energy: 0.4824188499009152
Energy: 0.4815744148341068
Energy: 0.4832969395106907
Energy: 0.48620233679749614
Energy: 0.5014662785046144
Energy: 0.5053634721280535
Energy: 0.4941853530264429
Energy: 0.4358181606323319
Energy: 0.5039178662096239
Energy: 0.48632186254068577
Energy: 0.43835320067531547
Energy: 0.43559892108880055
Energy: 0.4870392835124727
Energy: 0.43699594219335386
Energy: 0.4352318269938261
Energy: 0.4849118185912834
Energy: 0.4856813441139945
Energy: 0.48482089734428796
Energy: 0.4821916308072166
Energy: 0.49165103895779083
Energy: 0.48576067392324207
Energy: 0.41603376316142604
Energy: 0.4842109065984944
Energy: 0.4831771019866612
Energy: 0.4160654593400272
Energy: 0.4795153148310488
Energy: 0.41618812930977556
Energy: 0.41998692805392474
Energy: 0.480177949722081
Energy: 0.47900487208274783
Energy: 0.4163655742025203
Energy: 0.47669086039866976
Energy: 0.4160993502292027
Energy: 0.47154559811862856
Energy: 0.4859840904606639
Energy: 0.47778473139693556
Energy: 0.47657808304941585
Energy: 0.4838673282940053
Energy: 0.4787461566146357
Energy: 0.47209424707104625
Energy: 0.41884617744955477
Energy: 0.41605857180044986
Energy: 0.4725920296919718
Energy: 0.41793448757744855
Energy: 0.41610267858145417
Energy: 0.47210853320302565
Energy: 0.4868369760164675
Energy: 0.4843603539096512
Energy: 0.48506376763505726
Energy: 0.45255689106510566
Energy: 0.48317335140971474
Energy: 0.437952101587977
Energy: 0.48003529721494587
Energy: 0.4779206990739507
Energy: 0.4383320155879852
Energy: 0.47559532615250844
Energy: 0.43558044608126045
Energy: 0.43693807159341363
Energy: 0.4939790005087159
Energy: 0.5031100750581079
Energy: 0.43684585603980414
Energy: 0.45382553432728007
Energy: 0.4767321603948448
Energy: 0.47557208803903633
Energy: 0.5122056333370361
Energy: 0.4872440494195179
Energy: 0.487238393320666
Energy: 0.5153498077386708
Energy: 0.4873186635110095
Energy: 0.47553199423659626
Energy: 0.48120088910614617
Energy: 0.4855085608126359
Energy: 0.47508239947514147
Energy: 0.4824539726611889
Energy: 0.483858321044549
Energy: 0.4729189399263563
Energy: 0.5133338249972377
Energy: 0.513515648589173
Energy: 0.47337099811116834
Energy: 0.45940964729136197
Energy: 0.5187663965256573
Energy: 0.5334021190348943
Energy: 0.48690700520644237
Energy: 0.5135127865586374
Energy: 0.532347030675937
Energy: 0.49923337480836455
Energy: 0.5135284374036746
Energy: 0.5051526738310427
Energy: 0.4793625981848714
Energy: 0.48427443517427743
Energy: 0.505119119447527
Energy: 0.48139890659003604
Energy: 0.5224695272708518

minimum gb energy = 0.41603376316142604 eV
minimum distance =  2.61083223291739 Angstroms
sigma value = 33


