Model name: model_name=EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.160539835691452
cohesive_energy=2.971621318316131
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.5713940143309577e-19, 2.10155906905146e-19, 2.47699711969668e-19, 2.78764314726294e-19, 3.0514895953500597e-19, 3.27814952376204e-19, 3.4757299462669197e-19, 3.64817221738434e-19, 3.7982320809247797e-19, 3.9289536724928396e-19, 4.0436534977208996e-19, 4.1455839751759798e-19, 4.23766106633196e-19, 4.3220957749437592e-19, 4.40028199468296e-19, 4.47270037853976e-19, 4.538934360589319e-19, 4.5979265042532e-19, 4.64866743825198e-19, 4.6901317695399e-19, 4.72183884512676e-19, 4.74383673031158e-19, 4.7565900563182195e-19, 4.76069162850126e-19, 4.75634972982312e-19, 4.742426814873659e-19, 4.71727264171986e-19, 4.67866018484046e-19, 4.62365746099524e-19, 4.54843526802894e-19, 4.44825116310492e-19, 4.3173853756398e-19, 4.14912478553712e-19, 3.9356988361219797e-19, 3.6682955559073794e-19, 3.33730188508932e-19, 2.9309418254079e-19, 2.4281307323596797e-19, 1.7848888573413597e-19, 9.737084297237939e-20, -4.28615895304314e-21, -1.3267208140229158e-19, -2.9739602680308e-19, -5.1270453376317e-19, -7.99441279420248e-19, -1.190971592177364e-18, -1.7456515515747e-18, -2.5754508738559797e-18, -3.9212311811169594e-18, -6.38364849344424e-18, -1.16231506090164e-17, -2.5185415598162997e-17, -7.056610745023259e-17, -2.84248565344476e-16]
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: 0.008652811748762798
Energy: 0.3061759494389913
Energy: 0.008866376083847835
Energy: 0.008813286127905903
Energy: 0.30618363731967496
Energy: 0.009025825915037814
Energy: 0.306175949440846
Energy: 0.06884717663276334
Energy: 0.06884921837451925
Energy: 0.06894438906898029
Energy: 0.06877024604936188
Energy: 0.06898750992226396
Energy: 0.008866376083611075
Energy: 0.06884921837520322
Energy: 0.06943848019637558
Energy: 0.00886935599929706
Energy: 0.06882471566147358
Energy: 0.06933944360899057
Energy: 0.008813286128142663
Energy: 0.06894438907059813
Energy: 0.00886935599929706
Energy: 0.00883244977422806
Energy: 0.06884978174466443
Energy: 0.009010181361615919
Energy: 0.3061836373185175
Energy: 0.06877024604982225
Energy: 0.06882471565684364
Energy: 0.06884978174605867
Energy: 0.06886048834186709
Energy: 0.06886446402609954
Energy: 0.009025825915498175
Energy: 0.068987509919949
Energy: 0.06933944360691237
Energy: 0.009010181361852677
Energy: 0.06886446402819091
Energy: 0.008793367702614466

minimum gb energy = 0.008652811748762798 eV
minimum distance =  2.93901071057661 Angstroms
sigma value = 1


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

Energy: 0.834011202023218
Energy: 0.5316629635209592
Energy: 0.549108397788743
Energy: 0.5268472305392607
Energy: 0.7703514105077874
Energy: 0.5494862341206794
Energy: 0.7498179131086644
Energy: 0.5324227454519689
Energy: 0.5257621113008393
Energy: 0.5085409468043343
Energy: 0.5336115381635191
Energy: 0.516474872480062
Energy: 0.7168820200790967
Energy: 0.5338594336817633
Energy: 0.519444717167028
Energy: 0.5179222756814298
Energy: 0.5256351543785655
Energy: 0.5179638510517808
Energy: 0.8266034891849761
Energy: 0.5202898144907991
Energy: 0.5172125304994112
Energy: 0.5174120973458972
Energy: 0.5195308012653188
Energy: 0.5172847297486215
Energy: 0.7615230484684892
Energy: 0.5252117286239232
Energy: 0.5246165337917019
Energy: 0.5153169529577295
Energy: 0.5295861090903623
Energy: 0.5241690345824273
Energy: 0.7492376925670436
Energy: 0.5303964953110967
Energy: 0.5306620560174352
Energy: 0.5150590998091894
Energy: 0.524317546976472
Energy: 0.5263015044072261
Energy: 0.7509430350441244
Energy: 0.5223263346365896
Energy: 0.527351916575288
Energy: 0.5146593477533076
Energy: 0.4979177183199549
Energy: 0.5259576693560527
Energy: 0.715218743411806
Energy: 0.5184125930016314
Energy: 0.5177952629469914
Energy: 0.49652732663728505
Energy: 0.5178729713580962
Energy: 0.5254259242793347
Energy: 0.6089980290012825
Energy: 0.514618543316091
Energy: 0.5152721396374857
Energy: 0.5294542374203026
Energy: 0.5224353661535333
Energy: 0.5325781412471531
Energy: 0.6066592059161496
Energy: 0.5253428732602271
Energy: 0.5251062247834769
Energy: 0.49275932188625454
Energy: 0.5157757974285471
Energy: 0.5255300888036443
Energy: 0.5912424582134185
Energy: 0.5176893138613616
Energy: 0.5175485892031483
Energy: 0.5374336479795235
Energy: 0.5171285220755214
Energy: 0.5147677833367488
Energy: 0.5349381113119486
Energy: 0.5242883739679545
Energy: 0.5201872927456365
Energy: 0.5354131695095009
Energy: 0.518310282631147
Energy: 0.5188957999517956
Energy: 0.5335999139329337
Energy: 0.5165774289256034
Energy: 0.516290878592422
Energy: 0.5336543572996801
Energy: 0.5257218199043473
Energy: 0.525990036049827
Energy: 0.574951710457471
Energy: 0.5173587394026558
Energy: 0.5174458095596697
Energy: 0.5135705759687824
Energy: 0.5194053871710035
Energy: 0.5146628195512202
Energy: 0.5583267423743222
Energy: 0.5150877099304327
Energy: 0.5238110980877569
Energy: 0.5246655071476616
Energy: 0.5152227189556698
Energy: 0.5243402003661486
Energy: 0.5581418543431178
Energy: 0.5156471762557819
Energy: 0.5145815510876764
Energy: 0.5332628332987575
Energy: 0.5172751467072233
Energy: 0.521814545926606
Energy: 0.7187505980288709
Energy: 0.5191001791046511
Energy: 0.5195336223480831
Energy: 0.5237626978403523
Energy: 0.5184291981603802
Energy: 0.5174552178518317
Energy: 0.6783932918871903
Energy: 0.4911144160227818
Energy: 0.5241648230552334
Energy: 0.524879878961271
Energy: 0.4902474768675331
Energy: 0.5321585653211621
Energy: 0.6796038297249004
Energy: 0.5321214900972054
Energy: 0.5326779120853549
Energy: 0.49097295302660793
Energy: 0.5251399359105949
Energy: 0.5321903597249729
Energy: 0.7589593425294975
Energy: 0.5250067885209541
Energy: 0.5326789003081646
Energy: 0.5185074219380199
Energy: 0.524635683449667
Energy: 0.5320224401809636
Energy: 0.780004259647784
Energy: 0.5225709026262652
Energy: 0.5173868840128251
Energy: 0.5181146811496281
Energy: 0.5148135299819732
Energy: 0.51724487553056
Energy: 0.7833283701103263
Energy: 0.5341277025956201
Energy: 0.5237935998357536
Energy: 0.5292130963599592
Energy: 0.5333594653678981
Energy: 0.5178792254631556
Energy: 0.7817633391823906
Energy: 0.5305035874001391
Energy: 0.5250207449935791
Energy: 0.5187462807419302
Energy: 0.5241726040543417
Energy: 0.5160082973440584

minimum gb energy = 0.4902474768675331 eV
minimum distance =  2.73784303103189 Angstroms
sigma value = 33


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

Energy: 0.9100205264805568
Energy: 0.52522473577064
Energy: 0.5435352418408286
Energy: 0.5442718180276864
Energy: 0.5363506840949718
Energy: 0.545813262507429
Energy: 0.7028110684418396
Energy: 0.5346673617680882
Energy: 0.5351780853750375
Energy: 0.5410220483723742
Energy: 0.5346795231227092
Energy: 0.553041706459773
Energy: 0.6995764407202413
Energy: 0.5346289781971616
Energy: 0.5348752536747424
Energy: 0.5387067850335922
Energy: 0.5345575478354723
Energy: 0.5415407493432529
Energy: 0.7509443374437785
Energy: 0.5351658023299337
Energy: 0.5350470915325071
Energy: 0.534110294998013
Energy: 0.5351371431119099
Energy: 0.5340457120925437
Energy: 0.7009107514929998
Energy: 0.5290711438511377
Energy: 0.5492234436121869
Energy: 0.5176625997946889
Energy: 0.5285964601860674
Energy: 0.5519638398335069
Energy: 0.7530686987010055
Energy: 0.547591893544413
Energy: 0.5478070317328316
Energy: 0.5428523474898275
Energy: 0.5483816243955605
Energy: 0.5361644107148558
Energy: 0.7523330113750809
Energy: 0.5379236577914094
Energy: 0.5378600565085321
Energy: 0.5360104709326198
Energy: 0.5303081091758617
Energy: 0.5363004857349779
Energy: 0.7005110272134399
Energy: 0.5472522228560529
Energy: 0.5484152136275454
Energy: 0.5618025904718081
Energy: 0.5473763325050501
Energy: 0.5477472322942647
Energy: 0.5931099337462473
Energy: 0.5505736679479044
Energy: 0.5524367913942749
Energy: 0.5468431320192332
Energy: 0.516372125189956
Energy: 0.5482544987454815
Energy: 0.5915570198632544
Energy: 0.5502004179676672
Energy: 0.5495829875532438
Energy: 0.5299462087935607
Energy: 0.5410995609729864
Energy: 0.5536314300414872
Energy: 0.6007633870067747
Energy: 0.5074947702549909
Energy: 0.5073090719484221
Energy: 0.5418753770461949
Energy: 0.5074640501724362
Energy: 0.5078057802274417
Energy: 0.5346768117974001
Energy: 0.548764227842761
Energy: 0.5404183696494105
Energy: 0.5347556476384417
Energy: 0.5475701136894929
Energy: 0.5466386779841379
Energy: 0.5348173277953038
Energy: 0.5420057067628847
Energy: 0.5517622340474939
Energy: 0.5347189366238211
Energy: 0.5424066294610919
Energy: 0.5485294172846463
Energy: 0.5417053604364095
Energy: 0.5344752761234115
Energy: 0.5346033023038677
Energy: 0.5345461365082654
Energy: 0.5345229562902495
Energy: 0.534656016225632
Energy: 0.5917042296928111
Energy: 0.5501273092919381
Energy: 0.5496971830594244
Energy: 0.5364563161348314
Energy: 0.5402564925361186
Energy: 0.5556365200442126
Energy: 0.594148375660114
Energy: 0.5358305626006478
Energy: 0.5360197696823107
Energy: 0.5475176164072736
Energy: 0.5433198783848986
Energy: 0.5353116281283818
Energy: 0.7038695741166563
Energy: 0.5360776054295018
Energy: 0.5361459002592115
Energy: 0.5290066778079908
Energy: 0.5360977387211093
Energy: 0.5364705545356783
Energy: 0.6578010452179905
Energy: 0.5489007819711851
Energy: 0.5489788803485257
Energy: 0.5471787417614898
Energy: 0.5485192417439511
Energy: 0.5473928326961884
Energy: 0.652447338821597
Energy: 0.5463479634579017
Energy: 0.547670199255926
Energy: 0.5483475633569826
Energy: 0.5467624995641788
Energy: 0.5416133390057911
Energy: 0.7006295715124833
Energy: 0.5486252241206149
Energy: 0.5487317504020548
Energy: 0.5406516231555756
Energy: 0.5488067725887453
Energy: 0.5494718926662803
Energy: 0.845113998479752
Energy: 0.5371383142813441
Energy: 0.507275801034581
Energy: 0.507990678472319
Energy: 0.5479129469937137
Energy: 0.5074831271209889
Energy: 0.6535607702998781
Energy: 0.5348189756469468
Energy: 0.5465067293760727
Energy: 0.5477307561853426
Energy: 0.5347907377816575
Energy: 0.5379421254661856
Energy: 0.7028016184222229
Energy: 0.534748683636486
Energy: 0.5347632175968952
Energy: 0.5417779800995928
Energy: 0.5346932190392796
Energy: 0.5504662130791362
Energy: 0.7516085282817749
Energy: 0.5418161963403997
Energy: 0.534865122263127
Energy: 0.5351790581848035
Energy: 0.5422519922379795
Energy: 0.5492277428358247
Energy: 0.7019822995072205
Energy: 0.5288897936297897
Energy: 0.5299696629965674
Energy: 0.5415871484770016
Energy: 0.5350997295352999
Energy: 0.5505470311022125
Energy: 0.7002441531497429
Energy: 0.5460213898417189
Energy: 0.5476273948785592
Energy: 0.5475802772289521
Energy: 0.5462669178156495
Energy: 0.5363801294241575
Energy: 0.7521444704939428
Energy: 0.5196378118578517
Energy: 0.5371034339095436
Energy: 0.5366162501518542
Energy: 0.5296422540420753
Energy: 0.536557978604697
Energy: 0.700742124807821
Energy: 0.5500751465025145
Energy: 0.5479558364846796
Energy: 0.5486708464252938
Energy: 0.5474338995261019
Energy: 0.5416419378809483
Energy: 0.5939520800330491
Energy: 0.5497598180317418
Energy: 0.5479452599621555
Energy: 0.548205087091896
Energy: 0.5471511154876637
Energy: 0.5488585883097837
Energy: 0.5935146497596674
Energy: 0.5509224870761037
Energy: 0.5491132699038992
Energy: 0.5480229463012108
Energy: 0.5191351919818266
Energy: 0.5527256160812021
Energy: 0.5926560445571954
Energy: 0.5076259546259019
Energy: 0.5073023110155743
Energy: 0.5347664679615713
Energy: 0.5080143790158445
Energy: 0.5074365572967579
Energy: 0.5347008464357704
Energy: 0.5354867851845356
Energy: 0.5121528444692491
Energy: 0.5347211252340298
Energy: 0.5482728732273776
Energy: 0.546898617915976
Energy: 0.5364958664035303
Energy: 0.5503690608008281
Energy: 0.5501478398583074
Energy: 0.5369733856314666
Energy: 0.5404131145495766
Energy: 0.5480725585960621
Energy: 0.5353569701916897
Energy: 0.5351161192784215
Energy: 0.5348923010050393
Energy: 0.5354427162930486
Energy: 0.535335794471988
Energy: 0.527624158353714
Energy: 0.5918434209766235
Energy: 0.5499983171893839
Energy: 0.5510239290758819
Energy: 0.5352495406438719
Energy: 0.5404868791094611
Energy: 0.5532498309064732
Energy: 0.591477363672571
Energy: 0.5431858068661213
Energy: 0.5420055910521266
Energy: 0.5470721219650428
Energy: 0.5416835258654844
Energy: 0.5490566193179393
Energy: 0.5923808079192252
Energy: 0.5367164535568624
Energy: 0.5367766370024019
Energy: 0.5177090204113898
Energy: 0.5368968346098538
Energy: 0.5375249435030581
Energy: 0.6523611653618756
Energy: 0.5481313177631433
Energy: 0.5422016234830195
Energy: 0.5163145981823575
Energy: 0.5473173131975667
Energy: 0.5532243806535335
Energy: 0.6567457070179898
Energy: 0.5488719703925835
Energy: 0.549315602999913
Energy: 0.5470452798550596
Energy: 0.5488711770639356
Energy: 0.5473996058979113
Energy: 0.7012294112271693
Energy: 0.5463874072272972
Energy: 0.5485355481814326
Energy: 0.5177718313760361
Energy: 0.5466351139104636
Energy: 0.5497841667121997
Energy: 0.8459855197809675
Energy: 0.5357419270463778
Energy: 0.50772969577859
Energy: 0.5080305241146007
Energy: 0.5347580073137146
Energy: 0.507284334571189

minimum gb energy = 0.507275801034581 eV
minimum distance =  2.76642308020972 Angstroms
sigma value = 51


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

Energy: 0.86308816985716
Energy: 0.5392951734388021
Energy: 0.5341325245546907
Energy: 0.5384701444155497
Energy: 0.5392390322029054
Energy: 0.5667979721877793
Energy: 0.6597242813376131
Energy: 0.5498066526442487
Energy: 0.5397541121348909
Energy: 0.5352424942494325
Energy: 0.5500119929977894
Energy: 0.5316443362856766
Energy: 0.7759966431222992
Energy: 0.5497469598260487
Energy: 0.5503377098607878
Energy: 0.5366177641565857
Energy: 0.5498816188019232
Energy: 0.5537891342432308
Energy: 0.7736435171638499
Energy: 0.5399477949631829
Energy: 0.5396879623298583
Energy: 0.5346183653942274
Energy: 0.533443021251266
Energy: 0.535309160973858
Energy: 0.6625693345260364
Energy: 0.5722628750014982
Energy: 0.5365813230105562
Energy: 0.5382779570015574
Energy: 0.5709572246727203
Energy: 0.5369383877748197
Energy: 0.6604950034452541
Energy: 0.5588932868519959
Energy: 0.5660372958174745
Energy: 0.5490401731099519
Energy: 0.5588103978466208
Energy: 0.5658791743485606
Energy: 0.6601688198743593
Energy: 0.5181319792159196
Energy: 0.5183110258173484
Energy: 0.5491155171854105
Energy: 0.5183480455805002
Energy: 0.5183972101786503
Energy: 0.6471109542573167
Energy: 0.5373157951347036
Energy: 0.5381873310220197
Energy: 0.5500444711922061
Energy: 0.5325816707346853
Energy: 0.5422093962623181
Energy: 0.5499538675443827
Energy: 0.5319898431125749
Energy: 0.5313226440264777
Energy: 0.5498236394689969
Energy: 0.5257599088010811
Energy: 0.5569998663214505
Energy: 0.549872755453664
Energy: 0.5290799228443713
Energy: 0.5384064269683551
Energy: 0.5498721257298499
Energy: 0.5296970163700537
Energy: 0.5588753924121433
Energy: 0.5902115202039212
Energy: 0.5345047294925666
Energy: 0.5347102577212925
Energy: 0.5702381798318219
Energy: 0.5481446680068592
Energy: 0.5322059077878183
Energy: 0.578818514042502
Energy: 0.536085873947861
Energy: 0.527468602554019
Energy: 0.539580914382532
Energy: 0.546285334758735
Energy: 0.556392561999146
Energy: 0.5783752667337516
Energy: 0.5528423905835057
Energy: 0.5520121613827117
Energy: 0.5560734058701432
Energy: 0.5469333794937167
Energy: 0.5570522410761652
Energy: 0.5791093713876123
Energy: 0.5358383190959809
Energy: 0.5359861585976352
Energy: 0.5401595348613637
Energy: 0.5355985772118593
Energy: 0.5362912569907848
Energy: 0.7061006990076735
Energy: 0.544865701605922
Energy: 0.5413221914950271
Energy: 0.5827873664584662
Energy: 0.5568174813519036
Energy: 0.5416918446876295
Energy: 0.7065480490379942
Energy: 0.555232757091266
Energy: 0.5510167276637254
Energy: 0.5268755533920333
Energy: 0.5537781128816625
Energy: 0.5269245931201603
Energy: 0.7102565499432922
Energy: 0.5575869249085763
Energy: 0.5571019271420102
Energy: 0.536564459488253
Energy: 0.5579434462249165
Energy: 0.5585677447900417
Energy: 0.8380675473624727
Energy: 0.5394033381644293
Energy: 0.5378539078032797
Energy: 0.5371466938551462
Energy: 0.5498654365741023
Energy: 0.5457504008141206

minimum gb energy = 0.5181319792159196 eV
minimum distance =  2.68387481183755 Angstroms
sigma value = 19