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

Energy: 0.6632040297363649
Energy: 0.6268696863177657
Energy: 0.6115117513361131
Energy: 0.6654175688299716
Energy: 0.6032559056680912
Energy: 0.5575110829723426
Energy: 0.5588090170332016
Energy: 0.5451600179871439
Energy: 0.5444489891999698
Energy: 0.5589480455279724
Energy: 0.5607968486510241
Energy: 0.5454243398738033
Energy: 0.5603163838378024
Energy: 0.5520567084934692
Energy: 0.5521720781426276
Energy: 0.5607602604274988
Energy: 0.5473742882587324
Energy: 0.5434590975353879
Energy: 0.494727528140553
Energy: 0.5521883206329317
Energy: 0.5521478764811084
Energy: 0.49528928833273933
Energy: 0.49762749193841227
Energy: 0.5521133956582667
Energy: 0.4948696819446174
Energy: 0.5455764194303513
Energy: 0.5448833391880111
Energy: 0.4948913477538395
Energy: 0.5601390654344477
Energy: 0.5531986591298379
Energy: 0.5447487005722955
Energy: 0.5726912162811719
Energy: 0.5676576249274511
Energy: 0.549196030677238
Energy: 0.5877978315412575
Energy: 0.5297029463053794
Energy: 0.49487217112796766
Energy: 0.5076939171256033
Energy: 0.5542370615013297
Energy: 0.49510930575316847
Energy: 0.4980352528013256
Energy: 0.4910775413824073
Energy: 0.4960044961475462
Energy: 0.5302096652467224
Energy: 0.529908217466682
Energy: 0.4951558495217152
Energy: 0.5298693520137081
Energy: 0.4944171997223624
Energy: 0.5156533622607424
Energy: 0.5298684654245709
Energy: 0.5324750237626154
Energy: 0.526671615863365
Energy: 0.45494216100993645
Energy: 0.5299905378662066
Energy: 0.5139384119895348
Energy: 0.4554278861498582
Energy: 0.45560144468424674
Energy: 0.514879446142393
Energy: 0.4558133813950852
Energy: 0.45522177329342944
Energy: 0.5146107051114012
Energy: 0.5185183872237132
Energy: 0.5196551925277726
Energy: 0.5174170358153468
Energy: 0.5163212209606207
Energy: 0.5190957621857911
Energy: 0.45532233266063177
Energy: 0.5176673213862003
Energy: 0.5209255148346222
Energy: 0.45534594271886497
Energy: 0.514888164782925
Energy: 0.4552647144701136
Energy: 0.4553785048472906
Energy: 0.5314004349316724
Energy: 0.533121431722466
Energy: 0.45539475365376736
Energy: 0.5145642833712587
Energy: 0.45501326161351785
Energy: 0.519045497437201
Energy: 0.533244459752113
Energy: 0.530503383047161
Energy: 0.523576201648913
Energy: 0.536036156250981
Energy: 0.5165139793711585
Energy: 0.5175133498357477
Energy: 0.4951011959368365
Energy: 0.4940545979402241
Energy: 0.4883804939298674
Energy: 0.4954600713209902
Energy: 0.5036042076534523
Energy: 0.4932483395500696
Energy: 0.5406634383288862
Energy: 0.5405898283230869
Energy: 0.504077853781157
Energy: 0.46348264300295106
Energy: 0.5529353611685622
Energy: 0.5587713118912867
Energy: 0.5405951099653261
Energy: 0.5405610173862759
Energy: 0.5587657135343966
Energy: 0.5402142195899947
Energy: 0.5334585563214241
Energy: 0.5592082680050572
Energy: 0.4949923310563886
Energy: 0.5447371041267995
Energy: 0.5589632284146921
Energy: 0.4948793173021833
Energy: 0.5416911197644516
Energy: 0.5682372462832213
Energy: 0.5010338483185217
Energy: 0.5909918901150076
Energy: 0.5685383981512873
Energy: 0.5730645282738075
Energy: 0.5331413368889731
Energy: 0.5236578583496954
Energy: 0.54604163486025
Energy: 0.5446383833817272
Energy: 0.5237148711394342
Energy: 0.5602161487621748
Energy: 0.5449349672537811
Energy: 0.559090237135834
Energy: 0.5521458666302826
Energy: 0.5520418289498957
Energy: 0.5597751625253131
Energy: 0.49780351807219975
Energy: 0.5526618423243821
Energy: 0.4948578595335672
Energy: 0.5520696342437483
Energy: 0.5521987252919855
Energy: 0.49530985765423396
Energy: 0.5477283472336357
Energy: 0.5520500916317796
Energy: 0.495029220082534
Energy: 0.5452477047394944
Energy: 0.5400018638237785
Energy: 0.4948627084147129
Energy: 0.5607229581734906
Energy: 0.5532117488989995
Energy: 0.5443617209718066
Energy: 0.5865700660347247
Energy: 0.5678177575854365
Energy: 0.5445712883114029
Energy: 0.586329685284028
Energy: 0.5226311242193397
Energy: 0.49547060013832245
Energy: 0.5062510287531807
Energy: 0.5534718956679137
Energy: 0.4945159828916356
Energy: 0.4979906761983083
Energy: 0.554670321569431
Energy: 0.49464349324657275
Energy: 0.5302637901557457
Energy: 0.5300582961675518
Energy: 0.4953279084151179
Energy: 0.5300056035195994
Energy: 0.49444506649252234
Energy: 0.5147895342639313
Energy: 0.5304895814377992
Energy: 0.5324789215919091
Energy: 0.5378283621454439
Energy: 0.4551356222984263
Energy: 0.530262087424095
Energy: 0.5140146821737455
Energy: 0.45548551144314486
Energy: 0.4554583462099194
Energy: 0.5150605959939341
Energy: 0.45635931952243675
Energy: 0.4551614262743044
Energy: 0.5149544791403127
Energy: 0.48899503497440305
Energy: 0.5179701741841332
Energy: 0.517868875886851
Energy: 0.5152948326392969
Energy: 0.5212461495085707
Energy: 0.45512026999967947
Energy: 0.5180222229659728
Energy: 0.5178161671700914
Energy: 0.45516060410809656
Energy: 0.5155393658099012
Energy: 0.4547284997762572
Energy: 0.45530074296035555
Energy: 0.5223431010014981
Energy: 0.49587869767388876
Energy: 0.45531663668046884
Energy: 0.4871826465610602
Energy: 0.45514385635827626
Energy: 0.5202914964013452
Energy: 0.5327452311325257
Energy: 0.5323277112471555
Energy: 0.48786905757757704
Energy: 0.5358942317487393
Energy: 0.519512061154448
Energy: 0.4872700224972904
Energy: 0.4949330437956425
Energy: 0.4947226408438056
Energy: 0.48787120826694547
Energy: 0.49527890854379103
Energy: 0.5036173834547082
Energy: 0.49956210225158915
Energy: 0.4632930762414988
Energy: 0.5528877598601935
Energy: 0.4998506072680227
Energy: 0.4634476784949112
Energy: 0.5533955509991413
Energy: 0.5587100566394645
Energy: 0.5404371806369058
Energy: 0.5406132027159232
Energy: 0.558649550394587
Energy: 0.5236204142089875
Energy: 0.5337383026829359
Energy: 0.5602957144546152
Energy: 0.4944772196944621
Energy: 0.4951023002783162
Energy: 0.5599701376943034
Energy: 0.49445706806590456
Energy: 0.5403590231422669
Energy: 0.5681895446416526
Energy: 0.5588844851167385
Energy: 0.5780312629099923
Energy: 0.5624740748454664
Energy: 0.5478737282605846
Energy: 0.5343753953938701

minimum gb energy = 0.4547284997762572 eV
minimum distance =  2.5785727548477 Angstroms
sigma value = 41


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

Energy: 0.6314248981575903
Energy: 0.6090979275241857
Energy: 0.6446594202845971
Energy: 0.6330115242477682
Energy: 0.6088692148425464
Energy: 0.6455787739099633
Energy: 0.5837588255339174
Energy: 0.5665678485861559
Energy: 0.5663671514455203
Energy: 0.5837358834861597
Energy: 0.5853037812689472
Energy: 0.5665747722783059
Energy: 0.5831446051360731
Energy: 0.5863540631236202
Energy: 0.5861301120557754
Energy: 0.5836945147456545
Energy: 0.5645908649912524
Energy: 0.5658606640006154
Energy: 0.5121819906309562
Energy: 0.5851782280960885
Energy: 0.5861406238606467
Energy: 0.5125789275492759
Energy: 0.5107203409228132
Energy: 0.5671045934738039
Energy: 0.5118880209113615
Energy: 0.5863297473636344
Energy: 0.5668023561115252
Energy: 0.5117845896122766
Energy: 0.5832695954537703
Energy: 0.5882178585647162
Energy: 0.5791675646499341
Energy: 0.6014312704920884
Energy: 0.6039810742942329
Energy: 0.5785033290365937
Energy: 0.6213289079958036
Energy: 0.6038347153794853
Energy: 0.5118388253647002
Energy: 0.5878377530966589
Energy: 0.5873737141051352
Energy: 0.5120020197188938
Energy: 0.585699752743304
Energy: 0.5121253322978937
Energy: 0.5134185592513534
Energy: 0.5748481107357027
Energy: 0.5336928474805342
Energy: 0.5141561752505913
Energy: 0.5810403064882954
Energy: 0.5122635869994581
Energy: 0.5623093344857495
Energy: 0.5831678716019267
Energy: 0.5743160051989972
Energy: 0.563028017322535
Energy: 0.5338132307638083
Energy: 0.5739340455010256
Energy: 0.5365127161936595
Energy: 0.5149256521067007
Energy: 0.5125773949896165
Energy: 0.5359323635064894
Energy: 0.5124026753951789
Energy: 0.5363253039915276
Energy: 0.5291835760671137
Energy: 0.5154947674592599
Energy: 0.5869940232321946
Energy: 0.5296948026218418
Energy: 0.4886439747179834
Energy: 0.586589792616616
Energy: 0.5829754210356909
Energy: 0.571929530988353
Energy: 0.5551808373288974
Energy: 0.5829452448059198
Energy: 0.5875734624940468
Energy: 0.5556815502778304
Energy: 0.5866046813512438
Energy: 0.566364177034626
Energy: 0.5661156483273393
Energy: 0.5864364236151449
Energy: 0.5671876551097956
Energy: 0.5670936040735869
Energy: 0.5906500873686275
Energy: 0.582311160315816
Energy: 0.628734031681473
Energy: 0.5912256679245723
Energy: 0.5657713500533005
Energy: 0.6298292452391121

minimum gb energy = 0.4886439747179834 eV
minimum distance =  2.60341711696316 Angstroms
sigma value = 11


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

Energy: 0.7931929079877077
Energy: 0.5671193515812964
Energy: 0.5808490587947872
Energy: 0.7944141341284054
Energy: 0.5671216537715172
Energy: 0.5794772160102531
Energy: 0.6068159277766557
Energy: 0.5424474278640767
Energy: 0.5405409972288514
Energy: 0.6069291707941117
Energy: 0.5425257401224468
Energy: 0.5567941020128137
Energy: 0.6064598935253859
Energy: 0.5566728121507962
Energy: 0.5564858364661925
Energy: 0.6070349186806588
Energy: 0.5399843826492212
Energy: 0.6139005807394985
Energy: 0.5732711781551335
Energy: 0.5439599320815922
Energy: 0.5565732638932961
Energy: 0.5739875983992578
Energy: 0.5281821039321051
Energy: 0.5945306678902982
Energy: 0.577972709700775
Energy: 0.542688389695293
Energy: 0.5424390217206476
Energy: 0.5776259736129271
Energy: 0.5428935097507526
Energy: 0.5561904210251004
Energy: 0.6135541164320741
Energy: 0.5695687177880112
Energy: 0.5583914574339339
Energy: 0.5775572627231541
Energy: 0.5690318986152605
Energy: 0.6071013457668634
Energy: 0.5691681586031844
Energy: 0.5848910979072093
Energy: 0.5978735333074691
Energy: 0.5691647089215798
Energy: 0.5808465972428459
Energy: 0.5694142983552666
Energy: 0.5427240857210806
Energy: 0.5781636753133073
Energy: 0.5736391384268581
Energy: 0.5427833797202234
Energy: 0.578064202737787
Energy: 0.5426060333479286
Energy: 0.5373285792891257
Energy: 0.6067927499501976
Energy: 0.597484686698188
Energy: 0.5373087348271959
Energy: 0.5726950323523533
Energy: 0.5300642155784329
Energy: 0.5471687241757922
Energy: 0.6058969288544075
Energy: 0.6063568632497344
Energy: 0.5472529966301777
Energy: 0.6073601697022837
Energy: 0.5302433617590467
Energy: 0.5430809367061112
Energy: 0.5710388113724272
Energy: 0.5567007399040453
Energy: 0.5428550425854496
Energy: 0.5703925009627618
Energy: 0.5425802118144939
Energy: 0.5524341184790609
Energy: 0.5554442099090018
Energy: 0.5715987112557125
Energy: 0.5509105816025601
Energy: 0.7550258995847173
Energy: 0.5933820394326502
Energy: 0.5405464049623693
Energy: 0.5817414429341231
Energy: 0.5888271520911634
Energy: 0.5406837691272988
Energy: 0.6071507787666699
Energy: 0.5564757849326618
Energy: 0.5550037473391626
Energy: 0.6059931300975445
Energy: 0.6063464567370901
Energy: 0.558232151833311
Energy: 0.6060255109844874
Energy: 0.5731210147900329
Energy: 0.5287372704697645
Energy: 0.5742501443553628
Energy: 0.574178060192056
Energy: 0.52879417158554
Energy: 0.5779151045336691
Energy: 0.572788924919277
Energy: 0.5296091357581519
Energy: 0.5897423310623446
Energy: 0.5717949230656908
Energy: 0.5296972825714421
Energy: 0.5792029542318418
Energy: 0.5286392844216331
Energy: 0.5292119793384414
Energy: 0.5788068646970943
Energy: 0.609956623365959
Energy: 0.5290527696401982
Energy: 0.5817679405536317
Energy: 0.609923510726574
Energy: 0.6488553074931552
Energy: 0.5709106811323046
Energy: 0.5709163904978702
Energy: 0.6494934647922237
Energy: 0.552104993074213
Energy: 0.5622366923707767
Energy: 0.5607165184827404
Energy: 0.5708518076933055
Energy: 0.5569957793872687
Energy: 0.5606653451077328
Energy: 0.5715299843853726
Energy: 0.5888709007164086
Energy: 0.5752462489848275
Energy: 0.5291611126429115
Energy: 0.5506763696592758
Energy: 0.5755869293132571
Energy: 0.5432528807601605
Energy: 0.5875050631564467
Energy: 0.5709162958682664
Energy: 0.5296262685174804
Energy: 0.5624335531995395
Energy: 0.5716075322484583
Energy: 0.5294340699268352
Energy: 0.5713177406618218
Energy: 0.5415648459365654
Energy: 0.5710542194697229
Energy: 0.5708507362449031
Energy: 0.5416095762301751
Energy: 0.5725733598079834
Energy: 0.5593685735154539
Energy: 0.540095027575466
Energy: 0.5712472147233317
Energy: 0.6053908752230848
Energy: 0.5397457082584929
Energy: 0.5758777269038746
Energy: 0.5705288579243695
Energy: 0.5708754242977696
Energy: 0.5566473917699793
Energy: 0.5847520364461568
Energy: 0.5711223827658151
Energy: 0.5564924707005908
Energy: 0.5831038637765719
Energy: 0.571022778895151
Energy: 0.5816443913347218
Energy: 0.5640203201862789
Energy: 0.5710493877175031
Energy: 0.5734992698550728
Energy: 0.5627346766929812
Energy: 0.5786718429776474
Energy: 0.5292558764755285
Energy: 0.6101298783961294
Energy: 0.5798195945414288
Energy: 0.5291975716466316
Energy: 0.6100187908814767
Energy: 0.5782476955232492
Energy: 0.5290610814039651
Energy: 0.5288106992089003
Energy: 0.5781748227790403
Energy: 0.5304426624053518
Energy: 0.5290036252779505
Energy: 0.5781187102583908
Energy: 0.5291133773793583
Energy: 0.5783893242745104
Energy: 0.5792394097835961
Energy: 0.528746689560441
Energy: 0.5729924904873456
Energy: 0.6058978514657765
Energy: 0.581722557559894
Energy: 0.5774796381550039
Energy: 0.6060763993167255
Energy: 0.5680378226882142
Energy: 0.5769171345691235
Energy: 0.6065526709208917
Energy: 0.5406708223609721
Energy: 0.5564036042863988
Energy: 0.6067435496377483
Energy: 0.5408164164688071
Energy: 0.5875253145155874
Energy: 0.5301401228059414
Energy: 0.5427213098241627
Energy: 0.5866871528247203
Energy: 0.5301131436521835
Energy: 0.5511608418049478
Energy: 0.5939756472293932