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

Energy: 0.7293902462081833
Energy: 0.5209667887846374
Energy: 0.5332224921954476
Energy: 0.5946141835565875
Energy: 0.5184880384919214
Energy: 0.5331356320546052
Energy: 0.6226225036996942
Energy: 0.5188181736053677
Energy: 0.5188882828963897
Energy: 0.5375698708304398
Energy: 0.5188239177357327
Energy: 0.5189539801825291
Energy: 0.6222437672315954
Energy: 0.5191897492343751
Energy: 0.5190563433387967
Energy: 0.551060674906832
Energy: 0.5191148569423965
Energy: 0.5190056428330321
Energy: 0.6185808102679479
Energy: 0.5193251665882038
Energy: 0.5190249908947755
Energy: 0.5405706382619035
Energy: 0.519100335495603
Energy: 0.5188513076047375
Energy: 0.6229751889588302
Energy: 0.5189604474439975
Energy: 0.5383429351295284
Energy: 0.5380749960310343
Energy: 0.5187911871853735
Energy: 0.538036197643004
Energy: 0.622789693450032
Energy: 0.5042223087989344
Energy: 0.5373815453942163
Energy: 0.5378479937349127
Energy: 0.5042460711812087
Energy: 0.5375578925411
Energy: 0.6223472796725456
Energy: 0.5381489501973575
Energy: 0.537539528155682
Energy: 0.5376252531547142
Energy: 0.5094802680918876
Energy: 0.5381098024726625
Energy: 0.5843754374185375
Energy: 0.5045348428328407
Energy: 0.5045623783546274
Energy: 0.5853472354565599
Energy: 0.5046460458923185
Energy: 0.5045416828948024
Energy: 0.5188732693413397
Energy: 0.5043476718536553
Energy: 0.5043278213126797
Energy: 0.5189142037247444
Energy: 0.5047007117073501
Energy: 0.5043617577854322
Energy: 0.5196326539329
Energy: 0.5382894760963706
Energy: 0.5189984703395562
Energy: 0.5187467382202333
Energy: 0.5379234682425219
Energy: 0.5189759080651698
Energy: 0.5187735911045591
Energy: 0.5407074018404067
Energy: 0.5412653977389865
Energy: 0.5187535712550774
Energy: 0.5407566908365511
Energy: 0.5190649954955537
Energy: 0.6222232846474909
Energy: 0.5378867232358414
Energy: 0.5376156732303977
Energy: 0.5188713983136385
Energy: 0.5380855314301131
Energy: 0.5188339581925694
Energy: 0.5042222602281343
Energy: 0.5378202612334835
Energy: 0.5382605498020954
Energy: 0.5057869719954728
Energy: 0.5378567187625717
Energy: 0.5386140977358016
Energy: 0.6226456131814795
Energy: 0.5377955408238652
Energy: 0.5380054511313536
Energy: 0.5188339753836193
Energy: 0.5378245317097018
Energy: 0.5381567444636126
Energy: 0.731819740979704
Energy: 0.5188540332877278
Energy: 0.5189335343371401
Energy: 0.5046761377988158
Energy: 0.5187750762830806
Energy: 0.5045377389144735
Energy: 0.730440249182539
Energy: 0.5195562603761882
Energy: 0.5044211709523956
Energy: 0.5049895825227977
Energy: 0.5193235067591403
Energy: 0.5043540878960168
Energy: 0.6228339650580216
Energy: 0.5188078737246313
Energy: 0.5189384688521224
Energy: 0.5378260753442046
Energy: 0.519117040633092
Energy: 0.518995942684952
Energy: 0.619462421292402
Energy: 0.5190590576541525
Energy: 0.5190354477371202
Energy: 0.540538694252803
Energy: 0.5189027310545699
Energy: 0.5189539858042274
Energy: 0.6172687767016254
Energy: 0.5191644363690512
Energy: 0.5190338438230598
Energy: 0.5405432570837134
Energy: 0.5189990673259329
Energy: 0.5189666860962402
Energy: 0.6225106175984096
Energy: 0.5041590441374824
Energy: 0.5380135213160555
Energy: 0.5377212798950171
Energy: 0.5042497968159992
Energy: 0.5370518629432165
Energy: 0.6196036496414208
Energy: 0.5380867986140007
Energy: 0.5381697716242496
Energy: 0.538198773844307
Energy: 0.5188224660989877
Energy: 0.538214759215976
Energy: 0.6221201183427427
Energy: 0.5099669763292765
Energy: 0.5377434001478338
Energy: 0.5187658052908893
Energy: 0.5095984199884126
Energy: 0.5381669390556255
Energy: 0.585001858042571
Energy: 0.5050218103507544
Energy: 0.504317051801549
Energy: 0.5852871838423629
Energy: 0.504238487130804
Energy: 0.5328974102261049
Energy: 0.5187808313259655
Energy: 0.53782568498262
Energy: 0.5189821937247161
Energy: 0.5187337489637199
Energy: 0.5294148552776943
Energy: 0.5190159647690389
Energy: 0.51896925807422
Energy: 0.5384317481350364
Energy: 0.5190753056666882
Energy: 0.518804612877845
Energy: 0.550516215408942
Energy: 0.5190127178411117
Energy: 0.586138296550372
Energy: 0.5404821691459638
Energy: 0.5416346539533381
Energy: 0.585879510417933
Energy: 0.5404228632409327
Energy: 0.5189862252545319
Energy: 0.6223007917592425
Energy: 0.5378919599915678
Energy: 0.5385720752682133
Energy: 0.5189995260487079
Energy: 0.5380909555577962
Energy: 0.5379842172408679
Energy: 0.5042009288896556
Energy: 0.5375009625940468
Energy: 0.53793437952812
Energy: 0.5041633090084867
Energy: 0.5375292901594123
Energy: 0.5369662012229528
Energy: 0.5856408484092399
Energy: 0.5377765431809236
Energy: 0.5377716202998726
Energy: 0.5097899111987363
Energy: 0.5378632778717399
Energy: 0.5373888697860358
Energy: 0.7310355752705642
Energy: 0.5196047756406602
Energy: 0.5043511217547665
Energy: 0.5045882218878266
Energy: 0.5187773101922549
Energy: 0.5043810551896009

minimum gb energy = 0.5041590441374824 eV
minimum distance =  2.76760759956731 Angstroms
sigma value = 27


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

Energy: 0.6306839852399062
Energy: 0.5319316796087165
Energy: 0.5995741955251952
Energy: 0.5387549246438182
Energy: 0.5014786186569457
Energy: 0.6914604254834312
Energy: 0.6138388788884137
Energy: 0.5235271860690196
Energy: 0.4905896392721943
Energy: 0.4881353016563149
Energy: 0.5233844548262199
Energy: 0.4688386499652729
Energy: 0.5620648974108521
Energy: 0.5235293464142944
Energy: 0.4905671334114429
Energy: 0.5020672428277492
Energy: 0.5237994543200782
Energy: 0.4913955468364303
Energy: 0.5628383586476923
Energy: 0.49050836084413046
Energy: 0.4687859436216257
Energy: 0.48810808123954247
Energy: 0.5237679987185044
Energy: 0.46793314842691824
Energy: 0.6140891625563861
Energy: 0.46375984320276686
Energy: 0.4684859724432678
Energy: 0.5240110797168134
Energy: 0.4814784825216819
Energy: 0.46911903669233584
Energy: 0.523228897935035
Energy: 0.4815259677815129
Energy: 0.48131734460839526
Energy: 0.5232668360101032
Energy: 0.4822761003639399
Energy: 0.486188137766828
Energy: 0.5241380540224351
Energy: 0.48731847016757657
Energy: 0.49163330909360725
Energy: 0.5244468651535408
Energy: 0.48789710938229075
Energy: 0.4911015226287914
Energy: 0.5237904450072972
Energy: 0.48439740984538265
Energy: 0.4845140246769752
Energy: 0.5236431508298802
Energy: 0.4846436007228376
Energy: 0.4848795397283686
Energy: 0.5625300806435828
Energy: 0.46875238734331426
Energy: 0.48973916611879303
Energy: 0.5235050087129314
Energy: 0.4850378956028769
Energy: 0.49020924850061487
Energy: 0.5632468141119668
Energy: 0.5092412884883478
Energy: 0.490287394794964
Energy: 0.5146343954951191
Energy: 0.5099780471823488
Energy: 0.4909117317274417
Energy: 0.5621804140770448
Energy: 0.5213880067602126
Energy: 0.5227698013937809
Energy: 0.49093277670073643
Energy: 0.5216236156456053
Energy: 0.5107542873961416
Energy: 0.5621835625662087
Energy: 0.49044744251008127
Energy: 0.49033906084678186
Energy: 0.4886626413928624
Energy: 0.5247273684229199
Energy: 0.46871568321057056

minimum gb energy = 0.46375984320276686 eV
minimum distance =  2.77386147082517 Angstroms
sigma value = 9


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

Energy: 1.0165194096248753
Energy: 0.49502592804789425
Energy: 0.45865311403376247
Energy: 0.45676936632861487
Energy: 0.4947320572173231
Energy: 0.4425663244263765
Energy: 0.48486044784034876
Energy: 0.45629384613580165
Energy: 0.43121604890550636
Energy: 0.4501845275502532
Energy: 0.45644457402095284
Energy: 0.4509250851071259
Energy: 0.4850269876090341
Energy: 0.456787333662945
Energy: 0.4583545924475975
Energy: 0.46077402656339783
Energy: 0.4582373732386098
Energy: 0.45954957399265106
Energy: 0.486241744264271
Energy: 0.43803714506911395
Energy: 0.4308286641440477
Energy: 0.46763682269190726
Energy: 0.4535800702388575
Energy: 0.43073950012075274
Energy: 0.515893303506148
Energy: 0.4430411283400658
Energy: 0.4302008376004194
Energy: 0.45857330465732
Energy: 0.4422452074119281
Energy: 0.45204900171827644
Energy: 0.46033297335689566
Energy: 0.451758289428117
Energy: 0.46092058948439457
Energy: 0.4605867764188295
Energy: 0.4516162625586432
Energy: 0.4445508115388954
Energy: 0.4603678390842637
Energy: 0.4309455066100549
Energy: 0.43047170773171095
Energy: 0.46136774881709897
Energy: 0.43333399483707613
Energy: 0.4711838159807869
Energy: 0.47056065680836384
Energy: 0.450606938556753
Energy: 0.4320205784813113
Energy: 0.46084448702087977
Energy: 0.4558768813796346
Energy: 0.44331516338256954
Energy: 0.5472288971154661
Energy: 0.4500450162404356
Energy: 0.45300771677734647
Energy: 0.45996604500651217
Energy: 0.45271199454455885
Energy: 0.4529132091407072
Energy: 0.44861218200744957
Energy: 0.4343168342295354
Energy: 0.4310827613714283
Energy: 0.45082912343966175
Energy: 0.44714535904991676
Energy: 0.42955302780376464
Energy: 0.44393830397087736
Energy: 0.4607184780747547
Energy: 0.430684355809542
Energy: 0.4523426117926891
Energy: 0.460324113480741
Energy: 0.46293593059409377
Energy: 0.5563508260975903
Energy: 0.46022500396690935
Energy: 0.44505932552269434
Energy: 0.4384205084718622
Energy: 0.46079314922957393
Energy: 0.43104992195357633
Energy: 0.8878416277955327
Energy: 0.4512611440987019
Energy: 0.4305559684121582
Energy: 0.443505427378326
Energy: 0.45184438164489016
Energy: 0.4426957485015378
Energy: 0.5565903147459421
Energy: 0.46370848614292826
Energy: 0.45186013120087065
Energy: 0.4385942476737923
Energy: 0.45999622577709753
Energy: 0.4516457844637718
Energy: 0.45775320075097126
Energy: 0.46153880608338066
Energy: 0.4644248433895078
Energy: 0.45722907234316906
Energy: 0.46290698282541287
Energy: 0.4871642228201835
Energy: 0.45772140853158644
Energy: 0.44974302827882473
Energy: 0.4588445312363986
Energy: 0.4575744911479478
Energy: 0.46006894125547426
Energy: 0.4585315311446243
Energy: 0.4566283076617873
Energy: 0.4306594414131896
Energy: 0.4311359959712714
Energy: 0.4566829538071267
Energy: 0.4382272926368429
Energy: 0.4471064413171285
Energy: 0.48601663345368495
Energy: 0.43292439661188525
Energy: 0.45147872996294236
Energy: 0.4563033708329043
Energy: 0.45386998024289954
Energy: 0.45071181086794493
Energy: 0.4849990870579426
Energy: 0.45075324992384974
Energy: 0.4489260518344223
Energy: 0.45664939001603483
Energy: 0.44953281644287296
Energy: 0.44602079328030003
Energy: 0.485418937761723
Energy: 0.4572246466902579
Energy: 0.46018625259068446
Energy: 0.45637228709501315
Energy: 0.45646314078644273
Energy: 0.4509825837796125
Energy: 0.48461567158917657
Energy: 0.4585207991056309
Energy: 0.44591494537928344
Energy: 0.4587666522156793
Energy: 0.45911835046681376
Energy: 0.44714400654579173
Energy: 0.5167880436774199
Energy: 0.4616322061265721
Energy: 0.4491997362167113
Energy: 0.443790824726016
Energy: 0.45692491354942744
Energy: 0.4296642492590127
Energy: 0.5152130517075216
Energy: 0.45688954326007675
Energy: 0.4542139666712871
Energy: 0.44350919167283653
Energy: 0.4564345943179937
Energy: 0.4295489542423654
Energy: 0.48500620530940985
Energy: 0.4568352000662967
Energy: 0.4588295157782377
Energy: 0.4601904861998962
Energy: 0.4581905751967786
Energy: 0.45171191826023044
Energy: 0.6411741879938229
Energy: 0.4321955636782632
Energy: 0.4375874558905711
Energy: 0.45641280776054105
Energy: 0.45743894969813464
Energy: 0.45790746563903906
Energy: 0.4845693848410539
Energy: 0.43826624132067993
Energy: 0.4309777163473953
Energy: 0.4609387748100799
Energy: 0.4386751047968078
Energy: 0.4516092568386424
Energy: 0.44576239123994954
Energy: 0.4311050719160229
Energy: 0.43099985308129235
Energy: 0.44596550769402216
Energy: 0.4315452958550358
Energy: 0.45615456399573906
Energy: 0.4606773558880284
Energy: 0.43091661945486665
Energy: 0.4308285185760094
Energy: 0.46086121555737075
Energy: 0.438480054084506
Energy: 0.4642450259184401
Energy: 0.46071161716902465
Energy: 0.43102889182102844
Energy: 0.45362549375470984
Energy: 0.46064326163111785
Energy: 0.4484158170995076
Energy: 0.463305191303551
Energy: 0.474115620729722
Energy: 0.4690950901655078
Energy: 0.4324166070719335
Energy: 0.458867286582374
Energy: 0.4573361066467755
Energy: 0.4313106987743841
Energy: 0.4440115419337948
Energy: 0.4380696002839974
Energy: 0.4515805930411069
Energy: 0.45162986674308897
Energy: 0.4485603774198642
Energy: 0.4651838831508639
Energy: 0.44707225064913586
Energy: 0.46026722724356994
Energy: 0.4450342472759074
Energy: 0.4509649477917539
Energy: 0.46014390873248384
Energy: 0.42941963356470586
Energy: 0.5556337080290219
Energy: 0.4602865537866566
Energy: 0.4638836315504268
Energy: 0.4611899974578527
Energy: 0.46173619066034005
Energy: 0.43077484060926013
Energy: 0.4825362500238029
Energy: 0.46031831417690255
Energy: 0.46094419976032597
Energy: 0.4508511289243722
Energy: 0.46020637770490536
Energy: 0.43120142692039226
Energy: 0.4801644270267493
Energy: 0.45118340536248414
Energy: 0.449069522927213
Energy: 0.4491641368636978
Energy: 0.45859676607091904
Energy: 0.4520653312156153
Energy: 0.48163763846624646
Energy: 0.46283027199234467
Energy: 0.4306120085277023
Energy: 0.4681767865568145
Energy: 0.4635844162279754
Energy: 0.43092820611685656
Energy: 0.4576196590378103
Energy: 0.46191113715819504
Energy: 0.45379465239422445
Energy: 0.45796263363997575
Energy: 0.45923411371209705
Energy: 0.4383154360434545
Energy: 0.4568766037595456
Energy: 0.4517615135659019
Energy: 0.44960168493901537
Energy: 0.45660901282984456
Energy: 0.4502148877325968
Energy: 0.45189015440925623
Energy: 0.4793959600857589
Energy: 0.4319230143615887
Energy: 0.4317243217021969
Energy: 0.44581305539291904
Energy: 0.43355810479038726
Energy: 0.4594961925761652
Energy: 0.4850803726470105
Energy: 0.4483726247762854
Energy: 0.4495212863556244
Energy: 0.4567725281872929
Energy: 0.4482105667703258
Energy: 0.4479648882641299
Energy: 0.48450206729899353
Energy: 0.44912577521175195
Energy: 0.4489488365702242
Energy: 0.4555987646711065
Energy: 0.4567352003568581
Energy: 0.45749742148737693
Energy: 0.4855412492203738
Energy: 0.4581726377176479
Energy: 0.45737984844602875
Energy: 0.4400151922651867
Energy: 0.4572829100003455
Energy: 0.45366599076939734
Energy: 0.5152514430581767
Energy: 0.4568634421037493
Energy: 0.45120921183633966
Energy: 0.44340696453383543
Energy: 0.45689040161121364
Energy: 0.4294117793455368

minimum gb energy = 0.4294117793455368 eV
minimum distance =  2.73020173030464 Angstroms
sigma value = 57


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

Energy: 0.40442552797803616
Energy: 0.3779782198922675
Energy: 0.23788869251177241
Energy: 0.23679168546246956
Energy: 0.36398451942360666
Energy: 0.3941476810387365
Energy: 0.5197630482661335
Energy: 0.3663839598952574
Energy: 0.363796710960826
Energy: 0.4133902814666246
Energy: 0.41457950083757017
Energy: 0.38279457103747266
Energy: 0.5212718920950694
Energy: 0.5433388296674296
Energy: 0.378217175681785
Energy: 0.37849168815015
Energy: 0.380051173000919
Energy: 0.528156254241202
Energy: 0.5211533191342079
Energy: 0.5003094901436845
Energy: 0.48227828686083385
Energy: 0.4806623844816161
Energy: 0.4718028910830632
Energy: 0.48636787527382447
Energy: 0.5201676552223479
Energy: 0.3193587520960924
Energy: 0.3061635480906224
Energy: 0.4868965931848084
Energy: 0.23679607088518695
Energy: 0.4896261970555233
Energy: 0.48927508660168595
Energy: 0.3197197621275722
Energy: 0.3214805273085642
Energy: 0.48741409469036223
Energy: 0.2365763777421393
Energy: 0.25018012307154447
Energy: 0.469636169735989
Energy: 0.4889064291385263
Energy: 0.489347297769764
Energy: 0.48771539963055277
Energy: 0.4949125039446458
Energy: 0.48921668026833254
Energy: 0.5584671367428463
Energy: 0.5350879072170602
Energy: 0.49956117047650317
Energy: 0.49009878405155455
Energy: 0.5397832241875502
Energy: 0.4901834501970412
Energy: 0.53321102204797
Energy: 0.5357514111291677
Energy: 0.5356451383914426
Energy: 0.5537684633276332
Energy: 0.5486523999302421
Energy: 0.5414919089227708
Energy: 0.2360409422589659
Energy: 0.549355458873806
Energy: 0.2366332381522944
Energy: 0.23639437095614904
Energy: 0.5693424095729984
Energy: 0.24840890884891484
Energy: 0.23613981197937295
Energy: 0.5483894063641416
Energy: 0.5499215005678466
Energy: 0.23645054776091545
Energy: 0.5403747331953229
Energy: 0.23676217607195188
Energy: 0.5483287129597179
Energy: 0.5483631605251416
Energy: 0.5394396363492565
Energy: 0.5323913672260762
Energy: 0.5417828036492356
Energy: 0.5320284411833891
Energy: 0.49816894673678136
Energy: 0.5046168480077831
Energy: 0.49483579754755125
Energy: 0.537252448213523
Energy: 0.5200252045979847
Energy: 0.5433816634290906
Energy: 0.48142092512547763
Energy: 0.5019422688660256
Energy: 0.48740296755713025
Energy: 0.48719270409169685
Energy: 0.5017775823018468
Energy: 0.48636477588892646
Energy: 0.5036986216269178
Energy: 0.2412467132464789
Energy: 0.23696113073133973
Energy: 0.4929811013708196
Energy: 0.3196016420195997
Energy: 0.3190699073540129
Energy: 0.5026434718113335
Energy: 0.484826121436125
Energy: 0.4878502724299165
Energy: 0.4772144810819671
Energy: 0.31978141312140784
Energy: 0.4932771980645937
Energy: 0.5042404256035448
Energy: 0.49416841599038663
Energy: 0.4887891524302016
Energy: 0.5042824262982036
Energy: 0.43212420660736905
Energy: 0.5184209623557045
Energy: 0.5209570456918919
Energy: 0.3788603544829073
Energy: 0.37832269315418
Energy: 0.3795074527319222
Energy: 0.3781837384782326
Energy: 0.5319494615390512
Energy: 0.40398969595928885
Energy: 0.36611707252867276
Energy: 0.36608826752314666
Energy: 0.2364928050862948
Energy: 0.3644340905891611
Energy: 0.3650800085077482

minimum gb energy = 0.2360409422589659 eV
minimum distance =  2.75716928344714 Angstroms
sigma value = 11