minimum gb energy = 0.5281821039321051 eV
minimum distance =  2.54269295050691 Angstroms
sigma value = 57


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

Energy: 0.7317243951563633
Energy: 0.5106178966596888
Energy: 0.5145074811504946
Energy: 0.7328103059210038
Energy: 0.5104274658104238
Energy: 0.5152909287562933
Energy: 0.5341873038997416
Energy: 0.5343324467477736
Energy: 0.5113160747145311
Energy: 0.5342515433384838
Energy: 0.5341041728053849
Energy: 0.510164863507968
Energy: 0.5341171085153683
Energy: 0.507616090684786
Energy: 0.5280555526359354
Energy: 0.5348397982227856
Energy: 0.5157956571428891
Energy: 0.5113130235027912
Energy: 0.5108981399283105
Energy: 0.5114708562791807
Energy: 0.5146098981685338
Energy: 0.5116030280356593
Energy: 0.5160252170991592
Energy: 0.5116575660051147
Energy: 0.52134279519636
Energy: 0.5336573782796942
Energy: 0.5115886630324143
Energy: 0.5205113081146329
Energy: 0.5357238718282897
Energy: 0.5107648293874516
Energy: 0.5203971879813523
Energy: 0.5230278650815608
Energy: 0.5211538695378705
Energy: 0.5202424699373732
Energy: 0.5229438911276821
Energy: 0.5365024053334476
Energy: 0.5124494917724661
Energy: 0.5142218846733231
Energy: 0.5202288095677915
Energy: 0.5107809401577437
Energy: 0.5142012852235338
Energy: 0.5117068328148332
Energy: 0.5358449513818463
Energy: 0.5200603049634696
Energy: 0.5107090164326987
Energy: 0.5367453295964512
Energy: 0.5214556186340245
Energy: 0.5110158956634046
Energy: 0.4985274382849857
Energy: 0.5115448864573003
Energy: 0.5142531719663819
Energy: 0.498503323855684
Energy: 0.5137705473560582
Energy: 0.5141564890548711
Energy: 0.4983605089905767
Energy: 0.5343116581674988
Energy: 0.5143992608478719
Energy: 0.4983111454022458
Energy: 0.5353237863458642
Energy: 0.5141866307372952
Energy: 0.5356425520211876
Energy: 0.5213870840983027
Energy: 0.5144435992393757
Energy: 0.5365145456991146
Energy: 0.5339924017344646
Energy: 0.5109595834458701
Energy: 0.5116988698929489
Energy: 0.624764578242656
Energy: 0.537667059332944
Energy: 0.5117746716250398
Energy: 0.623862201623766
Energy: 0.5112972630755508
Energy: 0.5145787643974935
Energy: 0.5344571670236742
Energy: 0.5109905378728392
Energy: 0.5102030226977615
Energy: 0.5337768575948985
Energy: 0.5108441444945224
Energy: 0.6288767798929246
Energy: 0.5346358025510519
Energy: 0.5349096205597637
Energy: 0.629900448377672
Energy: 0.5355152504771133
Energy: 0.5125940248857885
Energy: 0.5212536032187591
Energy: 0.5140947625418509
Energy: 0.5107424545086148
Energy: 0.5206021291952468
Energy: 0.5166658994053098
Energy: 0.5314839477605158
Energy: 0.5341528404323592
Energy: 0.514310130898215
Energy: 0.513667125009064
Energy: 0.5349512089463807
Energy: 0.5165218828562369
Energy: 0.5123266004623667
Energy: 0.4984418483190858
Energy: 0.5101671346617902
Energy: 0.5111847484863893
Energy: 0.49837944697554765
Energy: 0.5128983117789113
Energy: 0.5230064600366514

minimum gb energy = 0.4983111454022458 eV
minimum distance =  2.60134566993936 Angstroms
sigma value = 9


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

Energy: 0.8446164676703818
Energy: 0.5810072060060972
Energy: 0.5708589728813845
Energy: 0.5691366128343449
Energy: 0.5801209613181757
Energy: 0.5690607643567702
Energy: 0.5868237765845511
Energy: 0.5722383964194078
Energy: 0.5758078240511272
Energy: 0.586844266134822
Energy: 0.5702209777161431
Energy: 0.5638201481106031
Energy: 0.5899945854829153
Energy: 0.5673884576375213
Energy: 0.5697160239335031
Energy: 0.5882684208096937
Energy: 0.6198068149350258
Energy: 0.5658493407032693
Energy: 0.5615596420325767
Energy: 0.5639194096848198
Energy: 0.5627693994835373
Energy: 0.5621431576954217
Energy: 0.5684893020498292
Energy: 0.5626651217757925
Energy: 0.57331548416313
Energy: 0.5682589115309653
Energy: 0.5626515244357341
Energy: 0.5722146982964227
Energy: 0.5692131003500588
Energy: 0.5697648711286339
Energy: 0.5598536532995233
Energy: 0.5650186749262666
Energy: 0.5607301445260933
Energy: 0.5607909337878011
Energy: 0.5624075659922204
Energy: 0.5602277332114426
Energy: 0.5617048004303953
Energy: 0.6106979669651302
Energy: 0.563276743569806
Energy: 0.5618864616228566
Energy: 0.6628956171385619
Energy: 0.5613128754654135
Energy: 0.5598068375797285
Energy: 0.5631515280948611
Energy: 0.5608792789065896
Energy: 0.5607256988597118
Energy: 0.551430329600973
Energy: 0.5610987314378555
Energy: 0.567769126056668
Energy: 0.559964992611432
Energy: 0.5659343918546452
Energy: 0.5677810688142553
Energy: 0.5598028763067551
Energy: 0.5694652406701456
Energy: 0.5674100141304664
Energy: 0.5605915989324101
Energy: 0.5723464037402157
Energy: 0.5695059458495708
Energy: 0.5599477475365018
Energy: 0.5634491524914228
Energy: 0.5602459468532764
Energy: 0.5622735266029427
Energy: 0.5601467584196357
Energy: 0.5608202296739607
Energy: 0.5632399419684632
Energy: 0.561837169874518
Energy: 0.5694980354151381
Energy: 0.573353721146007
Energy: 0.5709627703596926
Energy: 0.5704653740796748
Energy: 0.5716807133306626
Energy: 0.5763132224282482
Energy: 0.6649422813523258
Energy: 0.5597023354323021
Energy: 0.5635908756071754
Energy: 0.6649572490548273
Energy: 0.560729901870928
Energy: 0.5592839791795615
Energy: 0.5852013257427533
Energy: 0.5810293859680706
Energy: 0.5680750104706652
Energy: 0.5853075137558448
Energy: 0.587047656700656
Energy: 0.5626250828643675
Energy: 0.5685339647604749
Energy: 0.5600590212205526
Energy: 0.5607708469573259
Energy: 0.569480347186415
Energy: 0.5603371423844664
Energy: 0.5681322738591678
Energy: 0.5738171846802377
Energy: 0.5627256832111622
Energy: 0.5591331355204147
Energy: 0.5671298444205984
Energy: 0.5818609560561094
Energy: 0.558768914732514
Energy: 0.5732258211780452
Energy: 0.5734091039584247
Energy: 0.5631672850562581
Energy: 0.5736595977826461
Energy: 0.5882051583955761
Energy: 0.5630383909057074
Energy: 0.6221347156934213
Energy: 0.5713186763986744
Energy: 0.5672627638699566
Energy: 0.620165323899414
Energy: 0.5684734608236297
Energy: 0.5746386804974118
Energy: 0.5710767523832376
Energy: 0.5644644742227144
Energy: 0.5637641662753099
Energy: 0.5715418973757036
Energy: 0.5783815635841785
Energy: 0.5638204371251874
Energy: 0.5865803898303233
Energy: 0.571753104071806
Energy: 0.5634268095534121
Energy: 0.5870971030985742
Energy: 0.5839778123068828
Energy: 0.5633660327943453
Energy: 0.5506717904823862
Energy: 0.5765812777082711
Energy: 0.5741170272942847
Energy: 0.5506522614691417
Energy: 0.5694884453916187
Energy: 0.5744865968075842

minimum gb energy = 0.5506522614691417 eV
minimum distance =  2.56979721691347 Angstroms
sigma value = 27