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

Energy: 0.826865326506487
Energy: 0.37559237894100056
Energy: 0.453873657090037
Energy: 0.3950097769180014
Energy: 0.37526505026064394
Energy: 0.45108876029001865
Energy: 0.3719837566219058
Energy: 0.37446995443522746
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Energy: 0.4410487569398284
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Energy: 0.6897159633454364
Energy: 0.40809950869290534
Energy: 0.44049138054948317
Energy: 0.38275928548370397
Energy: 0.4101711703830884
Energy: 0.43852055612554414
Energy: 0.553800128505237
Energy: 0.37940817224716833
Energy: 0.4132446444417993
Energy: 0.3732000491141125
Energy: 0.38290744440195484
Energy: 0.41217662486302825
Energy: 0.48984110112181517
Energy: 0.45168890389104716
Energy: 0.3729379772020181
Energy: 0.45842156348804086
Energy: 0.43714158561843797
Energy: 0.3743281974472009
Energy: 0.550620827465794
Energy: 0.41104888549280644
Energy: 0.4056725744684885
Energy: 0.4013836828391534
Energy: 0.4385680377560811
Energy: 0.4041271185977509
Energy: 0.5164023859826935
Energy: 0.38441793572772787
Energy: 0.3746342836827043
Energy: 0.5458634814778712
Energy: 0.3822570500136455
Energy: 0.4429901719703014
Energy: 0.3733748335672011
Energy: 0.40887993251745386
Energy: 0.4058685844483563
Energy: 0.37401945495330363
Energy: 0.41215318589083716
Energy: 0.40507635715590606
Energy: 0.42250832039715597
Energy: 0.3757828471267693
Energy: 0.37292022364254895
Energy: 0.42314142904976104
Energy: 0.3748113200411402
Energy: 0.37600994029535706
Energy: 0.4368890657435383
Energy: 0.3743517383024958
Energy: 0.3768495829140996
Energy: 0.41946466296522095
Energy: 0.37425530177337213
Energy: 0.37758514192263726
Energy: 0.4196565670494313
Energy: 0.37333230738524115
Energy: 0.37488645717381114
Energy: 0.3788438129169526
Energy: 0.37237694161313317
Energy: 0.36151271361205367

minimum gb energy = 0.36151271361205367 eV
minimum distance =  2.73287170037833 Angstroms
sigma value = 41


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

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Energy: 0.5237286234327659
Energy: 0.3968462688837691
Energy: 0.45766045210895173
Energy: 0.5093903272903351
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Energy: 0.4420989610456459
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Energy: 0.3984239217240577
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Energy: 0.39796909724064505
Energy: 0.4143620899012725
Energy: 0.42429108453720077
Energy: 0.40215921655387943
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Energy: 0.42399423053928825
Energy: 0.38420676835060924
Energy: 0.4423068798434254
Energy: 0.39996460053932964
Energy: 0.3991878626278432
Energy: 0.40961389835967654
Energy: 0.4016772255530435
Energy: 0.39795548781531037
Energy: 0.5729009342462643
Energy: 0.39995481827615775
Energy: 0.4001667547330982
Energy: 0.4014658767227428
Energy: 0.3993735125152625
Energy: 0.39686591281972766
Energy: 0.5724486870610371
Energy: 0.4001715427642977
Energy: 0.39743999347213177
Energy: 0.5016033442398715
Energy: 0.39898413594373994
Energy: 0.39908362993435303
Energy: 0.4392195280699555
Energy: 0.39615797201070424
Energy: 0.40474196181484723
Energy: 0.4093903618860242
Energy: 0.38462876439405397
Energy: 0.399623455818725
Energy: 0.40006842059563835
Energy: 0.4085876545240111
Energy: 0.38263518386101547
Energy: 0.41296105176627684
Energy: 0.40815575088820744
Energy: 0.4072156619570549
Energy: 0.45922360381000565
Energy: 0.3974812407826704
Energy: 0.40032357772229105
Energy: 0.39973692417085466
Energy: 0.4076724633090643
Energy: 0.40011043833419374
Energy: 0.40079703269506123
Energy: 0.39820515923618266
Energy: 0.3970634567031258
Energy: 0.40088989362820293
Energy: 0.39749699203357114
Energy: 0.3978761888558592
Energy: 0.3994053451436501
Energy: 0.3998698466739074
Energy: 0.39950406233708396
Energy: 0.4021986090685128
Energy: 0.4003021309126113
Energy: 0.3982644744804859
Energy: 0.7302803851137774
Energy: 0.3998544219509273
Energy: 0.40857483088767493
Energy: 0.3860100150035805
Energy: 0.4007976782937744
Energy: 0.38344998866679486

minimum gb energy = 0.3816234803387537 eV
minimum distance =  2.73308133992609 Angstroms
sigma value = 33


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

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Energy: 0.4447774662867586
Energy: 0.42769568876419106
Energy: 0.42542317693744586
Energy: 0.4467023674427402
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Energy: 0.4412102808605814
Energy: 0.43213131225984086
Energy: 0.42077879672168866
Energy: 0.4220516762932502
Energy: 0.4110230883213241
Energy: 0.4274257117669449
Energy: 0.42265128196580204
Energy: 0.8884611784644579
Energy: 0.40982435864384814
Energy: 0.40918713954496033
Energy: 0.4091325439940131
Energy: 0.42177516767545137
Energy: 0.408602039364679

minimum gb energy = 0.40823545304408454 eV
minimum distance =  2.73814547857062 Angstroms
sigma value = 67


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

Energy: 0.6060125353741179
Energy: 0.7665974440422401
Energy: 0.45180506303577006
Energy: 0.4581873473795184
Energy: 0.4618282716385077
Energy: 0.4495870187286524
Energy: 0.45866360954941054
Energy: 0.438462141934155
Energy: 0.4382419477044692
Energy: 0.438276517128623
Energy: 0.4387057767628315
Energy: 0.4383470339534786
Energy: 0.4538644632409198
Energy: 0.423111775865338
Energy: 0.43746273209182285
Energy: 0.43822635137921423
Energy: 0.42168883655832134
Energy: 0.4372000807863253
Energy: 0.45385591183175894
Energy: 0.437735441335246
Energy: 0.4373105254071828
Energy: 0.4365325618731938
Energy: 0.43803790474117876
Energy: 0.43732049409137086
Energy: 0.4566947145568701
Energy: 0.43861096233469077
Energy: 0.43964478634186416
Energy: 0.45708543925478745
Energy: 0.4387072523777286
Energy: 0.43969278714046184
Energy: 0.4580770031875985
Energy: 0.44237944348178215
Energy: 0.4399407394879397
Energy: 0.4584884437112965
Energy: 0.44139036226980105
Energy: 0.4398946271412552
Energy: 0.4838588578134205
Energy: 0.43895952501887386
Energy: 0.4383022685117108
Energy: 0.4206462488474252
Energy: 0.43894112448114714
Energy: 0.4381155176973528

minimum gb energy = 0.4206462488474252 eV
minimum distance =  2.77395010269151 Angstroms
sigma value = 3


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

Energy: 0.6918263628909697
Energy: 0.8091111838389379
Energy: 0.499344602885729
Energy: 0.4826175627331632
Energy: 0.8084783856912425
Energy: 0.49041136874600233
Energy: 0.5146186634010889
Energy: 0.5100345942130391
Energy: 0.49386789969256367
Energy: 0.5069032557237863
Energy: 0.5151029269754739
Energy: 0.48618946585397316
Energy: 0.5247558913996162
Energy: 0.492813354580105
Energy: 0.4928132865688064
Energy: 0.5211575739962927
Energy: 0.49167002969966705
Energy: 0.4843739137821879
Energy: 0.48612546484121294
Energy: 0.4838522268537564
Energy: 0.48503701496308255
Energy: 0.48625486968131576
Energy: 0.49438177622354484
Energy: 0.4851182128964528
Energy: 0.49429709334764693
Energy: 0.4843236037319825
Energy: 0.4774627606511429
Energy: 0.494204479078924
Energy: 0.48470768252659163
Energy: 0.4794332163789371
Energy: 0.48282022297454075
Energy: 0.4791570563372449
Energy: 0.4795060241507336
Energy: 0.483394784738554
Energy: 0.48416202276549714
Energy: 0.48502116616275587
Energy: 0.4849743210233879
Energy: 0.4870943177936682
Energy: 0.48507919567974744
Energy: 0.4850300641223723
Energy: 0.4955243996740095
Energy: 0.489230129174808
Energy: 0.6683530446910697
Energy: 0.5288135109252143
Energy: 0.5239860602740111
Energy: 0.47838365168297164
Energy: 0.48902388078684467
Energy: 0.5204702636136614
Energy: 0.4892010695247411
Energy: 0.4786154430166594
Energy: 0.478191398390281
Energy: 0.4868188832246352
Energy: 0.49178360798772597
Energy: 0.4994034895920214
Energy: 0.5504921566496768
Energy: 0.4778913640326437
Energy: 0.4782676989838876
Energy: 0.5196904578623559
Energy: 0.477937322123682
Energy: 0.4971062787466478
Energy: 0.49922849976663686
Energy: 0.4826522694165681
Energy: 0.4866122697283546
Energy: 0.4994544145422411
Energy: 0.4754791960732992
Energy: 0.48817559041934216
Energy: 0.5084119811599298
Energy: 0.48153251273182973
Energy: 0.48037742777982456
Energy: 0.48474717924189686
Energy: 0.4837846389683437
Energy: 0.4788647169479632
Energy: 0.49529204416294137
Energy: 0.4799164074414815
Energy: 0.47895744224771797
Energy: 0.4800927305567927
Energy: 0.48056467143872983
Energy: 0.47888904364105644
Energy: 0.5158900827424869
Energy: 0.482815683934145
Energy: 0.47964561877953105
Energy: 0.48871104407819294
Energy: 0.4806744561833296
Energy: 0.4798319980795659
Energy: 0.5647598368295298
Energy: 0.4851041713376411
Energy: 0.556376029956239
Energy: 0.4881581227409169
Energy: 0.48317025398626673
Energy: 0.4816552339307697
Energy: 0.5100750286761115
Energy: 0.5025544528527067
Energy: 0.5020363274585148
Energy: 0.5075699345658222
Energy: 0.5108201394359283
Energy: 0.48422272070021544
Energy: 0.5636698796659809
Energy: 0.48139332213749625
Energy: 0.48209907596551416
Energy: 0.5641973374361609
Energy: 0.4886173211653205
Energy: 0.4953724149935147
Energy: 0.48897196603855525
Energy: 0.4988980514702911
Energy: 0.48418160144095596
Energy: 0.49664246254785666
Energy: 0.48258955545577625
Energy: 0.4848046953242987
Energy: 0.555428956675295
Energy: 0.4900207349136154
Energy: 0.4899823453783716
Energy: 0.5140807649314295
Energy: 0.5174626237905944
Energy: 0.47946250330689866
Energy: 0.5432756398499553
Energy: 0.48327735237523217
Energy: 0.48381985377512604
Energy: 0.4934996597938002
Energy: 0.4845887387439516
Energy: 0.47900388401266814
Energy: 0.4894277623112741
Energy: 0.4850105969319828
Energy: 0.482799766657913
Energy: 0.4819523655503754
Energy: 0.48368029284785197
Energy: 0.4847493142439223
Energy: 0.48915564905179415
Energy: 0.48650668559463545
Energy: 0.48391779346029506
Energy: 0.488685074176651
Energy: 0.48502835440461783
Energy: 0.48290886697375074
Energy: 0.4946619334253364
Energy: 0.49498232565661193
Energy: 0.49413891503982404
Energy: 0.49432557549709044
Energy: 0.49647116693362014
Energy: 0.4917172312857279
Energy: 0.4929459723112276
Energy: 0.4797429038413253
Energy: 0.4796845841196031
Energy: 0.4933937050454394
Energy: 0.47961586683439755
Energy: 0.4923074943714473
Energy: 0.5010953703053689
Energy: 0.48828882500563037
Energy: 0.4846430938715012
Energy: 0.48586437084513034
Energy: 0.5039988315193069
Energy: 0.4853077052872458
Energy: 0.5830683370469465
Energy: 0.5107943958134548
Energy: 0.5164956117056021
Energy: 0.4899494431301571
Energy: 0.4824840038559018
Energy: 0.48966364111124594
Energy: 0.4710659736436833
Energy: 0.4972399894543403
Energy: 0.5048859861079302
Energy: 0.4945177546043019
Energy: 0.49707742437518054
Energy: 0.48972742136519887
Energy: 0.4921355159977973
Energy: 0.4848794009497211
Energy: 0.4858903864377137
Energy: 0.4846415747390403
Energy: 0.48329285387438864
Energy: 0.4874974339022496
Energy: 0.4929710926636082
Energy: 0.4933833294872373
Energy: 0.48871374668330547
Energy: 0.49280750257596445
Energy: 0.4933920371937462
Energy: 0.4929959421298214
Energy: 0.4927491667499989
Energy: 0.49863879408033157
Energy: 0.492046592929035
Energy: 0.49361440587250344
Energy: 0.49408113732055353
Energy: 0.49243450659786925
Energy: 0.4920643729085743
Energy: 0.4925325575282161
Energy: 0.4913207780597197
Energy: 0.4922339048890072
Energy: 0.4952725640384571
Energy: 0.48912233653621895
Energy: 0.5020864657791836
Energy: 0.4888108252542758
Energy: 0.4900653553883577
Energy: 0.4846752685401092
Energy: 0.4886250642043399
Energy: 0.48529772326433723
Energy: 0.5709783344567322
Energy: 0.4877743663389008
Energy: 0.49708132252535736
Energy: 0.4790779281161609
Energy: 0.5190698617511924
Energy: 0.48071805754328345
Energy: 0.4969285394875017
Energy: 0.4801879495693502
Energy: 0.47857626508633994
Energy: 0.5011274335177861
Energy: 0.51232661842197
Energy: 0.4850397069673064
Energy: 0.49017591701544505
Energy: 0.49923036271799626
Energy: 0.5064023052278999
Energy: 0.4883551399737721
Energy: 0.497923403292961
Energy: 0.4841913651095129
Energy: 0.5117622993939452
Energy: 0.4779214663277824
Energy: 0.47786077755960854
Energy: 0.5120770545186248
Energy: 0.47785036137457737
Energy: 0.4853932569660959
Energy: 0.5089938115220042
Energy: 0.47975081146572945
Energy: 0.4786083112976397
Energy: 0.5006634553115014
Energy: 0.4775273687733988
Energy: 0.4793351248209661
Energy: 0.49497068283438184
Energy: 0.47915188120705343
Energy: 0.47898981643341704
Energy: 0.47320233689282243
Energy: 0.4799269820014957
Energy: 0.4800703080127962
Energy: 0.5205232408960031
Energy: 0.47896215514026463
Energy: 0.47839711597347506
Energy: 0.49281098325422923
Energy: 0.48411070504259013
Energy: 0.4786877486304914
Energy: 0.5190930870856648
Energy: 0.4813082697885862
Energy: 0.4813348048949796
Energy: 0.4861247383163194
Energy: 0.4809948317514259
Energy: 0.4807264985181023
Energy: 0.5549957123845618
Energy: 0.48487120245714943
Energy: 0.4843526755939914
Energy: 0.5015417134229292
Energy: 0.5023100361572163
Energy: 0.4834112945701309
Energy: 0.5217008104542121
Energy: 0.4864051126707141
Energy: 0.4887659208710923
Energy: 0.4968226782031275
Energy: 0.49574894886821247
Energy: 0.48067274667845855
Energy: 0.605332935238221
Energy: 0.48806315004624967
Energy: 0.48174101115634016
Energy: 0.5602146411863996
Energy: 0.48841046122221293
Energy: 0.511055873957476
Energy: 0.5293459468412323
Energy: 0.5061740313203331
Energy: 0.5055168899950389
Energy: 0.4843524400303622
Energy: 0.5085153025509028
Energy: 0.5020637206512001
Energy: 0.6682050292974662
Energy: 0.4813850205390304
Energy: 0.5068488773904697
Energy: 0.5272219136201803
Energy: 0.4802801961448965
Energy: 0.4761698276357284
Energy: 0.4867177816582765
Energy: 0.4823887729602913
Energy: 0.4829074756437665
Energy: 0.48592097791811606
Energy: 0.48433341265014707
Energy: 0.48428271843563436
Energy: 0.47809167216590265
Energy: 0.4813086969700544
Energy: 0.4813136587971991
Energy: 0.4818406615950125
Energy: 0.4790010039639087
Energy: 0.4810992751123871
Energy: 0.47845879011516196
Energy: 0.4825798669107044
Energy: 0.48126153834540836
Energy: 0.4796087315749748
Energy: 0.4789547762017802
Energy: 0.48100519571599276
Energy: 0.47868729893517403
Energy: 0.48012837273980447
Energy: 0.47971488863391365
Energy: 0.47893262424489935
Energy: 0.48709727172817696
Energy: 0.47890230652484783
Energy: 0.4869828313280284
Energy: 0.47864017718682983
Energy: 0.4786053442260205
Energy: 0.4898016095924806
Energy: 0.47829332104777145
Energy: 0.48844077865291696
Energy: 0.49546706431455734
Energy: 0.5023775205167201
Energy: 0.4984169037124092
Energy: 0.4987681852447318
Energy: 0.5095464381954087
Energy: 0.4855019255919387

minimum gb energy = 0.4710659736436833 eV
minimum distance =  2.71354483468663 Angstroms
sigma value = 81