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

Energy: 0.577646030021644
Energy: 0.5733928195311608
Energy: 0.5433255700666834
Energy: 0.5375212236488643
Energy: 0.7682870651118905
Energy: 0.5785379635226734
Energy: 0.6077743704811057
Energy: 0.5667941117179212
Energy: 0.5804883622869985
Energy: 0.5638080768046513
Energy: 0.5769461044654444
Energy: 0.6046452976185203
Energy: 0.6086188757824287
Energy: 0.6094503415424821
Energy: 0.5678453970114034
Energy: 0.5787492400661611
Energy: 0.5530310647295489
Energy: 0.5916284750931852
Energy: 0.5943352376972235
Energy: 0.5717341938889897
Energy: 0.6051918263960423
Energy: 0.5929598232937148
Energy: 0.6099151074983891
Energy: 0.5712430881877316
Energy: 0.568565980938309
Energy: 0.6068154952911716
Energy: 0.5796696077383834
Energy: 0.5688899512691287
Energy: 0.595038556942618
Energy: 0.6118477533662536
Energy: 0.5972495527193449
Energy: 0.5786903018833207
Energy: 0.5774368784649336
Energy: 0.5909889503695633
Energy: 0.5840422004155743
Energy: 0.5832999038008602
Energy: 0.5947675309326289
Energy: 0.5415419865363154
Energy: 0.5367517054776672
Energy: 0.5971962677739723
Energy: 0.5399282430230326
Energy: 0.5396457687849313
Energy: 0.6073102240557888
Energy: 0.5620001393162828
Energy: 0.5954623247261094
Energy: 0.607931526060743
Energy: 0.539417984107399
Energy: 0.5960082038097432
Energy: 0.5986145062821681
Energy: 0.5929489339999832
Energy: 0.5769957266822869
Energy: 0.5895229893192652
Energy: 0.5943411459444429
Energy: 0.5758757306289761
Energy: 0.5979613243600057
Energy: 0.5996955142015113
Energy: 0.5868512104793835
Energy: 0.6274704501272457
Energy: 0.5972879256462119
Energy: 0.588941424434601
Energy: 0.616905838846698
Energy: 0.5991901198538695
Energy: 0.615146690128759
Energy: 0.6172656366559627
Energy: 0.5622594968235564
Energy: 0.6123949407924177
Energy: 0.5872176927196169
Energy: 0.5856717144497786
Energy: 0.576116049239353
Energy: 0.5824300686487951
Energy: 0.5916510475829926
Energy: 0.5777697619114947
Energy: 0.5412438728338442
Energy: 0.589215666967251
Energy: 0.538833030197117
Energy: 0.5363910564042089
Energy: 0.5940600154956146
Energy: 0.5397697480040492
Energy: 0.5488164474162186
Energy: 0.6004577913929298
Energy: 0.6066345868452754
Energy: 0.5495368434630296
Energy: 0.6109022292938123
Energy: 0.5611519704573346
Energy: 0.589071135027313
Energy: 0.5759614430126093
Energy: 0.5758855346510932
Energy: 0.5847323597165277
Energy: 0.5932561780282019
Energy: 0.5778511833305852
Energy: 0.5977582858139272
Energy: 0.5951151118563603
Energy: 0.5946425731685485
Energy: 0.5969800636562419
Energy: 0.613202775752581
Energy: 0.5946967462302681
Energy: 0.5518730186402735
Energy: 0.6145305950705986
Energy: 0.611668267643408
Energy: 0.5519072196453157
Energy: 0.6170296287137953
Energy: 0.6098939764287522
Energy: 0.58059577243414
Energy: 0.5797213538287609
Energy: 0.5748176658665105
Energy: 0.5804923701742184
Energy: 0.5824839376965598
Energy: 0.577554509470991
Energy: 0.5897838512176592
Energy: 0.5561746277622063
Energy: 0.5637571375810834
Energy: 0.5905361954637875
Energy: 0.5366887682573763
Energy: 0.5618168843488874
Energy: 0.6079461395346704
Energy: 0.5562594668614527
Energy: 0.5636592007883982
Energy: 0.6015886470642253
Energy: 0.5366519682886268
Energy: 0.5619217739380866
Energy: 0.5992001122488942
Energy: 0.584034558798103
Energy: 0.57604270825991
Energy: 0.5879511680689381
Energy: 0.5833825388041947
Energy: 0.575591264619801
Energy: 0.5640924207948157
Energy: 0.5980904020011978
Energy: 0.6025318724959109
Energy: 0.5643272642181194
Energy: 0.6026894156382737
Energy: 0.5976544237733062
Energy: 0.6174975452711753
Energy: 0.5719809758748122
Energy: 0.6242164772831584
Energy: 0.6270983372556065
Energy: 0.5998979837405896
Energy: 0.5783495436106422
Energy: 0.6071584363231932
Energy: 0.6002007962705418
Energy: 0.5705334747860612
Energy: 0.5744516243504322
Energy: 0.556493339229442
Energy: 0.5959338858570119
Energy: 0.5838990881006277
Energy: 0.5591345804106865
Energy: 0.568516077171142
Energy: 0.5498210572164909
Energy: 0.5566966070741264
Energy: 0.5817305782755451

minimum gb energy = 0.5363910564042089 eV
minimum distance =  2.57926083192519 Angstroms
sigma value = 19


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

Energy: 0.8047574901493402
Energy: 0.630071149140281
Energy: 0.6067198533497014
Energy: 0.7020434104654453
Energy: 0.630100272840912
Energy: 0.607126416764118
Energy: 0.6297688539158682
Energy: 0.5743455831061062
Energy: 0.5731261148763118
Energy: 0.6291216067542046
Energy: 0.5741286763070307
Energy: 0.5865342329221086
Energy: 0.5771290136786826
Energy: 0.5407025336240706
Energy: 0.5407834958474137
Energy: 0.577175853981135
Energy: 0.5409843016090845
Energy: 0.5902795025647427
Energy: 0.5732613942974302
Energy: 0.5865668939033697
Energy: 0.587105364284593
Energy: 0.5725898327308628
Energy: 0.5746261125339587
Energy: 0.5866876670566704
Energy: 0.5475240117118233
Energy: 0.5773158807901696
Energy: 0.5770982639400848
Energy: 0.5486128682081021
Energy: 0.5773322937225678
Energy: 0.5407452443114157
Energy: 0.5730250278179692
Energy: 0.5881758243306373
Energy: 0.5872909748034798
Energy: 0.5734614757244927
Energy: 0.6013809919177595
Energy: 0.5872690095866118
Energy: 0.5695199713091139
Energy: 0.6046532657435254
Energy: 0.5887001579023745
Energy: 0.5694843050623227
Energy: 0.5668955087805976
Energy: 0.5661069618861178
Energy: 0.5732461014458742
Energy: 0.5820623444098283
Energy: 0.5867162257065487
Energy: 0.5739866585501243
Energy: 0.575077214790745
Energy: 0.5748668208734501
Energy: 0.5410605410915258
Energy: 0.5774339174181907
Energy: 0.5810747438138886
Energy: 0.5409858090373796
Energy: 0.5773348876108272
Energy: 0.5860532574248977
Energy: 0.5405479060304469
Energy: 0.5735846712748223
Energy: 0.582920385081561
Energy: 0.5406651045589755
Energy: 0.5738903376347064
Energy: 0.583970327307637
Energy: 0.5671195525666538
Energy: 0.5315572355763152
Energy: 0.5316293888393878
Energy: 0.5670734951266381
Energy: 0.5338486775196607
Energy: 0.5715899250808456
Energy: 0.5917610638950875
Energy: 0.5742777478599351
Energy: 0.583724521939581
Energy: 0.5927711517687877
Energy: 0.5654581172397284
Energy: 0.5815364093166966
Energy: 0.6499922196355208
Energy: 0.57727050100502
Energy: 0.5686663962267341
Energy: 0.5495245034304354
Energy: 0.5773197705861554
Energy: 0.5688373011093988
Energy: 0.573183655257401
Energy: 0.5722998198515997
Energy: 0.573598875534472
Energy: 0.573193071788023
Energy: 0.5716179064209793
Energy: 0.5747156967383149
Energy: 0.5771323426121494
Energy: 0.5312555224904929
Energy: 0.5682619579189634
Energy: 0.5771480349370839
Energy: 0.5309571080780598
Energy: 0.5695673320321216
Energy: 0.5772570109710753
Energy: 0.5433116982854956
Energy: 0.5784418037190158
Energy: 0.5782990595857397
Energy: 0.5313347441061297
Energy: 0.5761072440248793
Energy: 0.6652065711160576
Energy: 0.5649059992677825
Energy: 0.5658498266975247
Energy: 0.5325248120370136
Energy: 0.5647093025741763
Energy: 0.5688577284856675
Energy: 0.5833372360179415
Energy: 0.5701158051453987
Energy: 0.5707588548649517
Energy: 0.5838540684508388
Energy: 0.5776896385329018
Energy: 0.5721980107835859
Energy: 0.5776562873732387
Energy: 0.5297928462248268
Energy: 0.5753352910844313
Energy: 0.5776037455313705
Energy: 0.530236736248905
Energy: 0.5697081410320459
Energy: 0.565618123169316
Energy: 0.5640094520666831
Energy: 0.5781853488346995
Energy: 0.566298958374422
Energy: 0.5304433126085433
Energy: 0.5698073533637282
Energy: 0.5348316693644166
Energy: 0.5768011531257902
Energy: 0.570602407274552
Energy: 0.5355363653039779
Energy: 0.5774147524759257
Energy: 0.5749666590155375
Energy: 0.5426998399736178
Energy: 0.5849355974975309
Energy: 0.5799539008682576
Energy: 0.5429571333796877
Energy: 0.5937499566514434
Energy: 0.5765995867923179
Energy: 0.5700342843825333
Energy: 0.5275872565649291
Energy: 0.5714506488204796
Energy: 0.5701243524943747
Energy: 0.5274174772740834
Energy: 0.567984711863647
Energy: 0.5734619337732373
Energy: 0.5620033226422277
Energy: 0.5701404299826519
Energy: 0.573465393500004
Energy: 0.5274368343787577
Energy: 0.5683003554930214
Energy: 0.5834128843123884
Energy: 0.5783196508571302
Energy: 0.5794485009473217
Energy: 0.5867519277265332
Energy: 0.5922053018142369
Energy: 0.579099734926414
Energy: 0.5621459558904867
Energy: 0.5670527616123977
Energy: 0.5704796226301954
Energy: 0.5394710297130363
Energy: 0.5671498592785278
Energy: 0.5747774737327271
Energy: 0.5737736401714841
Energy: 0.5412411542372323
Energy: 0.590158709460296
Energy: 0.5748276797823771
Energy: 0.5404491318128342
Energy: 0.57424523253447
Energy: 0.5741032675990391
Energy: 0.5405051093569869
Energy: 0.5818852775617877
Energy: 0.5739398401629887
Energy: 0.5564758592546628
Energy: 0.5827712204523698
Energy: 0.5947490698656688
Energy: 0.5729009896967597
Energy: 0.5744478348361971
Energy: 0.5655652611894272
Energy: 0.5727899697441055
Energy: 0.5683671230710144

minimum gb energy = 0.5274174772740834 eV
minimum distance =  2.55906526763342 Angstroms
sigma value = 101