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

Energy: 0.8471178295319202
Energy: 0.5072474385574763
Energy: 0.4425695511426892
Energy: 0.4404368463419182
Energy: 0.7068494933097156
Energy: 0.47412035497673954
Energy: 0.502452864831425
Energy: 0.4696503714326696
Energy: 0.4704375921061991
Energy: 0.4687990887163839
Energy: 0.47231304202479313
Energy: 0.47326883448523877
Energy: 0.5107561642977503
Energy: 0.47864880758059775
Energy: 0.4782628529431687
Energy: 0.4688539717294973
Energy: 0.4783474106845955
Energy: 0.4645646852230127
Energy: 0.5048520705142886
Energy: 0.4774408763199677
Energy: 0.5095434869591469
Energy: 0.5063308591158311
Energy: 0.47611919337366904
Energy: 0.4661727047166522
Energy: 0.5027730482144258
Energy: 0.5033875802800002
Energy: 0.5048676061828041
Energy: 0.5041626001178255
Energy: 0.5038632709713038
Energy: 0.5016044687459994
Energy: 0.5031524208241962
Energy: 0.5031869191685394
Energy: 0.5022572114905892
Energy: 0.5070479276961437
Energy: 0.5013080127022443
Energy: 0.5027376213547601
Energy: 0.5024734136289224
Energy: 0.5085432933318679
Energy: 0.5021939425653051
Energy: 0.5362696516034009
Energy: 0.5125433670455474
Energy: 0.5055305061733927
Energy: 0.6106006265812044
Energy: 0.5007682315640685
Energy: 0.5600119247178944
Energy: 0.47341141989404983
Energy: 0.5607150476227268
Energy: 0.4691775803507973
Energy: 0.5019999020670284
Energy: 0.5260435823242275
Energy: 0.5048693072621767
Energy: 0.5331611095693095
Energy: 0.5221291281814412
Energy: 0.49960711626235405
Energy: 0.5173833737793875
Energy: 0.43770171972853666
Energy: 0.4381615696006715
Energy: 0.5104544504965556
Energy: 0.43767489139902993
Energy: 0.44041867881115326
Energy: 0.5080248374996501
Energy: 0.4470067035588465
Energy: 0.43906293782942063
Energy: 0.5074389517912289
Energy: 0.4494650162830991
Energy: 0.49954309676261216
Energy: 0.4746710945340942
Energy: 0.5381366457453216
Energy: 0.53842152510918
Energy: 0.47440182768799993
Energy: 0.5326998755130935
Energy: 0.5307373437626499
Energy: 0.4736703075507797
Energy: 0.5125462578212264
Energy: 0.5097898195262927
Energy: 0.4769922851773142
Energy: 0.5085806077226941
Energy: 0.4776948498097478
Energy: 0.5067653360839367
Energy: 0.5058389609179683
Energy: 0.5042601665067376
Energy: 0.5057935527989758
Energy: 0.5034661598982185
Energy: 0.5044838835929408
Energy: 0.5722270049905702
Energy: 0.5121166216473408
Energy: 0.5065792088908777
Energy: 0.5068414048793864
Energy: 0.5054099176307818
Energy: 0.5060050650225195
Energy: 0.5083858258168913
Energy: 0.5051622712229256
Energy: 0.5055462823410322
Energy: 0.5078267583948748
Energy: 0.5347524700240256
Energy: 0.5052344883721229
Energy: 0.5747817898809227
Energy: 0.4699932182561213
Energy: 0.4810452628308171
Energy: 0.5746865629550199
Energy: 0.4792534107298527
Energy: 0.485713140853035
Energy: 0.49959695984456176
Energy: 0.5009384049725598
Energy: 0.5055419512022176
Energy: 0.5348739032909697
Energy: 0.5237487811751967
Energy: 0.5364338457531496
Energy: 0.5362606221014402
Energy: 0.5048146221949673
Energy: 0.43930572469284385
Energy: 0.44985860149552487
Energy: 0.5043096730458945
Energy: 0.4391889271218452
Energy: 0.5668810987782139
Energy: 0.5054616821321073
Energy: 0.4406255062810174
Energy: 0.4412084235952123
Energy: 0.5048726077957983
Energy: 0.4389853671218065
Energy: 0.4960820203967633
Energy: 0.5037406608734146
Energy: 0.5036883462616283
Energy: 0.5277602377800442
Energy: 0.4963550772662817
Energy: 0.527748244481677
Energy: 0.5067789465701384
Energy: 0.4800987847734896
Energy: 0.47913717804016737
Energy: 0.5050644529374556
Energy: 0.4794252052102212
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Energy: 0.5044828307483232
Energy: 0.5058545828362568
Energy: 0.5044264433691398
Energy: 0.5045132910006439
Energy: 0.5059500447444967
Energy: 0.5045877894259431
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Energy: 0.5043810604544071
Energy: 0.5070313486759807
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Energy: 0.5069316441046284
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Energy: 0.504395079674157
Energy: 0.5456064424888498
Energy: 0.5432040551795012
Energy: 0.5444746845579459
Energy: 0.4724324206655379
Energy: 0.5432098183981032
Energy: 0.5335519608899354
Energy: 0.5455144291364369
Energy: 0.5728569810381738
Energy: 0.5729434361887256
Energy: 0.49608206846885605
Energy: 0.5655281377659036
Energy: 0.5670409316449191
Energy: 0.5047008759068575
Energy: 0.45446267198068674
Energy: 0.500318131273934
Energy: 0.5069660811366969
Energy: 0.4493353652388542
Energy: 0.49931913980570897
Energy: 0.5082991084083758
Energy: 0.43813372873904294
Energy: 0.4380844202992933
Energy: 0.5059497972990589
Energy: 0.4375014247818547
Energy: 0.4398932571435931
Energy: 0.5059213850328923
Energy: 0.5260313866870542
Energy: 0.5029034300228651
Energy: 0.5105017691130688
Energy: 0.5215133799752855
Energy: 0.5056637463518413
Energy: 0.47364138834595954
Energy: 0.5299157448201994
Energy: 0.5238817630665538
Energy: 0.47850749675218895
Energy: 0.5515468871048255
Energy: 0.47849952506671606
Energy: 0.5067904857795683
Energy: 0.5025340258832662
Energy: 0.5010335543533294
Energy: 0.51292030785336
Energy: 0.502197462478996
Energy: 0.5023827646291616
Energy: 0.5707879202699513
Energy: 0.5000306755493534
Energy: 0.4992116957745929
Energy: 0.5063336687544979
Energy: 0.5033477742665218
Energy: 0.5009004550493206
Energy: 0.5707030004256671
Energy: 0.501610864739664
Energy: 0.504606018344162
Energy: 0.5172508222438122
Energy: 0.5033262779119991
Energy: 0.5020375665845831
Energy: 0.5084294665546025
Energy: 0.4694720810240732
Energy: 0.5012472028954637
Energy: 0.543576304149029
Energy: 0.4780107693181362
Energy: 0.4700633535749171
Energy: 0.5768050926423126
Energy: 0.47867126262177473
Energy: 0.4796163454723116
Energy: 0.5281349092212259
Energy: 0.4775730227477967
Energy: 0.49846833648708505
Energy: 0.5029423451841453
Energy: 0.4696914504549287
Energy: 0.47084365913427945
Energy: 0.46550988638886454
Energy: 0.47201541948856796
Energy: 0.47120870366107986
Energy: 0.6010332659304047
Energy: 0.4785954990031668
Energy: 0.4394654375763316
Energy: 0.4374744302603739
Energy: 0.47857215601963443
Energy: 0.47599211892163734

minimum gb energy = 0.4374744302603739 eV
minimum distance =  2.73126139787967 Angstroms
sigma value = 43


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

Energy: 0.8625923337644142
Energy: 0.563536198161715
Energy: 0.47180481721075357
Energy: 0.4707208672874516
Energy: 0.5631147568991886
Energy: 0.4703636294168454
Energy: 0.45874144942225636
Energy: 0.47321806149492024
Energy: 0.4729315747357041
Energy: 0.492279912033041
Energy: 0.46080476737670106
Energy: 0.4652517902272445
Energy: 0.4589921663112817
Energy: 0.4590573119234821
Energy: 0.45711921722756993
Energy: 0.48272198833089963
Energy: 0.4588814059236277
Energy: 0.4600983864814764
Energy: 0.46457412698872963
Energy: 0.4546189719074437
Energy: 0.4649748731656323
Energy: 0.46093095588343913
Energy: 0.4793209241942455
Energy: 0.4608978691496704
Energy: 0.4595490726947574
Energy: 0.4649206180161547
Energy: 0.4657639979805412
Energy: 0.45982748927508366
Energy: 0.4647411031623119
Energy: 0.4652702258519991
Energy: 0.4608521439450669
Energy: 0.46721230005554343
Energy: 0.46526597539938036
Energy: 0.4639477115701359
Energy: 0.4637249040046221
Energy: 0.46472018735230197
Energy: 0.45896790949053223
Energy: 0.462253873365984
Energy: 0.46315965529015346
Energy: 0.4654594501173534
Energy: 0.4590396949175836
Energy: 0.4642974939385915
Energy: 0.5247828519578386
Energy: 0.4599054575219171
Energy: 0.45988336842132793
Energy: 0.47626987061777154
Energy: 0.45982122578207124
Energy: 0.4595581803096533
Energy: 0.4582468012284921
Energy: 0.4592129946143863
Energy: 0.459524927344508
Energy: 0.46122202885606267
Energy: 0.49259669826114205
Energy: 0.46269714406572715
Energy: 0.5267703304242918
Energy: 0.4643648966976964
Energy: 0.46436749256391024
Energy: 0.5018640591388911
Energy: 0.4650700103047111
Energy: 0.49296028750099075
Energy: 0.46828305402181364
Energy: 0.4676107606175516
Energy: 0.48109421861178314
Energy: 0.4625467668018349
Energy: 0.46138675220521436
Energy: 0.4637744482498242
Energy: 0.4701976668935305
Energy: 0.4611875982897891
Energy: 0.4612703027022306
Energy: 0.4656687389405896
Energy: 0.4610977469935331
Energy: 0.46159673425594394
Energy: 0.5408441429611481
Energy: 0.459774009532515
Energy: 0.4676717275927976
Energy: 0.46030248663174334
Energy: 0.4623989984125566
Energy: 0.4676809758387742
Energy: 0.46831705908516513
Energy: 0.46307751183295376
Energy: 0.46587722140687027
Energy: 0.4619701360453086
Energy: 0.45910031067327906
Energy: 0.461201164454256
Energy: 0.47008919351884343
Energy: 0.47104069335451965
Energy: 0.4800395295683692
Energy: 0.47294968140900984
Energy: 0.4645816162341149
Energy: 0.47213018822421626
Energy: 0.4672519071426536
Energy: 0.4683905297190082
Energy: 0.46496136207715516
Energy: 0.46731979179958516
Energy: 0.46895431939119486
Energy: 0.4668967187608954
Energy: 0.4670107847531308
Energy: 0.4657151950426261
Energy: 0.4809752972787659
Energy: 0.46725067015540034
Energy: 0.46860066654557386
Energy: 0.4812487135417928
Energy: 0.46648151106839486
Energy: 0.47640911740827163
Energy: 0.4763837897935055
Energy: 0.47040355285144597
Energy: 0.4699482535442608
Energy: 0.47579209027592995
Energy: 0.4688174868742193
Energy: 0.4668704734983557
Energy: 0.46859546578173267
Energy: 0.4687525434398012
Energy: 0.4669572826029883
Energy: 0.4630487059076152
Energy: 0.536053725230699
Energy: 0.46686724823531484
Energy: 0.4750534950773282
Energy: 0.47214909872298677
Energy: 0.46711684165646367
Energy: 0.46284468996933975
Energy: 0.4663159107416571
Energy: 0.4708936858601276
Energy: 0.47854240972051054
Energy: 0.47809868326411503
Energy: 0.46730281107940536
Energy: 0.476421476595159
Energy: 0.5237400056183722
Energy: 0.46893880283854383
Energy: 0.47293083976113487
Energy: 0.5238518876030519
Energy: 0.4577919776958998
Energy: 0.5307974761597121
Energy: 0.48071647102479215
Energy: 0.47168099826472965
Energy: 0.4703831587130911
Energy: 0.47075244143822653
Energy: 0.4801902996563802
Energy: 0.48048986270904553
Energy: 0.5047535708659229
Energy: 0.475841168173781
Energy: 0.47560999244423596
Energy: 0.49023835965258455
Energy: 0.46683419881166865
Energy: 0.4751543746549228
Energy: 0.5145305340973323
Energy: 0.46692794575480806
Energy: 0.46685053587083974
Energy: 0.4700020866288562
Energy: 0.4667903031374413
Energy: 0.47545988111300536
Energy: 0.4862158450517032
Energy: 0.47344115252056346
Energy: 0.476677431764656
Energy: 0.46559228966235133
Energy: 0.4678021831296305
Energy: 0.4813178662888008
Energy: 0.4861719161910852
Energy: 0.46384229733081056
Energy: 0.4766716468736421
Energy: 0.4711532202263253
Energy: 0.47319390212980833
Energy: 0.47689013097347416
Energy: 0.49683835958894873
Energy: 0.4665874292412606
Energy: 0.4671885760710415
Energy: 0.45955793438850634
Energy: 0.46739005229574454
Energy: 0.4640636899409826
Energy: 0.4600864876690982
Energy: 0.46187812950916685
Energy: 0.4614833420537584
Energy: 0.4600264277306645
Energy: 0.4768992508972609
Energy: 0.46140061722494663
Energy: 0.46034563753322616
Energy: 0.4672052414427622
Energy: 0.46669967530862416
Energy: 0.4919950601469165
Energy: 0.4612087168528941
Energy: 0.464075955858861
Energy: 0.4608279530340771
Energy: 0.4870967802750592
Energy: 0.4697253189054005
Energy: 0.4723740954664406
Energy: 0.49897941344138036
Energy: 0.4788279553660386

minimum gb energy = 0.4546189719074437 eV
minimum distance =  2.71877690185183 Angstroms
sigma value = 57


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

Energy: 0.7120133656112998
Energy: 0.5203968995780469
Energy: 0.4743057284400137
Energy: 0.4534810123390225
Energy: 0.5203045349376921
Energy: 0.5296005350890811
Energy: 0.5506162944340136
Energy: 0.46644718419571984
Energy: 0.47100621501014167
Energy: 0.4721617067590187
Energy: 0.4665628853562492
Energy: 0.46578541676337193
Energy: 0.5447605436707706
Energy: 0.4871177454324431
Energy: 0.4862301294347586
Energy: 0.4627750862708687
Energy: 0.48570590710206174
Energy: 0.4859158338253549
Energy: 0.5514977294977431
Energy: 0.48703229943620585
Energy: 0.48562086494211737
Energy: 0.5534456338936095
Energy: 0.4875660298455782
Energy: 0.4653405330404428
Energy: 0.5467428816429405
Energy: 0.5338976626130122
Energy: 0.5389738676644745
Energy: 0.4628876275407456
Energy: 0.4608347142265276
Energy: 0.5361243844775891
Energy: 0.48449713692585744
Energy: 0.5312369012132522
Energy: 0.5324264446219723
Energy: 0.5358480710574396
Energy: 0.5308255722726581
Energy: 0.5295002259733469
Energy: 0.5651225190293251
Energy: 0.5416239450180234
Energy: 0.5321635376347091
Energy: 0.5329228290861224
Energy: 0.5416466015908598
Energy: 0.531777627799944
Energy: 0.5074677162828858
Energy: 0.5526016516558191
Energy: 0.5569805074164939
Energy: 0.5054572974606213
Energy: 0.558322131588411
Energy: 0.5531814257296435
Energy: 0.5568515118276459
Energy: 0.5547617281117669
Energy: 0.5410121965626126
Energy: 0.5432594559248817
Energy: 0.5557913937979269
Energy: 0.5394990438303532
Energy: 0.6396650589325795
Energy: 0.512900355240226
Energy: 0.5154198132858309
Energy: 0.583026823158675
Energy: 0.5054099729258614
Energy: 0.5150233322557243
Energy: 0.5217167224439511
Energy: 0.5005429125910135
Energy: 0.5324632221569817
Energy: 0.5762626844079912
Energy: 0.5012615891763547
Energy: 0.5789008875953185
Energy: 0.44722580429496406
Energy: 0.5432561085274461
Energy: 0.5421593339551176
Energy: 0.4485729053191064
Energy: 0.542565990185523
Energy: 0.4701094825875077
Energy: 0.4461858053665062
Energy: 0.5418840091739684
Energy: 0.47066884033450823
Energy: 0.4376788687036965
Energy: 0.5412947549505613
Energy: 0.4697708353565884
Energy: 0.5294453892340272
Energy: 0.532278248393477
Energy: 0.5320630233054933
Energy: 0.5756141005302041
Energy: 0.5666099485789275
Energy: 0.5341461470009035
Energy: 0.5481861423657226
Energy: 0.48990989565087745
Energy: 0.49085792108342563
Energy: 0.5998366973961107
Energy: 0.487210588488135
Energy: 0.491572350800607
Energy: 0.5506847785398606
Energy: 0.5386217261333
Energy: 0.5389433312439762
Energy: 0.5514827205764496
Energy: 0.5395716925412749
Energy: 0.5414203248432441
Energy: 0.547812814546344
Energy: 0.5378638196223603
Energy: 0.540221118308263
Energy: 0.5402231875275243
Energy: 0.5383464376440825
Energy: 0.5389669317776812
Energy: 0.5667365688620098
Energy: 0.5309653267937279
Energy: 0.5309482945558792
Energy: 0.5400099800423779
Energy: 0.5426675221437561
Energy: 0.5430434065277091
Energy: 0.5591112197281313
Energy: 0.5429827694284903
Energy: 0.548426161428648
Energy: 0.5386232827588392
Energy: 0.5423693252038405
Energy: 0.5491042112193512
Energy: 0.5591568058706751
Energy: 0.5497745883031946
Energy: 0.5536304041344497
Energy: 0.5390001636062245
Energy: 0.5531798617999177
Energy: 0.5503638965960782
Energy: 0.5573400427284914
Energy: 0.4668581219744126
Energy: 0.5377663666286933
Energy: 0.5592737592370413
Energy: 0.4669934330002534
Energy: 0.469161556835973
Energy: 0.6346910534405736
Energy: 0.5152898911370712
Energy: 0.5161609838455413
Energy: 0.5169442580441334
Energy: 0.5153761649506647
Energy: 0.5025011932202951
Energy: 0.5450707197028948
Energy: 0.4663792989846123
Energy: 0.47145431279252753
Energy: 0.4740796799450375
Energy: 0.46674968709445175
Energy: 0.4631685530349015
Energy: 0.5034299736057909
Energy: 0.4676507097141588
Energy: 0.47055517437474437
Energy: 0.437719285379181
Energy: 0.479623143649901
Energy: 0.5210993449535288

minimum gb energy = 0.4376788687036965 eV
minimum distance =  2.70653263379501 Angstroms
sigma value = 17


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

Energy: 0.43069677228261705
Energy: 0.7136900939829222
Energy: 0.5629063236300327
Energy: 0.45604967249232287
Energy: 0.5453101222340159
Energy: 0.45572296404349066
Energy: 0.47960063738484593
Energy: 0.4868191552312894
Energy: 0.45728963417740276
Energy: 0.5067134183419908
Energy: 0.4891534995159221
Energy: 0.4648063737173228
Energy: 0.4907078491646159
Energy: 0.4331039181197187
Energy: 0.4330693072378252
Energy: 0.4933172377681191
Energy: 0.4330658491475881
Energy: 0.43751951328491073
Energy: 0.4929275034128063
Energy: 0.43818986192935183
Energy: 0.4449184027436153
Energy: 0.49295754228215516
Energy: 0.41537497589877564
Energy: 0.4623804803531424
Energy: 0.4456271107222476
Energy: 0.4346946379588213
Energy: 0.42970565302118213
Energy: 0.4464060287076206
Energy: 0.4304539666416774
Energy: 0.4286493704417727
Energy: 0.4430602194100444
Energy: 0.4329902766204635
Energy: 0.4320510944855151
Energy: 0.4194121810473634
Energy: 0.44346452562567945
Energy: 0.41691756753444953
Energy: 0.44201661640166573
Energy: 0.4410034258482319
Energy: 0.4300213292327102
Energy: 0.44035911722698534
Energy: 0.4428986841741158
Energy: 0.42643823000056585
Energy: 0.42833580067913785
Energy: 0.4160965709981074
Energy: 0.41621835667042456
Energy: 0.4165171170102326
Energy: 0.41707927324648697
Energy: 0.41603250563424804
Energy: 0.44175983133288793
Energy: 0.41474431357832275
Energy: 0.415017463799902
Energy: 0.44243440339371926
Energy: 0.41490060477697177
Energy: 0.4270344367423862
Energy: 0.44308469657068106
Energy: 0.43224476003069623
Energy: 0.4321937677820213
Energy: 0.4430887894823421
Energy: 0.43250250994188855
Energy: 0.4317559889585115
Energy: 0.436266575242248
Energy: 0.4280123909134065
Energy: 0.42850040526129646
Energy: 0.4381118345420796
Energy: 0.5060144546177371
Energy: 0.42953713645183966
Energy: 0.4468425339346228
Energy: 0.4937046108073497
Energy: 0.49352013273777595
Energy: 0.42908892566900325
Energy: 0.49352189190165185
Energy: 0.4625460674814348
Energy: 0.44896982112394623
Energy: 0.49012008950318586
Energy: 0.4895749773369483
Energy: 0.4274534093966293
Energy: 0.49320877831460486
Energy: 0.48980923625617
Energy: 0.5048774714365689
Energy: 0.499413521117874
Energy: 0.4482311297376953
Energy: 0.506584797359888
Energy: 0.5125004005690634
Energy: 0.44820965052115713
Energy: 0.4756712783078749
Energy: 0.4884411849336801
Energy: 0.4984455439156238
Energy: 0.48822388389809973
Energy: 0.49660957387537324
Energy: 0.4830209284693303
Energy: 0.48067429445846616
Energy: 0.5088391018538309
Energy: 0.45394063598037837
Energy: 0.48924292677946285
Energy: 0.5086991129180211
Energy: 0.49193314889822537
Energy: 0.49850010186314964
Energy: 0.4894872338326414
Energy: 0.5208677562513144
Energy: 0.4391455839378812
Energy: 0.4867783944038027
Energy: 0.520841809066602

minimum gb energy = 0.41474431357832275 eV
minimum distance =  2.69565650555199 Angstroms
sigma value = 17


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

Energy: 0.8145537817452014
Energy: 0.6088024937834636
Energy: 0.4488390992185648
Energy: 0.4361889954383819
Energy: 0.5950652200175776
Energy: 0.4223466835655856
Energy: 0.5414291115681032
Energy: 0.48539531604071173
Energy: 0.4072380324149016
Energy: 0.5045663466577807
Energy: 0.4879266068317007
Energy: 0.44889423289962094
Energy: 0.6012744339089988
Energy: 0.39124194018679936
Energy: 0.4159270400472786
Energy: 0.5054770572957914
Energy: 0.3913751017647609
Energy: 0.41632866528282625
Energy: 0.5024288847093035
Energy: 0.4391737272704305
Energy: 0.43933433275758826
Energy: 0.5032763934545961
Energy: 0.3934925517457125
Energy: 0.4432708502546884
Energy: 0.4364193850900107
Energy: 0.4104600959532497
Energy: 0.4078118986536357
Energy: 0.43672163777085066
Energy: 0.4233198922282225
Energy: 0.4085291063346045
Energy: 0.41588039370726543
Energy: 0.4061631026974155
Energy: 0.38913200242059914
Energy: 0.3904322130159252
Energy: 0.4301300739558345
Energy: 0.3898647966119763
Energy: 0.40130454871790955
Energy: 0.4352676025159459
Energy: 0.43045559606817785
Energy: 0.38888671654869156
Energy: 0.43245072048746286
Energy: 0.38610610922837874
Energy: 0.412614252619
Energy: 0.37955897769915253
Energy: 0.38408506415198357
Energy: 0.38699697454789167
Energy: 0.3805454768576764
Energy: 0.38404507490113915
Energy: 0.4023906460595741
Energy: 0.3844990692353192
Energy: 0.38722641429947996
Energy: 0.40314611505047593
Energy: 0.39377686274376184
Energy: 0.40164051330481715
Energy: 0.40138810359922505
Energy: 0.38371974500445605
Energy: 0.3841461680591136
Energy: 0.40145436142951313
Energy: 0.3833975142774145
Energy: 0.38375600821254896
Energy: 0.4137378211368041
Energy: 0.4035273668570877
Energy: 0.3830124152123831
Energy: 0.38216806222836586
Energy: 0.4015974806245233
Energy: 0.3832837366990784
Energy: 0.40357943278470104
Energy: 0.4017653887728362
Energy: 0.40178333532895516
Energy: 0.40454107918109167
Energy: 0.40505568577707546
Energy: 0.38675393267541514
Energy: 0.41010613965923726
Energy: 0.3838478811944815
Energy: 0.38412017227668055
Energy: 0.38452374931401945
Energy: 0.3907382447051718
Energy: 0.38394771008518447
Energy: 0.43013673792050844
Energy: 0.3863062369768441
Energy: 0.3860448864603201
Energy: 0.4309119446661549
Energy: 0.3884684541774289
Energy: 0.4302810287952645
Energy: 0.4302565447832377
Energy: 0.38764846824201615
Energy: 0.3874163153699989
Energy: 0.43005910525545
Energy: 0.38949993525797133
Energy: 0.4054409714155907
Energy: 0.5023891344504121
Energy: 0.4247341652773226
Energy: 0.4068682544079651
Energy: 0.4229559853274423
Energy: 0.43091312507779655
Energy: 0.4067290915038053
Energy: 0.4023621171704305
Energy: 0.4996827195899773
Energy: 0.4998465235926769
Energy: 0.39610606790010894
Energy: 0.5049652820019911
Energy: 0.4098587302079866
Energy: 0.4376360630625059
Energy: 0.48642625974043135
Energy: 0.460876160787593
Energy: 0.4313012968088751
Energy: 0.5090221560273177
Energy: 0.4073545444459212
Energy: 0.557614683562537
Energy: 0.4879996207847742
Energy: 0.4494830292804596
Energy: 0.49982185177509175
Energy: 0.43080932739366995
Energy: 0.407584880357667
Energy: 0.6058745566287554
Energy: 0.4210427781055986
Energy: 0.415095721078372
Energy: 0.4617604485541704
Energy: 0.42086188903053595
Energy: 0.49067764335075487
Energy: 0.5469423156695556
Energy: 0.48533362754493325
Energy: 0.4277461170424801
Energy: 0.5002774944804442
Energy: 0.4854359778443012
Energy: 0.40680042852764176
Energy: 0.40886040675250196
Energy: 0.49134363674523585
Energy: 0.5474044256267108
Energy: 0.452530418354718
Energy: 0.4919725142128514
Energy: 0.42211182520653756
Energy: 0.41050221453507857
Energy: 0.48666885739088067
Energy: 0.4874435311011361
Energy: 0.40931614070386846
Energy: 0.49063956637753303
Energy: 0.4451492211050387
Energy: 0.5938162547918878
Energy: 0.4292771255919196
Energy: 0.40674139484280675
Energy: 0.5009375942308099
Energy: 0.3890003191919924
Energy: 0.48732688992989587
Energy: 0.4996934166365503
Energy: 0.3922323779940379
Energy: 0.41609608096723394
Energy: 0.4998079809224256
Energy: 0.3928447667615325
Energy: 0.41647932114709185
Energy: 0.43692996532324996
Energy: 0.4087325214462897
Energy: 0.4056665688095168
Energy: 0.4324555568223791
Energy: 0.422788852079827
Energy: 0.42417625971259326
Energy: 0.3947592468752527
Energy: 0.4106425102796483
Energy: 0.41583535146352174
Energy: 0.3905217181143137
Energy: 0.4103297239904269
Energy: 0.3968660212354064
Energy: 0.39850361751394353
Energy: 0.43483929448874964
Energy: 0.43011807884457015
Energy: 0.3990471197992941
Energy: 0.43213828305965535
Energy: 0.42984416661413516
Energy: 0.4112334044290403
Energy: 0.38419912160629477
Energy: 0.38737620067239753
Energy: 0.386955914589707
Energy: 0.43046960430564984
Energy: 0.3874846176431797
Energy: 0.4011484565817206
Energy: 0.37943455395783215
Energy: 0.3844184841115598
Energy: 0.4013747719442178
Energy: 0.3801501579944129
Energy: 0.38362891788683795
Energy: 0.4050111204796472
Energy: 0.3814811114696903
Energy: 0.3813613587423623
Energy: 0.40568947091092133
Energy: 0.3810972748281116
Energy: 0.3808190789281081
Energy: 0.4094398290127147
Energy: 0.38137148270097754
Energy: 0.3811658466569435
Energy: 0.38290295212136616
Energy: 0.3810233737476868
Energy: 0.3812427626008644
Energy: 0.40765048022102074
Energy: 0.40568879973612076
Energy: 0.40172541562584624
Energy: 0.4079641036713426
Energy: 0.40263513841296783
Energy: 0.4016167749063252
Energy: 0.39748603624851436
Energy: 0.38732179745339845
Energy: 0.3846523940991201
Energy: 0.3844193018492571
Energy: 0.38917759488424586
Energy: 0.3851327316075222
Energy: 0.4348147554071191
Energy: 0.3847786661131043
Energy: 0.38452337288516214
Energy: 0.4355716191369064
Energy: 0.3853281353632945
Energy: 0.38504143543190383
Energy: 0.43600603164615453
Energy: 0.3859112581907774
Energy: 0.4059146925674571
Energy: 0.4363708987525257
Energy: 0.38592909308200746
Energy: 0.4256598896975941
Energy: 0.5616388840258009
Energy: 0.4052361251059852
Energy: 0.40528712921043525
Energy: 0.42511460320215627
Energy: 0.430983777637822
Energy: 0.40524646155415756
Energy: 0.4058184139101993
Energy: 0.5028125593302175
Energy: 0.4243576404167311
Energy: 0.414889952082826
Energy: 0.5013086258806057
Energy: 0.4246523165188865
Energy: 0.40199493029712113
Energy: 0.46743074079532665
Energy: 0.4175036199116114
Energy: 0.4077690934177464
Energy: 0.4764630020383746
Energy: 0.41729521464837244
Energy: 0.4301766124584178
Energy: 0.4885246215416682
Energy: 0.486022772021551
Energy: 0.43778742399580167
Energy: 0.501165470841427
Energy: 0.42751472358058373
Energy: 0.5623524929239874
Energy: 0.4092403070855828
Energy: 0.47712288171607115
Energy: 0.4917888287762339
Energy: 0.4111213135542225
Energy: 0.47573981852926756
Energy: 0.6002215084687623
Energy: 0.44744306831418795
Energy: 0.4054186539929822
Energy: 0.5011672114240637
Energy: 0.41575203361053353
Energy: 0.48723711396963443
Energy: 0.4114712775536875
Energy: 0.48670680850019643
Energy: 0.46333785162959373
Energy: 0.4040036518974284
Energy: 0.4899456162982013
Energy: 0.4438865880739223

minimum gb energy = 0.37943455395783215 eV
minimum distance =  2.75239205658707 Angstroms
sigma value = 57


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

Energy: 0.37515791476758886
Energy: 0.5968176937509326
Energy: 0.4268099132499328
Energy: 0.3760316574788745
Energy: 0.6573030890284006
Energy: 0.42656921794382685
Energy: 0.4831618349509545
Energy: 0.38795689211624035
Energy: 0.38635501797325655
Energy: 0.4881092467255807
Energy: 0.38799214902338147
Energy: 0.43109497423199766
Energy: 0.5693462263845114
Energy: 0.3702013272050175
Energy: 0.37020382797455176
Energy: 0.48892509442348686
Energy: 0.369990627490786
Energy: 0.40025034955348
Energy: 0.4853343336340602
Energy: 0.36993925482064693
Energy: 0.40006154429359575
Energy: 0.41032252058280716
Energy: 0.3722183542963291
Energy: 0.42435685608943186
Energy: 0.4138985746599251
Energy: 0.387873632023082
Energy: 0.3870608891016044
Energy: 0.41429877180628605
Energy: 0.40715801865316326
Energy: 0.3881211918505815
Energy: 0.3666158969423089
Energy: 0.3844603145252271
Energy: 0.36929918339353857
Energy: 0.35793841423729744
Energy: 0.418732144029386
Energy: 0.3695368698585516
Energy: 0.38461601881595064
Energy: 0.4232726003742034
Energy: 0.41856212463376563
Energy: 0.36284943205838327
Energy: 0.4218681346757718
Energy: 0.3637910345606738
Energy: 0.5065379876574633
Energy: 0.35434110101342803
Energy: 0.3546974845507505
Energy: 0.36703326658373947
Energy: 0.354153749741662
Energy: 0.36162246897152656
Energy: 0.3867849426557476
Energy: 0.37859713991523425
Energy: 0.36509985153139385
Energy: 0.3877329214526546
Energy: 0.38836828834061704
Energy: 0.38494859767375433
Energy: 0.3846084434942237
Energy: 0.3533546779559384
Energy: 0.3533820918269649
Energy: 0.3845397773133999
Energy: 0.35335848534147746
Energy: 0.3533274133228908
Energy: 0.3737696107464744
Energy: 0.37001101582447515
Energy: 0.3514520631331832
Energy: 0.3506300393047894
Energy: 0.3696688851940699
Energy: 0.35160923087876284
Energy: 0.38733531545343924
Energy: 0.3750448024733998
Energy: 0.36968444668817846
Energy: 0.36703135865014236
Energy: 0.37332305044680997
Energy: 0.35354400691467525
Energy: 0.3698226658285438
Energy: 0.37429376906616124
Energy: 0.35232063961470894
Energy: 0.35392424090717817
Energy: 0.3741527017945786
Energy: 0.35567327860121667
Energy: 0.3705919364368551
Energy: 0.35345745553647745
Energy: 0.3707430635071428
Energy: 0.3715982217475361
Energy: 0.37091079427532075
Energy: 0.3697761233691157
Energy: 0.369397316392284
Energy: 0.3586032934572087
Energy: 0.35874949183684196
Energy: 0.36966048226693726
Energy: 0.3539204616124254
Energy: 0.3577365949560775
Energy: 0.3939416413849294
Energy: 0.38472421945716256
Energy: 0.35526538497944576
Energy: 0.35436534249014023
Energy: 0.3910711391457009
Energy: 0.35513155504933963
Energy: 0.3710058106665926
Energy: 0.39200983182334076
Energy: 0.3855969229045053
Energy: 0.35298892709831514
Energy: 0.38960216524441543
Energy: 0.36135382058246407
Energy: 0.37190284926899403
Energy: 0.3684384916632278
Energy: 0.36825163283316187
Energy: 0.37262717702298787
Energy: 0.36843427746823754
Energy: 0.3613349182823979
Energy: 0.41911189792687725
Energy: 0.36373941711290525
Energy: 0.36331428897759144
Energy: 0.42023703018315317
Energy: 0.36713211353706615
Energy: 0.4189159715856706
Energy: 0.4191430423232814
Energy: 0.3712266552184319
Energy: 0.3715035852711526
Energy: 0.387076694283461
Energy: 0.3694989506060593
Energy: 0.38656920700631975
Energy: 0.5300312929353435
Energy: 0.40859757749278497
Energy: 0.3875172456901382
Energy: 0.4077200579325011
Energy: 0.40885382251471697
Energy: 0.3882490161612711
Energy: 0.37083502467462987
Energy: 0.49112146207702845
Energy: 0.40457959224676304
Energy: 0.36364756235367923
Energy: 0.49050719543343974
Energy: 0.3856467499476514
Energy: 0.3878405001049247
Energy: 0.4334416748463177
Energy: 0.4371136726390349
Energy: 0.37750798092894533
Energy: 0.4886881358692625
Energy: 0.42182300034544695
Energy: 0.527059362883797
Energy: 0.4107011502605793
Energy: 0.38368830054105035
Energy: 0.4084612363203326
Energy: 0.4154999816513358
Energy: 0.38781352162041366
Energy: 0.5714793216523602
Energy: 0.3870797374503542
Energy: 0.3882714575776536
Energy: 0.46772000976040784
Energy: 0.3872926718995107
Energy: 0.4463153981208861
Energy: 0.5620691902016198
Energy: 0.429473246926891
Energy: 0.4378007047696788
Energy: 0.48562761486596884
Energy: 0.42960980893218886
Energy: 0.40708743619383875
Energy: 0.3741842673197386
Energy: 0.4437342811751379
Energy: 0.4254397133347817
Energy: 0.37233333068904945
Energy: 0.4682977485160929
Energy: 0.4026120323466211

minimum gb energy = 0.3506300393047894 eV
minimum distance =  2.75887082396453 Angstroms
sigma value = 43


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

Energy: 0.3244021586104934
Energy: 0.450451664296214
Energy: 0.38444202290945084
Energy: 0.32376462856048027
Energy: 0.4074283472310908
Energy: 0.35934606152408327
Energy: 0.4531782023138644
Energy: 0.3333014164065227
Energy: 0.3304152689246851
Energy: 0.3635222025546531
Energy: 0.3329427117704145
Energy: 0.32912261004967325
Energy: 0.48941991795204187
Energy: 0.313629474241804
Energy: 0.3255858127553271
Energy: 0.3910050661501538
Energy: 0.31309246938377866
Energy: 0.3254972128438632
Energy: 0.4233208065617878
Energy: 0.3249561365608796
Energy: 0.32580958415043554
Energy: 0.3591693018337764
Energy: 0.31296484559208154
Energy: 0.34556049137062406
Energy: 0.3740563331800166
Energy: 0.33324462064584515
Energy: 0.33016159166629633
Energy: 0.3650695178429465
Energy: 0.35148805286111473
Energy: 0.3302221822050679
Energy: 0.3138592845298263
Energy: 0.32973599534912224
Energy: 0.3203748761194686
Energy: 0.3067624136442462
Energy: 0.3741514032989956
Energy: 0.3112076286056956
Energy: 0.42255272912797504
Energy: 0.3744534034014307
Energy: 0.3743103111840867
Energy: 0.3122903043653778
Energy: 0.3774153202682745
Energy: 0.31189617345207143
Energy: 0.4413687764297711
Energy: 0.30086687859339695
Energy: 0.3060679964560032
Energy: 0.31280214709653387
Energy: 0.3006534825609195
Energy: 0.30580450584930974
Energy: 0.3462180468808724
Energy: 0.3058751674374851
Energy: 0.31369896217498433
Energy: 0.3472027377793387
Energy: 0.3198986087675242
Energy: 0.3447302657929968
Energy: 0.3373144174773732
Energy: 0.302947895738505
Energy: 0.30286414639291853
Energy: 0.33794079103822466
Energy: 0.30310004883879255
Energy: 0.30226812610972253
Energy: 0.31080165051141156
Energy: 0.3266642273589508
Energy: 0.3004483462721927
Energy: 0.29928246803731046
Energy: 0.3268875516003857
Energy: 0.2976284815412915
Energy: 0.34782167990002055
Energy: 0.32690371839311055
Energy: 0.32669277679796116
Energy: 0.3001542764879569
Energy: 0.3317612123513696
Energy: 0.29999617331253126
Energy: 0.4218261927913514
Energy: 0.32212372690213703
Energy: 0.326221801731923
Energy: 0.3178426698324579
Energy: 0.3096191119980333
Energy: 0.32585357570814144
Energy: 0.31655667646195024
Energy: 0.30960968749979906
Energy: 0.3164264036652457
Energy: 0.31757617320397596
Energy: 0.31192947908880403
Energy: 0.31651064433650195
Energy: 0.3164738185796379
Energy: 0.295645577332119
Energy: 0.2953503868417993
Energy: 0.31643489210179787
Energy: 0.29602164181952323
Energy: 0.29515197869768545
Energy: 0.3134746929885521
Energy: 0.31171889287749155
Energy: 0.2949356534449306
Energy: 0.2939574308664516
Energy: 0.31152678592223365
Energy: 0.2937318749002436
Energy: 0.31845353452583025
Energy: 0.3115995726507921
Energy: 0.31216804215493593
Energy: 0.295455801873242
Energy: 0.31152888488301494
Energy: 0.2975002250234301
Energy: 0.31157162567485175
Energy: 0.2969307033187911
Energy: 0.29771862077178185
Energy: 0.311900961364133
Energy: 0.31821314184142424
Energy: 0.29729355551890835
Energy: 0.31185564518363385
Energy: 0.30801444606020484
Energy: 0.31166919720898334
Energy: 0.31236029149649996
Energy: 0.3669372602696154
Energy: 0.31179647319717996
Energy: 0.31160284976073194
Energy: 0.3002840605056561
Energy: 0.30049067740229346
Energy: 0.31173247398255993
Energy: 0.3191892561044042
Energy: 0.3005054209871427
Energy: 0.3287873745035694
Energy: 0.3164515923414808
Energy: 0.3169285365847901
Energy: 0.3007385873453118
Energy: 0.3164152992807534
Energy: 0.3005310967872992
Energy: 0.3126457983137212
Energy: 0.31651837122096854
Energy: 0.3125336669951482
Energy: 0.29551634408696353
Energy: 0.3164962017735782
Energy: 0.2952099353004875
Energy: 0.3270140959950065
Energy: 0.29769320800274673
Energy: 0.29745852556407143
Energy: 0.3268009318847104
Energy: 0.29697672797661945
Energy: 0.29747193224344
Energy: 0.32708084912466084
Energy: 0.3171983241043837
Energy: 0.3268996006039777
Energy: 0.3280926886757064
Energy: 0.3080564292762877
Energy: 0.3267867610680495
Energy: 0.42977036540996166
Energy: 0.31309519870656916
Energy: 0.31848196481697194
Energy: 0.3364046102299064
Energy: 0.312086482935147
Energy: 0.33572207863815373
Energy: 0.37660458809777764
Energy: 0.34463207281294295
Energy: 0.3445777719943399
Energy: 0.3016236007284741
Energy: 0.34468105696370016
Energy: 0.30141675123190076
Energy: 0.31243342175589345
Energy: 0.3446624128828148
Energy: 0.3114377640033493
Energy: 0.3005277185564592
Energy: 0.3446099561170733
Energy: 0.30340990004561186
Energy: 0.32727701360698713
Energy: 0.31293837093122134
Energy: 0.3127193748304953
Energy: 0.3271285356249796
Energy: 0.3323488414822334
Energy: 0.31194302557838255
Energy: 0.3761663234908598
Energy: 0.3150703996886671
Energy: 0.3337423702155841
Energy: 0.3770987809546341
Energy: 0.3156356457081315
Energy: 0.3514487011263356
Energy: 0.45909916692205816
Energy: 0.3073176142685702
Energy: 0.31552487035568694
Energy: 0.35775028506755097
Energy: 0.3069313152228072
Energy: 0.3152597777951329
Energy: 0.45708609712243464
Energy: 0.35747659481977856
Energy: 0.3574607253755288
Energy: 0.3580350771680653
Energy: 0.35762018503488147
Energy: 0.32956590337105707
Energy: 0.31860814319591946
Energy: 0.37337274666304276
Energy: 0.33597501861387846
Energy: 0.3128774830162129
Energy: 0.394495822891249
Energy: 0.3199480572492746
Energy: 0.38603737230063445
Energy: 0.35742065837828424
Energy: 0.35723220416824203
Energy: 0.3598026429371439
Energy: 0.3639506899126073
Energy: 0.3565484827477608
Energy: 0.4586373356933099
Energy: 0.3394720764018631
Energy: 0.33916309340116335
Energy: 0.35923111125330814
Energy: 0.3416357897942814
Energy: 0.36668242434506
Energy: 0.4891353714669327
Energy: 0.3248116527879281
Energy: 0.33945470959343754
Energy: 0.39121123459177576
Energy: 0.32425789761916196
Energy: 0.3641991990946733
Energy: 0.45318084344221826
Energy: 0.3569247282805719
Energy: 0.3572618486358749
Energy: 0.3880034539838991
Energy: 0.3587497697244723
Energy: 0.32934682906860097

minimum gb energy = 0.2937318749002436 eV
minimum distance =  2.77946786292611 Angstroms
sigma value = 81