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

Energy: 0.7616986399121028
Energy: 0.5446866250753212
Energy: 0.5863695732602984
Energy: 0.762801791168533
Energy: 0.5448172695803213
Energy: 0.4992812901206499
Energy: 0.6231247422268336
Energy: 0.5680315482156547
Energy: 0.5740029022265599
Energy: 0.5867722859016178
Energy: 0.5634795348879884
Energy: 0.5720527066950648
Energy: 0.5720607865729064
Energy: 0.5102580385566783
Energy: 0.5100503173893185
Energy: 0.5720535792947145
Energy: 0.5112828570955368
Energy: 0.5565957217162528
Energy: 0.5628323470408924
Energy: 0.5728554940709528
Energy: 0.5732109982649793
Energy: 0.5635606220735949
Energy: 0.5657379447606861
Energy: 0.5726298662343546
Energy: 0.5184416059839501
Energy: 0.5724550983119817
Energy: 0.570310821786384
Energy: 0.5197853719258837
Energy: 0.5733226314080465
Energy: 0.5180885764093142
Energy: 0.5426518881822268
Energy: 0.5724735036956426
Energy: 0.5725557378573354
Energy: 0.5428466031724815
Energy: 0.5865123459038063
Energy: 0.5733750758623751
Energy: 0.5694621820510863
Energy: 0.5449504987848885
Energy: 0.5229653783440489
Energy: 0.5695824098829821
Energy: 0.5441157458042996
Energy: 0.5338809752408453
Energy: 0.5622640860556417
Energy: 0.5719927807557403
Energy: 0.5726812445474592
Energy: 0.562954723240676
Energy: 0.5657670022778776
Energy: 0.5635956570122613
Energy: 0.511164925537003
Energy: 0.5717991017287061
Energy: 0.5439789222481469
Energy: 0.5118514013327861
Energy: 0.571947454661484
Energy: 0.5100674473265243
Energy: 0.510355791235598
Energy: 0.573041571857506
Energy: 0.5755505881715455
Energy: 0.5101803405193333
Energy: 0.5736560849759287
Energy: 0.5759597914523644
Energy: 0.562328455036198
Energy: 0.4977160470917582
Energy: 0.49771445135577536
Energy: 0.5621893105067989
Energy: 0.5005391686707042
Energy: 0.558717718600802
Energy: 0.5720902567123216
Energy: 0.575200581208346
Energy: 0.57694569126197
Energy: 0.5729081389800893
Energy: 0.5513651431672911
Energy: 0.5744816470195774
Energy: 0.6138013394891463
Energy: 0.5719776891086688
Energy: 0.572748471586339
Energy: 0.6150720125322422
Energy: 0.5730737103151342
Energy: 0.5701951895273701
Energy: 0.5454776266930988
Energy: 0.5623731508641493
Energy: 0.5720043993265842
Energy: 0.5773957290903567
Energy: 0.5634987341981889
Energy: 0.5705497081465722
Energy: 0.5721082987852231
Energy: 0.5107671596598464
Energy: 0.5098281380898384
Energy: 0.5729112716782336
Energy: 0.5116780918904176
Energy: 0.5663546911373454
Energy: 0.5861730944288354
Energy: 0.5219473358624719
Energy: 0.5626764272276897
Energy: 0.5860417893666252
Energy: 0.5113427612337743
Energy: 0.5733262760504383
Energy: 0.7020809121858518
Energy: 0.5631358010842578
Energy: 0.5658355783954655
Energy: 0.7016328664305183
Energy: 0.5625250387583769
Energy: 0.5429220041414077
Energy: 0.5775400579662278
Energy: 0.5624143244941604
Energy: 0.5658835301055588
Energy: 0.5774434649267559
Energy: 0.5623253607961798
Energy: 0.5727195628162344
Energy: 0.57224152518707
Energy: 0.5098702826638861
Energy: 0.5099384847934634
Energy: 0.5722346515241531
Energy: 0.5099201102616273
Energy: 0.5634375590589524
Energy: 0.56177482884936
Energy: 0.5095784353710501
Energy: 0.5728273136545909
Energy: 0.5625869228481153
Energy: 0.5098272190319548
Energy: 0.5738833412241197
Energy: 0.5200344382403819
Energy: 0.5626104577093529
Energy: 0.565604409796243
Energy: 0.5211376952923263
Energy: 0.562320768617252
Energy: 0.5186647537114863
Energy: 0.5401140192601175
Energy: 0.5745550128277958
Energy: 0.5740941185851266
Energy: 0.541103979329679
Energy: 0.5873553585816984
Energy: 0.5726385524800113
Energy: 0.5626488430922533
Energy: 0.5463690051309602
Energy: 0.5464150983826692
Energy: 0.562509792729414
Energy: 0.5480516321671103
Energy: 0.566449807785728
Energy: 0.5631477925515279
Energy: 0.5728416515226765
Energy: 0.5704105770616945
Energy: 0.5624147924841763
Energy: 0.5474437353195525
Energy: 0.5661078060751683
Energy: 0.5239730647524733
Energy: 0.582758318905596
Energy: 0.5738637022303643
Energy: 0.5144913346827307
Energy: 0.586366505147933
Energy: 0.5651025070137362
Energy: 0.5110542242110844
Energy: 0.5709525571551588
Energy: 0.5725004044378905
Energy: 0.5116678183888081
Energy: 0.5741633133762515
Energy: 0.5758289432694951
Energy: 0.5635762307612043
Energy: 0.4973483221543438
Energy: 0.5681024875040565
Energy: 0.5622369548843277
Energy: 0.500826683987603
Energy: 0.5666345182792344
Energy: 0.5743771818117609
Energy: 0.49786510393501415
Energy: 0.5694301691923389
Energy: 0.5723676257282538
Energy: 0.4974629114145443
Energy: 0.5698380607598476
Energy: 0.5470750223237398
Energy: 0.5723734884729927
Energy: 0.5708645209639832
Energy: 0.5082222856873372
Energy: 0.5721417971125066
Energy: 0.5701678590119632
Energy: 0.5461397385610711
Energy: 0.5618060145748479
Energy: 0.5638123159824237
Energy: 0.5087197322797848
Energy: 0.5631818314533963
Energy: 0.5702440571839077
Energy: 0.5733148542045745
Energy: 0.5098460460198484
Energy: 0.5107959946322906
Energy: 0.5742663480687007
Energy: 0.5097749542048554
Energy: 0.5742052587447305
Energy: 0.5875711659208724
Energy: 0.5215995003984842
Energy: 0.543278042847644
Energy: 0.5876122011351534
Energy: 0.5221633441883781
Energy: 0.5652631870910706
Energy: 0.63602710480834
Energy: 0.5623497916833298
Energy: 0.5678824043351253
Energy: 0.4967593446391019
Energy: 0.5622504330894529
Energy: 0.5709521643747557

minimum gb energy = 0.4967593446391019 eV
minimum distance =  2.56883893677767 Angstroms
sigma value = 33


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

Energy: 0.011713306561903987
Energy: 0.5236467114873942
Energy: 0.01269488232732841
Energy: 0.013135527432146235
Energy: 0.520883826255153
Energy: 0.012152247983830305
Energy: 0.23912071415359912
Energy: 0.06347452644614193
Energy: 0.06206731225003932
Energy: 0.061529216272946975
Energy: 0.06149750257419325
Energy: 0.061845841228473426
Energy: 0.6957608663866559
Energy: 0.5230735610647199
Energy: 0.5211291719745554
Energy: 0.5210545282439859
Energy: 0.5207382574045819
Energy: 0.5210680872145903
Energy: 0.01358977863688185
Energy: 0.06347452644578766
Energy: 0.062067312250393615
Energy: 0.06152921627261236
Energy: 0.061497502574527865
Energy: 0.061845841228473426

minimum gb energy = 0.011713306561903987 eV
minimum distance =  2.82305298505315 Angstroms
sigma value = 1