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

Energy: 0.02254120423786026
Energy: 0.024203337625942796
Energy: 0.022791229975986198
Energy: 0.02381718456110721
Energy: 0.02550618778780935
Energy: 0.0229344569613363
Energy: 0.04457365061214708
Energy: 0.02345820864426135
Energy: 0.023621319889071173
Energy: 0.04487605260261435
Energy: 0.025982395863710657
Energy: 0.0236951588651269
Energy: 0.04381671337567059
Energy: 0.02293377789821173
Energy: 0.02286668901400779
Energy: 0.04386049922371735
Energy: 0.02293909368789034
Energy: 0.043815402831536204
Energy: 0.02505056338024336
Energy: 0.023024243387258555
Energy: 0.023144238309107626
Energy: 0.025207230281378522
Energy: 0.022968898740704676
Energy: 0.043938514689710315
Energy: 0.04377961031441026
Energy: 0.043924050235926056
Energy: 0.04404986285793451
Energy: 0.04422786583397675
Energy: 0.04372974651031411
Energy: 0.044548962915975404
Energy: 0.023261491014061993
Energy: 0.02372092624573597
Energy: 0.022798541888088296
Energy: 0.02410968540167628
Energy: 0.023750548041152973
Energy: 0.023022198496519812
Energy: 0.04515950556101102
Energy: 0.023472521176504852
Energy: 0.023600891370067552
Energy: 0.04393869019364768
Energy: 0.02349266540648664
Energy: 0.02371889306756709
Energy: 0.04383838143755339
Energy: 0.022872357524907815
Energy: 0.022956748862962922
Energy: 0.04404235988739099
Energy: 0.022870055143974135
Energy: 0.045688638155202965
Energy: 0.023924654323872564
Energy: 0.022805456560994117
Energy: 0.044906717075476936
Energy: 0.024868151682282624
Energy: 0.023099872712568952
Energy: 0.04480919367194384
Energy: 0.023101115231421505
Energy: 0.04387197700078663
Energy: 0.044060308073789946
Energy: 0.02312546479979236
Energy: 0.043955109748074414
Energy: 0.04387244496068477

minimum gb energy = 0.02254120423786026 eV
minimum distance =  2.90916317643775 Angstroms
sigma value = 3


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

Energy: 0.37522122871228997
Energy: 0.3724886299349384
Energy: 0.373641341710617
Energy: 0.35253383318748843
Energy: 0.37026793409539194
Energy: 0.3544611069997486
Energy: 0.38634485525126494
Energy: 0.37528989555164577
Energy: 0.37522078932114167
Energy: 0.37622766793369083
Energy: 0.3764096764426895
Energy: 0.37530005146759315
Energy: 0.3849610556833469
Energy: 0.3470144172862691
Energy: 0.34676822875526625
Energy: 0.37435625742646955
Energy: 0.3439128858251623
Energy: 0.3672235039392909
Energy: 0.36386764917186715
Energy: 0.34653748015003066
Energy: 0.3462893811418702
Energy: 0.36378232016432244
Energy: 0.3257579835023336
Energy: 0.3694730515679741
Energy: 0.3331067281959379
Energy: 0.37692535085952883
Energy: 0.3758875525570207
Energy: 0.3330124813209176
Energy: 0.37663799028782163
Energy: 0.3755901013039377
Energy: 0.35549802185445456
Energy: 0.37551560260358374
Energy: 0.3575909080204803
Energy: 0.3092215950781699
Energy: 0.375733950656657
Energy: 0.3254186521723242
Energy: 0.3761720228308192
Energy: 0.3405164283986036
Energy: 0.33992152223515393
Energy: 0.36445323996603035
Energy: 0.342587738836191
Energy: 0.373523948250567
Energy: 0.36392955523081316
Energy: 0.3143788796108079
Energy: 0.35378938800729076
Energy: 0.36393342483335395
Energy: 0.29759333195783744
Energy: 0.33364730160515615
Energy: 0.3722452157150296
Energy: 0.3327207729336997
Energy: 0.3608582816941289
Energy: 0.374768400523798
Energy: 0.3133449847056972
Energy: 0.36882979488851125
Energy: 0.3433638379287079
Energy: 0.33871089448247804
Energy: 0.33845501156977775
Energy: 0.3434965074733435
Energy: 0.3420707949743248
Energy: 0.3472241990276362
Energy: 0.35461969751417416
Energy: 0.339172165105617
Energy: 0.3387988510470014
Energy: 0.30303194550196116
Energy: 0.35915837296496145
Energy: 0.34333482736606
Energy: 0.3170840330179387
Energy: 0.362909178021711
Energy: 0.3637820170292162
Energy: 0.3169027528771476
Energy: 0.3473270528487362
Energy: 0.31681445771595107
Energy: 0.31804341712234285
Energy: 0.3181175839838387
Energy: 0.3472421626722794
Energy: 0.3180241482492612
Energy: 0.2933054075491434
Energy: 0.31902786289075424
Energy: 0.3533413375442786
Energy: 0.3333003874220587
Energy: 0.34736024928827575
Energy: 0.3196062804970236
Energy: 0.3024919493833185
Energy: 0.34944131514958604
Energy: 0.3496935298644575
Energy: 0.30229422262789846
Energy: 0.30201569962425395
Energy: 0.34981872715152285
Energy: 0.30608583502693854
Energy: 0.30234797442407163
Energy: 0.34951400130237825
Energy: 0.33831816203735887
Energy: 0.34106482356306705
Energy: 0.29557464672634
Energy: 0.3469950781316527
Energy: 0.34093175021596617
Energy: 0.29471324269430416
Energy: 0.34073371898853727
Energy: 0.3401086265826422
Energy: 0.2944376845929835
Energy: 0.3043968778913907
Energy: 0.2943001308807362
Energy: 0.29479955682737713
Energy: 0.33718488754313014
Energy: 0.33722775585951514
Energy: 0.2948692449274423
Energy: 0.2958411008009898
Energy: 0.33751847861548495
Energy: 0.34473530824543724
Energy: 0.31612853035579597
Energy: 0.33261949986095307
Energy: 0.2958336668399228
Energy: 0.2955916833134468
Energy: 0.33660911412060035
Energy: 0.3476638576917275
Energy: 0.29443329046686323
Energy: 0.2942175682564625
Energy: 0.34812951481544674
Energy: 0.2980975823173897
Energy: 0.29457620770951987
Energy: 0.34709881230789524
Energy: 0.3385466465890966
Energy: 0.341651485232027
Energy: 0.3582370659660116
Energy: 0.3396096480321295
Energy: 0.3406092438513631
Energy: 0.30405934149948544
Energy: 0.3389283494387843
Energy: 0.33968095770992296
Energy: 0.30308570088882353
Energy: 0.339184733065725
Energy: 0.302272696261042
Energy: 0.3021055075805222
Energy: 0.3188364358052574
Energy: 0.31896833164813676
Energy: 0.30212782690090473
Energy: 0.3199511677860949
Energy: 0.3185654922498866
Energy: 0.351974350285208
Energy: 0.31766518783258624
Energy: 0.31858475043702056
Energy: 0.29730524501913136
Energy: 0.3173115713818687
Energy: 0.340161162392543
Energy: 0.32643980460910493
Energy: 0.3169477762001422
Energy: 0.3167883905444162
Energy: 0.3269064340655325
Energy: 0.3215803027122476
Energy: 0.3171650220846002
Energy: 0.36181109028581393
Energy: 0.3246334769518124
Energy: 0.3498693324660715
Energy: 0.36177421497969636
Energy: 0.3040225682993296
Energy: 0.35892574795887305
Energy: 0.3415094386764406
Energy: 0.3251815146132211
Energy: 0.32368124544822957
Energy: 0.34051826769155924
Energy: 0.36354061693858386
Energy: 0.33835215327224694
Energy: 0.32402176333685856
Energy: 0.3345015805159739
Energy: 0.37294740332672693
Energy: 0.3240708714137888
Energy: 0.33556712762225593
Energy: 0.372769378650836
Energy: 0.35629185117760065
Energy: 0.36396463014011715
Energy: 0.3479143985657582
Energy: 0.30378467607571336
Energy: 0.3641973171285132
Energy: 0.320443933860137
Energy: 0.33924089096440946
Energy: 0.36517521216746024
Energy: 0.36298210459489266
Energy: 0.3390457708894297
Energy: 0.36462862870499524
Energy: 0.360356139668299
Energy: 0.36409640039644914
Energy: 0.3203937159666717
Energy: 0.3406917153873213
Energy: 0.36409804703686255
Energy: 0.29917195615707226
Energy: 0.34065647395119525
Energy: 0.386567348163962
Energy: 0.3364158301088377
Energy: 0.37335148093970716
Energy: 0.37574174219473605
Energy: 0.3198701012567022
Energy: 0.39778011457656126
Energy: 0.3404132549316809
Energy: 0.36392292761414946
Energy: 0.36468112971065414
Energy: 0.3404940816237247
Energy: 0.3687495026412063
Energy: 0.35780531331554494

minimum gb energy = 0.2933054075491434 eV
minimum distance =  2.70959667493648 Angstroms
sigma value = 67


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

Energy: 0.4621460901288111
Energy: 0.45667863342619175
Energy: 0.4531783158811595
Energy: 0.3867601708296167
Energy: 0.4554834634582407
Energy: 0.45461002380929805
Energy: 0.4717271235172319
Energy: 0.4559022407804767
Energy: 0.41718211634594754
Energy: 0.45484494349549703
Energy: 0.45443368032778075
Energy: 0.4198105410181972
Energy: 0.4689917708016258
Energy: 0.42232937373521634
Energy: 0.4432534905906636
Energy: 0.45258103958199214
Energy: 0.39772273282636644
Energy: 0.4431231313689477
Energy: 0.43572099618174237
Energy: 0.44680721167611637
Energy: 0.44458338717068874
Energy: 0.43633835393573156
Energy: 0.44490479580025466
Energy: 0.4450214806101772
Energy: 0.4297231822733744
Energy: 0.4529663914225177
Energy: 0.4174803863754879
Energy: 0.4297481775043193
Energy: 0.45391243154586275
Energy: 0.41905065930686697
Energy: 0.4325212942539997
Energy: 0.446770511092893
Energy: 0.4292199820246579
Energy: 0.3997136940819299
Energy: 0.44646127484117737
Energy: 0.44013710850781573
Energy: 0.4374605265445921
Energy: 0.39911986520877113
Energy: 0.40032609791397045
Energy: 0.43744993195796095
Energy: 0.40048222133478323
Energy: 0.4023622143453514
Energy: 0.43238616696314336
Energy: 0.38311396507971673
Energy: 0.43274213065026357
Energy: 0.43247847165542974
Energy: 0.38021074308110164
Energy: 0.4018595340146939
Energy: 0.43908163641004955
Energy: 0.3997524752261051
Energy: 0.4029476224783274
Energy: 0.44299022904120133
Energy: 0.39911124703361683
Energy: 0.445580180172753
Energy: 0.44173402251537824
Energy: 0.4024717874650763
Energy: 0.3993688969802862
Energy: 0.4410252935773855
Energy: 0.40055754495568796
Energy: 0.3998203053469527
Energy: 0.4380614582413073
Energy: 0.4034695977915519
Energy: 0.4013993657581562
Energy: 0.38044413624381984
Energy: 0.4288434704317381
Energy: 0.43329674265000884
Energy: 0.3841325431422539
Energy: 0.4026900019957972
Energy: 0.4316407468329853
Energy: 0.379299144257644
Energy: 0.4011719928639792
Energy: 0.3791281749385264
Energy: 0.37925628937864336
Energy: 0.3845529400884032
Energy: 0.42623912028165756
Energy: 0.37914421087272976
Energy: 0.38134093126763147
Energy: 0.3793813662165481
Energy: 0.4261824756017905
Energy: 0.40825399180474015
Energy: 0.4267111903199764
Energy: 0.380336800083767
Energy: 0.4063810279551398
Energy: 0.42580919151418367
Energy: 0.4274306910845824
Energy: 0.3825217409790453
Energy: 0.3797581962505786
Energy: 0.4278909118015412
Energy: 0.38104583050067015
Energy: 0.37958453987396407
Energy: 0.42842418364708446
Energy: 0.4347156239057795
Energy: 0.4327527334327313
Energy: 0.4093120808587798
Energy: 0.4113643691132741
Energy: 0.4307600244181935
Energy: 0.40310189720601985
Energy: 0.3787951178067741
Energy: 0.4251785134655948
Energy: 0.40370913452701673
Energy: 0.3754585281034705
Energy: 0.399348867498098
Energy: 0.39897504577648
Energy: 0.44436752707876365
Energy: 0.44569022841451555
Energy: 0.3989765859936496
Energy: 0.4018487481456095
Energy: 0.3999376810470442
Energy: 0.4266971898413226
Energy: 0.4393589232201944
Energy: 0.4132775379045497
Energy: 0.38598440062772316
Energy: 0.4390854885019249
Energy: 0.43574015802159244
Energy: 0.3981609168484969
Energy: 0.4390084299868072
Energy: 0.40314602678094785
Energy: 0.4015200382107806
Energy: 0.4348949222815101
Energy: 0.4034314951168184
Energy: 0.4316567126270303
Energy: 0.41747454979491716
Energy: 0.44652246010725793
Energy: 0.4320843491101957
Energy: 0.4082110048320373
Energy: 0.4462816081815686
Energy: 0.46853135609293495
Energy: 0.38398890117322837
Energy: 0.4466363506713689
Energy: 0.45486162478328185
Energy: 0.38413745572608277
Energy: 0.4464767755292476
Energy: 0.4465480713182081
Energy: 0.43739905710781196
Energy: 0.4411641472958554
Energy: 0.4483867966821009
Energy: 0.43593017928804406
Energy: 0.4028155738309083

minimum gb energy = 0.3754585281034705 eV
minimum distance =  2.69447625167256 Angstroms
sigma value = 33


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

Energy: 0.5313341560114051
Energy: 0.5294006770882596
Energy: 0.52699550930604
Energy: 0.45343254011516015
Energy: 0.5427530548112197
Energy: 0.49867334190074214
Energy: 0.5378277133942807
Energy: 0.4776110726939651
Energy: 0.44399697714368175
Energy: 0.47506098750807263
Energy: 0.5251992121804014
Energy: 0.4443735984666581
Energy: 0.5301621681419124
Energy: 0.4430751582183874
Energy: 0.4902384411089912
Energy: 0.5073562956824628
Energy: 0.4785212902537388
Energy: 0.472284289641286
Energy: 0.4768785366599979
Energy: 0.4899822168998545
Energy: 0.4911567738874611
Energy: 0.477380489871972
Energy: 0.4386202475554228
Energy: 0.47171728336637553
Energy: 0.4774310699671958
Energy: 0.4799521770349283
Energy: 0.4401794037366737
Energy: 0.47725224824371215
Energy: 0.4795863723529701
Energy: 0.4437822520899039
Energy: 0.4957599346222923
Energy: 0.43986219229747187
Energy: 0.439974289496258
Energy: 0.4412825493147233
Energy: 0.4393371355218326
Energy: 0.4861928202295031
Energy: 0.476759908656577
Energy: 0.44035336828665433
Energy: 0.44019473427560823
Energy: 0.4771772385267874
Energy: 0.4401520060976056
Energy: 0.44417202622708213
Energy: 0.4774708508093972
Energy: 0.43833169944136147
Energy: 0.44067864985745725
Energy: 0.47736858559257167
Energy: 0.44174664823293575
Energy: 0.44445719753273666
Energy: 0.46288621742752595
Energy: 0.47269771642491454
Energy: 0.44797576795768973
Energy: 0.4445112196583182
Energy: 0.4398093153370709
Energy: 0.447053074730485
Energy: 0.4860601800507375
Energy: 0.44231354780958615
Energy: 0.43981490395415385
Energy: 0.48696861202451763
Energy: 0.44033091178514017
Energy: 0.4394948130724009
Energy: 0.461988356107892
Energy: 0.43980095493082866
Energy: 0.43959956447416315
Energy: 0.44073730244983583
Energy: 0.46345337641475637
Energy: 0.48433765466972595
Energy: 0.4388980382446614
Energy: 0.43986242656309693
Energy: 0.44043340162279976
Energy: 0.4389314896510333
Energy: 0.4517709891288249
Energy: 0.43948015313567607
Energy: 0.4392130900908571
Energy: 0.44443247355860105
Energy: 0.46117634167886257
Energy: 0.4393925908503566
Energy: 0.44442287627014476
Energy: 0.43922582667583704
Energy: 0.42777789503856434
Energy: 0.4433035517526393
Energy: 0.44300885420806324
Energy: 0.4301978186677645
Energy: 0.4649511610896653
Energy: 0.4291012933520719
Energy: 0.4293849209187254
Energy: 0.48046317043757536
Energy: 0.4456507316443222
Energy: 0.42937976257577576
Energy: 0.4781145017892572
Energy: 0.4443619761386901
Energy: 0.4696622507568102
Energy: 0.48039315332565713
Energy: 0.4288809990181382
Energy: 0.4440815200534971
Energy: 0.4479195023059625
Energy: 0.4439276809074003
Energy: 0.5555837867755721
Energy: 0.44760056291132666
Energy: 0.4483509983973016
Energy: 0.507468909393929
Energy: 0.4508102118601982
Energy: 0.43080915407895665
Energy: 0.5404601755016868
Energy: 0.47992911869501953
Energy: 0.4452220291627967
Energy: 0.47583125851462155
Energy: 0.47898248517749736
Energy: 0.4424898122603082
Energy: 0.49685855137989915
Energy: 0.5074642728455191
Energy: 0.5057914605155798
Energy: 0.44616169439849923
Energy: 0.5074076231894074
Energy: 0.48697883151879146
Energy: 0.4994219337202807
Energy: 0.4792674546456303
Energy: 0.47811986197656475
Energy: 0.5001748321246857
Energy: 0.47952055491530426
Energy: 0.44466672223857345
Energy: 0.5315700252031771
Energy: 0.4593196619617242
Energy: 0.49086147758703785
Energy: 0.507552421634571
Energy: 0.4388537018627982
Energy: 0.4720818743057928
Energy: 0.4789511810155359
Energy: 0.4427866789888616
Energy: 0.48966803158232414
Energy: 0.47712518531638753
Energy: 0.44279989452575785
Energy: 0.47278649823122254
Energy: 0.4774911441749732
Energy: 0.47776367040052475
Energy: 0.4436875907851304
Energy: 0.477402399616502
Energy: 0.5250476483968325
Energy: 0.4438507253564143
Energy: 0.4755595003217004
Energy: 0.4395948335996216
Energy: 0.44006824214368906
Energy: 0.43875992278887105
Energy: 0.4393671552769361
Energy: 0.4682213087557876
Energy: 0.4765782286079574
Energy: 0.440466739831214
Energy: 0.4402852262355427
Energy: 0.47688163634096176
Energy: 0.4404372510582942
Energy: 0.4440001068066219
Energy: 0.477771898983453
Energy: 0.4383739605599973
Energy: 0.44114122487266494
Energy: 0.4778975401302221
Energy: 0.44140262138726494
Energy: 0.4448672473500817
Energy: 0.46326945583669005
Energy: 0.43946326922923495
Energy: 0.44323094741433106
Energy: 0.4625757706147971
Energy: 0.4493155395550717
Energy: 0.4470599853133655
Energy: 0.48589691455561107
Energy: 0.4395270036589734
Energy: 0.4396811697847494
Energy: 0.4625856352138958
Energy: 0.4406588027840145
Energy: 0.4394321494372777
Energy: 0.46224399693847196
Energy: 0.46406275873905845
Energy: 0.44092715125801973
Energy: 0.4416418827692864
Energy: 0.43926991032684687
Energy: 0.481807475310589
Energy: 0.43890949138802154
Energy: 0.43931750407819053
Energy: 0.4406331387215759
Energy: 0.43897715433474677
Energy: 0.4493521761255223
Energy: 0.43908538346798226
Energy: 0.4415736083744609
Energy: 0.44460300266467395
Energy: 0.4396011616242731
Energy: 0.43925013198614343
Energy: 0.44435126222475946
Energy: 0.4393163793614828
Energy: 0.4287803287528004
Energy: 0.44380274643832784
Energy: 0.4430599643104872
Energy: 0.42991788908621426
Energy: 0.46337839706757283
Energy: 0.42838042409503835
Energy: 0.42811435034391954
Energy: 0.477295476524998
Energy: 0.44464453750200306
Energy: 0.43066193775733175
Energy: 0.4786704436344429
Energy: 0.444928304331977
Energy: 0.44428779875048313
Energy: 0.4851807793826976
Energy: 0.4456009239424087
Energy: 0.44450458335051724
Energy: 0.4480664136159873
Energy: 0.44359886253666625
Energy: 0.5557918684916735
Energy: 0.44753893722928106
Energy: 0.448392438386653
Energy: 0.5558375900770217
Energy: 0.43071278988099404
Energy: 0.4303600990315017
Energy: 0.5322997830461818
Energy: 0.4777495915898816
Energy: 0.44421918155455603
Energy: 0.5254993636002544
Energy: 0.48017889404239933
Energy: 0.44524442515073964
Energy: 0.4969895658955695
Energy: 0.5075283446033283
Energy: 0.5057050887218407
Energy: 0.44983859184147773
Energy: 0.5074441017578558
Energy: 0.4871923691747112

minimum gb energy = 0.42777789503856434 eV
minimum distance =  2.70523014939208 Angstroms
sigma value = 41


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

Energy: 0.6055289767381823
Energy: 0.5444042460673938
Energy: 0.5841786803929436
Energy: 0.5132147409700387
Energy: 0.5447779326991167
Energy: 0.5843874969184674
Energy: 0.6202816958311171
Energy: 0.541155001442373
Energy: 0.539143928260521
Energy: 0.5387376346812328
Energy: 0.5405211058304332
Energy: 0.5231852372127282
Energy: 0.5988868627126925
Energy: 0.5127936611016888
Energy: 0.5109567705078646
Energy: 0.5383871679765291
Energy: 0.5317185111020885
Energy: 0.531023624730034
Energy: 0.5415175099776671
Energy: 0.5127297100692547
Energy: 0.5112532667074904
Energy: 0.5379262701549814
Energy: 0.513629364321872
Energy: 0.5307159233228199
Energy: 0.5303465136951839
Energy: 0.5389824069543844
Energy: 0.5237191291045447
Energy: 0.530506231693746
Energy: 0.5414792553945998
Energy: 0.5122969567998987
Energy: 0.539350561387202
Energy: 0.5422289453847001
Energy: 0.5121970309001691
Energy: 0.5143288515260772
Energy: 0.5619441561597128
Energy: 0.5117529253191254
Energy: 0.5303875882860114
Energy: 0.5134812694060427
Energy: 0.5226611268316307
Energy: 0.5304186704068328
Energy: 0.5127950444714502
Energy: 0.5136932192662286
Energy: 0.5330118697591988
Energy: 0.5124996819502184
Energy: 0.5124010330383476
Energy: 0.5337193226279562
Energy: 0.5152914503007407
Energy: 0.5303121924087818
Energy: 0.5592695952787617
Energy: 0.5130068868431662
Energy: 0.5120648393824486
Energy: 0.5598108563762252
Energy: 0.5230300695467304
Energy: 0.5118523935632122
Energy: 0.5410574891452202
Energy: 0.5336963950493623
Energy: 0.5300122479313417
Energy: 0.5329480907551145
Energy: 0.5310094884939491
Energy: 0.5116870655034216
Energy: 0.5340983600001934
Energy: 0.5420026139601116
Energy: 0.5142206429303547
Energy: 0.5132209183368938
Energy: 0.5024229733591515
Energy: 0.5137111463691368
Energy: 0.6026990173041983
Energy: 0.5024681352436549
Energy: 0.5029559231537066
Energy: 0.6029460653090077
Energy: 0.502004805042276
Energy: 0.541365605421462
Energy: 0.6168012396486011
Energy: 0.5304593413817895
Energy: 0.5246453886935766
Energy: 0.5394232324655971
Energy: 0.5324803783660025
Energy: 0.5227493198547732
Energy: 0.5023651744258769
Energy: 0.5383378003391251
Energy: 0.5060049701959417
Energy: 0.5051200070069488
Energy: 0.5381087458241345
Energy: 0.5024775933762502

minimum gb energy = 0.502004805042276 eV
minimum distance =  2.70898873841418 Angstroms
sigma value = 11


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

Energy: 0.9010985295794268
Energy: 0.6275870578730424
Energy: 0.5953394027234524
Energy: 0.6098375788565692
Energy: 0.6340703715702544
Energy: 0.5935721407137271
Energy: 0.7030766560435291
Energy: 0.5907947309068841
Energy: 0.5908692727785869
Energy: 0.5988720305280428
Energy: 0.5905038868393904
Energy: 0.5918210858933858
Energy: 0.6304275164686819
Energy: 0.5963485978134855
Energy: 0.5956852346487478
Energy: 0.6390512382244337
Energy: 0.5851559743970192
Energy: 0.5946887361004852
Energy: 0.6210361628700518
Energy: 0.5845485416761921
Energy: 0.5961078823970746
Energy: 0.5928404715983525
Energy: 0.5859117411326928
Energy: 0.5933480074483501
Energy: 0.6012092574217636
Energy: 0.5904009986602672
Energy: 0.5905791134244777
Energy: 0.5907684738313523
Energy: 0.5904885346815025
Energy: 0.5909611441825091
Energy: 0.6241272511256641
Energy: 0.5983762448575908
Energy: 0.5861930518571553
Energy: 0.5919370663811698
Energy: 0.600040484009337
Energy: 0.5950199684804666
Energy: 0.5997028509138153
Energy: 0.5952819564767639
Energy: 0.5954433951143066
Energy: 0.5997245855892214
Energy: 0.6009649663959403
Energy: 0.5905244600090429
Energy: 0.6000111225252609
Energy: 0.5945119632447299
Energy: 0.6094665347171817
Energy: 0.5903598954591128
Energy: 0.5926510155918294
Energy: 0.590975143292086
Energy: 0.601212634642676
Energy: 0.5943420294242503
Energy: 0.5970696091935057
Energy: 0.5832310793611483
Energy: 0.5952175661436848
Energy: 0.5919709957734847
Energy: 0.591305911904281
Energy: 0.5944696275554426
Energy: 0.5968946801742524
Energy: 0.5837551459029262
Energy: 0.5941166760306423
Energy: 0.5848680551364657
Energy: 0.6001601001290738
Energy: 0.5944290758144247
Energy: 0.5910244338341232
Energy: 0.5904769174676473
Energy: 0.5973725536238901
Energy: 0.590714759384206
Energy: 0.5905377519482665
Energy: 0.5951195478726149
Energy: 0.594310313489108
Energy: 0.5907610556726942
Energy: 0.5976613128381443
Energy: 0.5973584511888413
Energy: 0.5911627017059388
Energy: 0.5983564223258654
Energy: 0.5917093009456511
Energy: 0.5911643358556121
Energy: 0.5933995227786281
Energy: 0.5878256344641614
Energy: 0.6029267780068546
Energy: 0.640044227159869
Energy: 0.5980215667926684
Energy: 0.5986970165715862
Energy: 0.5917687856092548
Energy: 0.5947255953904935
Energy: 0.5856597462041765
Energy: 0.5918301379047969
Energy: 0.6121738366393205
Energy: 0.587639709345252
Energy: 0.593573549194829
Energy: 0.5854162660420963
Energy: 0.5860629040658144
Energy: 0.5918265798183976
Energy: 0.5876759042242401
Energy: 0.5868466221934366
Energy: 0.5934476589194372
Energy: 0.5847906007859314
Energy: 0.5848829540374576
Energy: 0.5872614276362521
Energy: 0.601631090081953
Energy: 0.5849574504542661
Energy: 0.5914805870564165
Energy: 0.5921958754557257
Energy: 0.6137607591534796
Energy: 0.6202325646662781
Energy: 0.624525036872987
Energy: 0.5910257685283044
Energy: 0.6359215952202855
Energy: 0.5955044489131188
Energy: 0.6014709372617802
Energy: 0.5922613394244582
Energy: 0.5924132972847169
Energy: 0.6012686357134263
Energy: 0.5928404475389325
Energy: 0.6133235566389951
Energy: 0.602324786841649
Energy: 0.5828121492683972
Energy: 0.591361687372411
Energy: 0.5920495695030314
Energy: 0.5864357099361244
Energy: 0.5936815914728063
Energy: 0.6432015162114407
Energy: 0.5854051821071293
Energy: 0.5930431366787947
Energy: 0.5926007050086212
Energy: 0.5861993132494128
Energy: 0.5918762663400027
Energy: 0.6162213720132264
Energy: 0.5922487156628508
Energy: 0.5916665859971935
Energy: 0.6035950638848173
Energy: 0.5938422509503856
Energy: 0.5948343719259492
Energy: 0.6026381289799604
Energy: 0.5919184160295486
Energy: 0.5964909333902685
Energy: 0.5851851112681244
Energy: 0.5921901122609896
Energy: 0.5957995071454774
Energy: 0.6411417132078463
Energy: 0.6015254156257424
Energy: 0.5901676004019855
Energy: 0.5925144922986403
Energy: 0.6015659505980521
Energy: 0.5925851002528794
Energy: 0.6346917594012336
Energy: 0.5909341052071427
Energy: 0.5954866840610966
Energy: 0.6355702991227441
Energy: 0.5892600433952138
Energy: 0.612826263564685
Energy: 0.6349003038472378
Energy: 0.58516974232304
Energy: 0.5863202130512514
Energy: 0.5928789623117047
Energy: 0.5858805257746923
Energy: 0.6133569851917611
Energy: 0.6293849453247324
Energy: 0.5850076774631991
Energy: 0.5849895720382048
Energy: 0.5932025346706274
Energy: 0.5869588730897574
Energy: 0.5847237630504134
Energy: 0.621922042463923
Energy: 0.5903821551562652
Energy: 0.5855014640625886
Energy: 0.5925478280483358
Energy: 0.5879163421357623
Energy: 0.6125834200257493
Energy: 0.6340780445819539
Energy: 0.5948516655466308
Energy: 0.5931475399445315
Energy: 0.5918724723531447
Energy: 0.5898032503151276
Energy: 0.5979317000072961
Energy: 0.702762414825631
Energy: 0.5912196067634051
Energy: 0.5882832658369935
Energy: 0.5927120721526477
Energy: 0.5912305832477293
Energy: 0.6034839024999881
Energy: 0.6140017849807277
Energy: 0.591966825827798
Energy: 0.5885195230066868
Energy: 0.5862959308646242
Energy: 0.5914178370035967
Energy: 0.5946536279380659

minimum gb energy = 0.5828121492683972 eV
minimum distance =  2.70782485300392 Angstroms
sigma value = 57


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

Energy: 0.8204203854507701
Energy: 0.6118952210492724
Energy: 0.6633326711078263
Energy: 0.6626309365742017
Energy: 0.8866668033735501
Energy: 0.6635316621753942
Energy: 0.6281591661265263
Energy: 0.597091567660064
Energy: 0.5961585758210131
Energy: 0.5987107533948453
Energy: 0.5976009314573789
Energy: 0.5959396673705115
Energy: 0.6299218393228377
Energy: 0.5944140965264024
Energy: 0.5963215817193221
Energy: 0.6306463082189665
Energy: 0.5960346535632601
Energy: 0.5971254949507212
Energy: 0.6205560302743159
Energy: 0.5975915330947649
Energy: 0.5955322037884733
Energy: 0.5961859684285437
Energy: 0.6038768631473925
Energy: 0.5958689775997102
Energy: 0.6125690822221009
Energy: 0.5976506174885643
Energy: 0.5966287126725984
Energy: 0.5973042894122963
Energy: 0.5981469787739792
Energy: 0.5954961103491374
Energy: 0.6052562595552117
Energy: 0.6292773311800646
Energy: 0.6493316747498533
Energy: 0.5977794330051098
Energy: 0.6300345313950256
Energy: 0.5969843890841141
Energy: 0.6297831098995808
Energy: 0.6242187378252159
Energy: 0.5844316443367682
Energy: 0.6304423116141812
Energy: 0.6226793394518326
Energy: 0.6207211246507587
Energy: 0.6283198954109123
Energy: 0.5983889621224887
Energy: 0.5962184962695811
Energy: 0.5979421891236183
Energy: 0.6078388254903133
Energy: 0.595630530005085
Energy: 0.6176715629328664
Energy: 0.5986872256057079
Energy: 0.5840908213370805
Energy: 0.5832686786449125
Energy: 0.6212604733617174
Energy: 0.5846539899480602
Energy: 0.6149484518927342
Energy: 0.5974486089023412
Energy: 0.5838889198176075
Energy: 0.585665788100009
Energy: 0.6283319051588081
Energy: 0.5842809459156286
Energy: 0.6280117568426975
Energy: 0.5982944577544317
Energy: 0.5966623083626476
Energy: 0.5979789999650889
Energy: 0.5958843745574065
Energy: 0.5956560553006944
Energy: 0.6226501446678178
Energy: 0.6034548470574266
Energy: 0.6031976097395593
Energy: 0.6231905775271552
Energy: 0.5965838659453048
Energy: 0.5976131005153759
Energy: 0.613621380881827
Energy: 0.5976408531587278
Energy: 0.5963267691058434
Energy: 0.5988032047087619
Energy: 0.5977047369663457
Energy: 0.5956169977877678
Energy: 0.6061756710123033
Energy: 0.6303332490620902
Energy: 0.6217960106777057
Energy: 0.5971340636581349
Energy: 0.6295821560593055
Energy: 0.6083239273040943
Energy: 0.6302936280933864
Energy: 0.5834200733874483
Energy: 0.5959301851160363
Energy: 0.6198394025522588
Energy: 0.583572479602184
Energy: 0.5957903226037884
Energy: 0.6286330195994908
Energy: 0.5836304010124381
Energy: 0.5831700470037434
Energy: 0.62922040273434
Energy: 0.5833933228671967
Energy: 0.5970823150470883
Energy: 0.5832175258816958
Energy: 0.5973764759454065
Energy: 0.5963697738489013
Energy: 0.5833147762646764
Energy: 0.5987464239309414
Energy: 0.5960155444469326

minimum gb energy = 0.5831700470037434 eV
minimum distance =  2.70172859229655 Angstroms
sigma value = 9


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

Energy: 1.0060652374429895
Energy: 0.6437260077001767
Energy: 0.6394876780745982
Energy: 0.6523174826529322
Energy: 0.6571134452976415
Energy: 0.6417959315474154
Energy: 0.6617950493955744
Energy: 0.643438676146447
Energy: 0.6435922767767318
Energy: 0.6257545137403074
Energy: 0.6365396628259695
Energy: 0.6289065337149594
Energy: 0.6615881636928492
Energy: 0.6262154432458074
Energy: 0.6072738827589682
Energy: 0.6618299327220519
Energy: 0.6253509651325461
Energy: 0.6281540559689074
Energy: 0.6199832869441868
Energy: 0.6259445485702456
Energy: 0.6439416778022016
Energy: 0.6250185522885803
Energy: 0.6251882308699828
Energy: 0.6270565213244431
Energy: 0.6637427762247996
Energy: 0.609560461362691
Energy: 0.6036555777902537
Energy: 0.6039500396047369
Energy: 0.6211977482307297
Energy: 0.6036166893946657
Energy: 0.6356832761063289
Energy: 0.632826649816503
Energy: 0.63152026571786
Energy: 0.6373839631026597
Energy: 0.6341745355933239
Energy: 0.631310567007135
Energy: 0.6183579682162998
Energy: 0.589276879463222
Energy: 0.6223313470425762
Energy: 0.6183525364270839
Energy: 0.6336716871272897
Energy: 0.6234389174073429
Energy: 0.6478357194521117
Energy: 0.6296742150633875
Energy: 0.6333649311265195
Energy: 0.618656830365206
Energy: 0.6304277826430226
Energy: 0.6362586553139613
Energy: 0.6600093807697733
Energy: 0.6059645718331749
Energy: 0.6095086054507279
Energy: 0.6251599941635902
Energy: 0.6215955352178419
Energy: 0.6267392062544227
Energy: 0.6583403997868701
Energy: 0.6210465340200158
Energy: 0.6035683699907762
Energy: 0.6400181750918751
Energy: 0.6187697678141658
Energy: 0.6036547047981333
Energy: 0.648004176039301
Energy: 0.6210557377017789
Energy: 0.6200529868668969
Energy: 0.619685760589771
Energy: 0.6195251049032924
Energy: 0.6037426212431827
Energy: 0.6475551335388753
Energy: 0.6264906241424922
Energy: 0.6293788290965534
Energy: 0.6365439408418679
Energy: 0.626301631267487
Energy: 0.6309833198143926
Energy: 0.6651899720097516
Energy: 0.6256938305023056
Energy: 0.6276433280917656
Energy: 0.6306382107195114
Energy: 0.6214369933051688
Energy: 0.6306517415811339
Energy: 0.6526553071357774
Energy: 0.6255870787380259
Energy: 0.626191602794151
Energy: 0.6172750290557367
Energy: 0.6204460861981687
Energy: 0.6268926002666763
Energy: 0.6449910154759706
Energy: 0.6191301046894098
Energy: 0.6028800429489146
Energy: 0.6337917679095969
Energy: 0.6197520119678802
Energy: 0.6060235245459747
Energy: 0.6340108392970591
Energy: 0.62566525724604
Energy: 0.6023460117122935
Energy: 0.6345430998924685
Energy: 0.6250359936511543
Energy: 0.602843433163061
Energy: 0.638929117354594
Energy: 0.6257688000768825
Energy: 0.641867177310572
Energy: 0.6273506890631843
Energy: 0.6253251926587371
Energy: 0.6268736767487914
Energy: 0.716647730507533
Energy: 0.6225606121136096
Energy: 0.6078116152281007
Energy: 0.6073813814433244
Energy: 0.6619896121315085
Energy: 0.6071314581898339
Energy: 0.6341527258265294
Energy: 0.6264389933950654
Energy: 0.6268842296462022
Energy: 0.6347987488420911
Energy: 0.618091808239061
Energy: 0.6281047894181799
Energy: 0.6612750880911514
Energy: 0.6261978400044355
Energy: 0.6268865120370922
Energy: 0.6492978828713927
Energy: 0.6262757989157026
Energy: 0.6276151925702756
Energy: 0.6402759570220763
Energy: 0.6371753366440841
Energy: 0.6428743725143945
Energy: 0.6298305023843939
Energy: 0.6354735402092887
Energy: 0.6334437776683861

minimum gb energy = 0.589276879463222 eV
minimum distance =  2.66612332372271 Angstroms
sigma value = 27


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

Energy: 0.6078634706560024
Energy: 0.8988986136583917
Energy: 0.5897028238643502
Energy: 0.6078318330640414
Energy: 0.8960850952779046
Energy: 0.590536276959908
Energy: 0.5855420812971684
Energy: 0.579933538018069
Energy: 0.5801992906385176
Energy: 0.5922940071190449
Energy: 0.5794882591822214
Energy: 0.5854451031639774
Energy: 0.5852677052093999
Energy: 0.5799664057294964
Energy: 0.5797513912638727
Energy: 0.5858693228832706
Energy: 0.6070377433297004
Energy: 0.5803147683849431
Energy: 0.5792916619997037
Energy: 0.5915609986464376
Energy: 0.579393770327232
Energy: 0.5799585011553712
Energy: 0.5912036499620261
Energy: 0.5793208566018059
Energy: 0.631251467469228
Energy: 0.5814629654783873
Energy: 0.5875820746754221
Energy: 0.5802666175725167
Energy: 0.5933088022163355
Energy: 0.5950684264930692
Energy: 0.5996552869952475
Energy: 0.5872535045665079
Energy: 0.585670642523787
Energy: 0.5925450077032411
Energy: 0.591315583431048
Energy: 0.585093210463321
Energy: 0.5781028080267735
Energy: 0.5921160417314358
Energy: 0.5915141805776355
Energy: 0.5783543231088996
Energy: 0.5897950682980623
Energy: 0.5908051832325313
Energy: 0.5860745337998972
Energy: 0.5958381908869446
Energy: 0.5793432014532665
Energy: 0.5797299548900553
Energy: 0.5737026878434536
Energy: 0.5796437227459283
Energy: 0.6070050793864897
Energy: 0.5825207359629203
Energy: 0.5799858949571678
Energy: 0.5761779301486233
Energy: 0.5801778531567985
Energy: 0.5789462797112999
Energy: 0.6987461300307339
Energy: 0.5820089548573751
Energy: 0.579612756486352
Energy: 0.5756300356119117
Energy: 0.5794828201772881
Energy: 0.5788268929678871
Energy: 0.5864259997076952
Energy: 0.5756807752351034
Energy: 0.5864394865568112
Energy: 0.5802618345906272
Energy: 0.5815014116257258
Energy: 0.5791730421992125
Energy: 0.5858215114760539
Energy: 0.5907605372305077
Energy: 0.587135073360417
Energy: 0.5793617631562639
Energy: 0.5915866498157136
Energy: 0.585742423871668
Energy: 0.6084373102645798
Energy: 0.5814718162897993
Energy: 0.5735277250969406
Energy: 0.5900113039494004
Energy: 0.581246457580686
Energy: 0.5738366340924252
Energy: 0.609903209438785
Energy: 0.5826844841158204
Energy: 0.5789826016832013
Energy: 0.6014047611279039
Energy: 0.5801390522614989
Energy: 0.574839583020453
Energy: 0.5871798415103066
Energy: 0.5759023366437056
Energy: 0.5791376264111048
Energy: 0.5797618124190945
Energy: 0.5756421860905907
Energy: 0.5787932446626458
Energy: 0.5785329330755075
Energy: 0.579082379262004
Energy: 0.579801040823379
Energy: 0.5790887103846953
Energy: 0.5760402142762848
Energy: 0.5791767518132401
Energy: 0.5920324974978474
Energy: 0.5799097225304525
Energy: 0.5796564316278804
Energy: 0.5855294320806027
Energy: 0.5800964538332157
Energy: 0.5796180160439902
Energy: 0.6001726768398944
Energy: 0.581142096447058
Energy: 0.5832410653419229
Energy: 0.5919835032834966
Energy: 0.580339491817206
Energy: 0.5885784916401021
Energy: 0.5781613820573922
Energy: 0.5910178028148014
Energy: 0.5745321628407646
Energy: 0.578914256841364
Energy: 0.5902410844509257
Energy: 0.5739990875458879
Energy: 0.5869250261090007
Energy: 0.5911148944260097
Energy: 0.5746022769581381
Energy: 0.5873651428270623
Energy: 0.5902139835043374
Energy: 0.5739870536300132
Energy: 0.5867288360825357
Energy: 0.5801435071165959
Energy: 0.5804118440715912
Energy: 0.5916994653497353
Energy: 0.580708452432059
Energy: 0.5794487918373531
Energy: 0.596418900536017
Energy: 0.5797456170076491
Energy: 0.5798802456817344
Energy: 0.5969406880617173
Energy: 0.581045375824273
Energy: 0.5799553808774621
Energy: 0.5860078395134082
Energy: 0.5870393369851161
Energy: 0.5853084141794583
Energy: 0.5792872495279909
Energy: 0.5915321703983961
Energy: 0.5855673400533014
Energy: 0.5875828040391741
Energy: 0.5752761167649867
Energy: 0.5867796086914043
Energy: 0.5795365865185346
Energy: 0.5757769907836893
Energy: 0.5871371066174718
Energy: 0.6089348226446373
Energy: 0.5833175538518818
Energy: 0.5790026904946114
Energy: 0.6022224176617753
Energy: 0.5800921236444126
Energy: 0.5749223199497637

minimum gb energy = 0.5735277250969406 eV
minimum distance =  2.73440532146204 Angstroms
sigma value = 19


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

Energy: 0.9877632112925494
Energy: 0.6310732942656798
Energy: 0.588739981398045
Energy: 0.6149549561905236
Energy: 0.6321074086942398
Energy: 0.5978394139575376
Energy: 0.6202028763025778
Energy: 0.59763046935592
Energy: 0.5978541052695017
Energy: 0.6065188650905311
Energy: 0.5973925501068792
Energy: 0.5970454638657544
Energy: 0.6204094839894697
Energy: 0.6023246458679994
Energy: 0.5952739629714069
Energy: 0.6028365188363874
Energy: 0.6054068633334152
Energy: 0.5945363287704829
Energy: 0.6145712072015089
Energy: 0.6351435673402789
Energy: 0.5970608643415461
Energy: 0.5967485326846971
Energy: 0.597311915400788
Energy: 0.5976142483619923
Energy: 0.6272750925897802
Energy: 0.6039033565110544
Energy: 0.5960501124165678
Energy: 0.6070807255173083
Energy: 0.6029781434226573
Energy: 0.5958631205007038
Energy: 0.6152307421066716
Energy: 0.598195879740704
Energy: 0.5971823224736804
Energy: 0.5979215466757503
Energy: 0.5980598899679145
Energy: 0.5977708731291362
Energy: 0.6266546398429691
Energy: 0.6091202784047475
Energy: 0.6064904786022844
Energy: 0.6009784800079327
Energy: 0.6126460062996023
Energy: 0.6044872407263537
Energy: 0.6149829544307726
Energy: 0.6056645175128011
Energy: 0.5971607969924567
Energy: 0.5970017433273762
Energy: 0.6042810312785216
Energy: 0.5970604875184604
Energy: 0.6186258084866167
Energy: 0.5959024374670197
Energy: 0.6057143399543378
Energy: 0.6053779445644498
Energy: 0.601460156726591
Energy: 0.6028435995496942
Energy: 0.6367672290208043
Energy: 0.6072680760495568
Energy: 0.6081066337549175
Energy: 0.6052981054470784
Energy: 0.6068609928066936
Energy: 0.609554316264689
Energy: 0.6192891209337827
Energy: 0.5942604488849682
Energy: 0.5816743178239122
Energy: 0.612301366989474
Energy: 0.5956938137989236
Energy: 0.580852484736961
Energy: 0.6209294250540497
Energy: 0.6078708452145093
Energy: 0.5769673282448498
Energy: 0.5819996931192158
Energy: 0.6068133908450462
Energy: 0.5766034416383619
Energy: 0.6397071172554051
Energy: 0.6225794715522112
Energy: 0.6035836445492307
Energy: 0.6036939644199886
Energy: 0.6212873905826887
Energy: 0.5913863435516762
Energy: 0.6349800207227757
Energy: 0.607144857577719
Energy: 0.6085468611668394
Energy: 0.6048578054648854
Energy: 0.6069955035057621
Energy: 0.6104395106935883
Energy: 0.6208089827209234
Energy: 0.5892491020416892
Energy: 0.5919491384211575
Energy: 0.5905513824094554
Energy: 0.5891445199045754
Energy: 0.5872949470624433
Energy: 0.621246169168911
Energy: 0.6051703172134283
Energy: 0.6090618020782678
Energy: 0.592426923004538
Energy: 0.5775627755662357
Energy: 0.5809009643863335
Energy: 0.626387020949194
Energy: 0.6072115932845296
Energy: 0.6075003266613747
Energy: 0.6062400755965811
Energy: 0.6079346322413274
Energy: 0.6067861753772649
Energy: 0.6241204763740114
Energy: 0.5929367886715647
Energy: 0.5845917195645464
Energy: 0.6115858234667279
Energy: 0.5922212338943601
Energy: 0.5874847811655773
Energy: 0.621654816594063
Energy: 0.5885570165662293
Energy: 0.5828490001968385
Energy: 0.5902068709450516
Energy: 0.5888355239104236
Energy: 0.5848127207793516
Energy: 0.6038344602695189
Energy: 0.5885726117303492
Energy: 0.582932134860605
Energy: 0.5919086575362971
Energy: 0.6016519652264163
Energy: 0.5924013360919527
Energy: 0.6108906174924832
Energy: 0.5847388067483774
Energy: 0.5860196127663164
Energy: 0.598500569554895
Energy: 0.5852104548839104
Energy: 0.5840023548656991
Energy: 0.6083308197073438
Energy: 0.5801939719823996
Energy: 0.5762579850608166
Energy: 0.6028271501816629
Energy: 0.5806640709164858
Energy: 0.576270190509903
Energy: 0.6209856275204063
Energy: 0.5717669554389977
Energy: 0.5716247876304719
Energy: 0.6228635242646369
Energy: 0.6011659783468173
Energy: 0.6107558409558702
Energy: 0.62061966625303
Energy: 0.5715908265921442
Energy: 0.5980535274012811
Energy: 0.6029802816677833
Energy: 0.5995655940521579
Energy: 0.6031794011476129
Energy: 0.6355222028119021
Energy: 0.5811899165929412
Energy: 0.5763725478609112
Energy: 0.5893814220738955
Energy: 0.5822885908310169
Energy: 0.5759993067566764
Energy: 0.6265701078738322
Energy: 0.5991647188345335
Energy: 0.5805253064639854
Energy: 0.6065189610873121
Energy: 0.5969712092209074
Energy: 0.5806180894753711
Energy: 0.6210651810241322
Energy: 0.6033928183817062
Energy: 0.6037553448874587
Energy: 0.6070684575086838
Energy: 0.6014255654039993
Energy: 0.6102565167041571
Energy: 0.6205553194811577
Energy: 0.6070900672929065
Energy: 0.610856418838984
Energy: 0.5962197054261215
Energy: 0.6056316989174063
Energy: 0.5977110788553276
Energy: 0.6412964357067185
Energy: 0.6319465510473548
Energy: 0.6308480646283197
Energy: 0.6007394859020143
Energy: 0.6312652961760588
Energy: 0.6031300396016531

minimum gb energy = 0.5715908265921442 eV
minimum distance =  2.68612067252206 Angstroms
sigma value = 101


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

Energy: 0.9035125235269971
Energy: 0.5910157913162809
Energy: 0.5944425612154296
Energy: 0.5580187719901543
Energy: 0.5792715920202838
Energy: 0.5575492968507239
Energy: 0.6645528823275857
Energy: 0.5752062220494264
Energy: 0.5761550558397126
Energy: 0.5844475672004535
Energy: 0.5749786539992665
Energy: 0.5900936470017137
Energy: 0.6185882028961461
Energy: 0.5877052311632032
Energy: 0.5753513239930544
Energy: 0.5783761641714008
Energy: 0.5846863163624784
Energy: 0.5762106182849172
Energy: 0.6052253692658666
Energy: 0.5918774008062494
Energy: 0.5937912151162471
Energy: 0.5750483130778995
Energy: 0.5836351537475294
Energy: 0.5768465481548871
Energy: 0.5959734061802802
Energy: 0.5785573437570809
Energy: 0.5769458669055324
Energy: 0.5941076380248413
Energy: 0.5784148124979561
Energy: 0.593007630130293
Energy: 0.6025485626279093
Energy: 0.5936584180386577
Energy: 0.5908921349590014
Energy: 0.5988786834605763
Energy: 0.5932352285763108
Energy: 0.5921220981781099
Energy: 0.6151731894807396
Energy: 0.5867816718861136
Energy: 0.5760405068517113
Energy: 0.6001244401365136
Energy: 0.5822851240049641
Energy: 0.575114768692183
Energy: 0.6035264211231659
Energy: 0.5886189989834982
Energy: 0.5889133069602445
Energy: 0.5751095492603162
Energy: 0.5952359638212201
Energy: 0.5761570424648823
Energy: 0.5882351372264463
Energy: 0.5748291720229078
Energy: 0.5769861479393732
Energy: 0.5855717835852786
Energy: 0.5737381143818584
Energy: 0.58543027791873
Energy: 0.5876756424867741
Energy: 0.5900766274592919
Energy: 0.5957153849197632
Energy: 0.5843950716602173
Energy: 0.5980784524205461
Energy: 0.5956762318501984
Energy: 0.6037358266230509
Energy: 0.5557407407300949
Energy: 0.5552654718139072
Energy: 0.57597551817509
Energy: 0.5762761038326947
Energy: 0.556079192254216
Energy: 0.6189571262247469
Energy: 0.5874866548131931
Energy: 0.5877377520823954
Energy: 0.5787633437487706
Energy: 0.5870257316794858
Energy: 0.5892831195419599
Energy: 0.6003700067851858
Energy: 0.5756879841429514
Energy: 0.5763288563353853
Energy: 0.582924059202679
Energy: 0.5760842543872671
Energy: 0.5763464728841199
Energy: 0.6142822535678851
Energy: 0.5784797934753111
Energy: 0.590081271354736
Energy: 0.5815551786278632
Energy: 0.5782829719914689
Energy: 0.5897952733546374
Energy: 0.6156174107998552
Energy: 0.5851322572634805
Energy: 0.5857490903725765
Energy: 0.578409575144089
Energy: 0.5857129723449122
Energy: 0.5873752131580492
Energy: 0.6163233132480334
Energy: 0.593533292532286
Energy: 0.5934158255615696
Energy: 0.5756530999657414
Energy: 0.5888174737563576
Energy: 0.5927457942646323
Energy: 0.6007092000638742
Energy: 0.6155244562157348
Energy: 0.5902148820078238
Energy: 0.5727897380462929
Energy: 0.5946538176416756
Energy: 0.5825747716919235
Energy: 0.6482977985597675
Energy: 0.5754646889962846
Energy: 0.576117540902844
Energy: 0.5922186620110546
Energy: 0.5753329710138675
Energy: 0.5902639486062883
Energy: 0.6162125514953065
Energy: 0.5869848110112784
Energy: 0.5876053268551495
Energy: 0.5740430712976745
Energy: 0.5861664872883477
Energy: 0.576787542782515
Energy: 0.6034120926761607
Energy: 0.5881451690958375
Energy: 0.5880747495344488
Energy: 0.5750391821985329
Energy: 0.5844125773013912
Energy: 0.5886377700945356
Energy: 0.5974642338000058
Energy: 0.5754068641663574
Energy: 0.5764407119408526
Energy: 0.5920009586339889
Energy: 0.5755574691609677
Energy: 0.588435645903514
Energy: 0.6133142096818447
Energy: 0.5759788787725287
Energy: 0.5767551309703327
Energy: 0.5863422041587428
Energy: 0.5756241160677765
Energy: 0.5874362512272162
Energy: 0.6058463721095803
Energy: 0.5840829435751759
Energy: 0.5905416075925419
Energy: 0.593059743340183
Energy: 0.5835562484209359
Energy: 0.5825247468589486
Energy: 0.6037882755643571
Energy: 0.5859456501531686
Energy: 0.5872333572766552
Energy: 0.5759974992598409
Energy: 0.583911314477008
Energy: 0.5761085146629696
Energy: 0.5921938052689825
Energy: 0.5763094715910424
Energy: 0.5892047586749247
Energy: 0.5863174361214237
Energy: 0.5743321497365936
Energy: 0.5885585754853624
Energy: 0.587452804749089
Energy: 0.5915351103882764
Energy: 0.5907706426742042
Energy: 0.5849945789169912
Energy: 0.5787776135171065
Energy: 0.5900093884869743
Energy: 0.5892730568974113
Energy: 0.5776130669161449
Energy: 0.5839822776824802
Energy: 0.5721273488829379
Energy: 0.5768528171883127
Energy: 0.5559324065312312
Energy: 0.6164589341328752
Energy: 0.5768942430861145
Energy: 0.5857349622867208
Energy: 0.5785690896685919
Energy: 0.5759783941236584
Energy: 0.5897703116123657
Energy: 0.5991907927523844
Energy: 0.5788210883632797
Energy: 0.5781510580733629
Energy: 0.5814941421010442
Energy: 0.5783880547241925
Energy: 0.5898640220461894
Energy: 0.5994130920153733
Energy: 0.5825455900248572
Energy: 0.5833999983172637
Energy: 0.582616030095092
Energy: 0.5721507948860898
Energy: 0.5837997209067217
Energy: 0.6171731909879173
Energy: 0.5886422763124094
Energy: 0.5884582668786179
Energy: 0.5788352128510924
Energy: 0.5839426377381626
Energy: 0.5892958394821526
Energy: 0.6165465849498403
Energy: 0.5850152794186038
Energy: 0.589138958431021
Energy: 0.5741624223768232
Energy: 0.5847442447979141
Energy: 0.5900249761450064
Energy: 0.6025789628714745
Energy: 0.5923767914537331
Energy: 0.5909238199760244
Energy: 0.5733352326042178
Energy: 0.575301100749794
Energy: 0.5904759846475245

minimum gb energy = 0.5552654718139072 eV
minimum distance =  2.68589672965401 Angstroms
sigma value = 33


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

Energy: 0.009789538975858747
Energy: 0.5787464624768978
Energy: 0.010149181102873897
Energy: 0.010938351008826765
Energy: 0.5788429558236808
Energy: 0.010092279650883258
Energy: 0.2723654798228926
Energy: 0.07303917749034206
Energy: 0.07223405615972439
Energy: 0.07471143272690482
Energy: 0.07416534973672162
Energy: 0.07241959633518937
Energy: 0.7786728920624567
Energy: 0.5774905970608456
Energy: 0.576454158867031
Energy: 0.5805099917957499
Energy: 0.5796052219038136
Energy: 0.5764874713794146
Energy: 0.2723654798235437
Energy: 0.07303917749067686
Energy: 0.07223405615905475
Energy: 0.07471143272690482
Energy: 0.07416534973540091
Energy: 0.07241959633584043

minimum gb energy = 0.009789538975858747 eV
minimum distance =  2.90439624590506 Angstroms
sigma value = 1