Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650822877884
cohesive_energy=3.3602642806077516
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.94765107381162e-19, 4.1539633589717995e-19, 4.3350093186138e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010353198126729564
Energy: 0.050101963237393424
Energy: 0.49404178448582037
Energy: 0.010813167673624644
Energy: 0.050101963237393424
Energy: 0.485707901873563
Energy: 0.010813167673624644
Energy: 0.4857079018740362
Energy: 0.49404178448582037
Energy: 0.010813167673624644
Energy: 0.010353198126729564
Energy: 0.05010196323789446
Energy: 0.010813167674097849
Energy: 0.4857079018740362
Energy: 0.05010196323789446
Energy: 0.485707901873563

minimum gb energy = 0.010353198126729564 eV
minimum distance =  2.73407100049966 Angstroms
sigma value = 1


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

Energy: 0.576367927137349
Energy: 0.5680073390435426
Energy: 0.5694437821798471
Energy: 0.5247258036378873
Energy: 0.5299427995556869
Energy: 0.5580687010026303
Energy: 0.5305019123294799
Energy: 0.5580687010020225
Energy: 0.5684501341904238
Energy: 0.5682828998619266
Energy: 0.5301983645750268
Energy: 0.568282899861319
Energy: 0.5299716673602245
Energy: 0.5503193968080429
Energy: 0.5307472315579925
Energy: 0.5503193968086505
Energy: 0.5396487328149617
Energy: 0.5494599894002632
Energy: 0.5319780920569547
Energy: 0.5494599894008709
Energy: 0.5302740284061883
Energy: 0.5640151882274642
Energy: 0.5317140862385143
Energy: 0.5640151882274642
Energy: 0.5431436634181213
Energy: 0.5658112579554839
Energy: 0.5410060935026393
Energy: 0.5658112579554839
Energy: 0.543599139898225
Energy: 0.5643340119162874
Energy: 0.5451054758290722
Energy: 0.5643340119162874
Energy: 0.5440801604748673
Energy: 0.5525585540042115
Energy: 0.5450110675129617
Energy: 0.5525585540042115
Energy: 0.5582397706559505
Energy: 0.553042744979351
Energy: 0.5450134201353198
Energy: 0.553042744979351
Energy: 0.543046546316046
Energy: 0.5525487642260104
Energy: 0.545702443919662
Energy: 0.5525487642260104
Energy: 0.5434967289649559
Energy: 0.5528238011669343
Energy: 0.5623849008967597
Energy: 0.5528238011669343
Energy: 0.5454627301325787
Energy: 0.5647225361125738
Energy: 0.5354399560395735
Energy: 0.5647225361125738
Energy: 0.5305336785445764
Energy: 0.5633157985950666
Energy: 0.5474824865484471
Energy: 0.5633157985956743
Energy: 0.5347355075962922
Energy: 0.5497881933521346
Energy: 0.5450977690219642
Energy: 0.5497881933521346
Energy: 0.5237823321908791
Energy: 0.550582268864899
Energy: 0.530198939085865
Energy: 0.5505822688642915
Energy: 0.5687229178725778
Energy: 0.5311103963057416
Energy: 0.5246430353892572
Energy: 0.5311103963063493
Energy: 0.5310005761847836
Energy: 0.5494369620002071
Energy: 0.5351979741304802
Energy: 0.5494369620002071
Energy: 0.5307850569513193
Energy: 0.5687284057945576
Energy: 0.5696186541145283
Energy: 0.56872840579395
Energy: 0.5292608198434878
Energy: 0.5496540348176069
Energy: 0.5299451393895799
Energy: 0.5496540348176069
Energy: 0.5325454701646942
Energy: 0.5493549936779736
Energy: 0.5402583762572343
Energy: 0.549354993677366
Energy: 0.532104691888005
Energy: 0.5498998706605004
Energy: 0.5301640608600434
Energy: 0.549899870661108
Energy: 0.5414167848710661
Energy: 0.565083238021037
Energy: 0.5425634941956975
Energy: 0.565083238021037
Energy: 0.5470902782605452
Energy: 0.5492505604098643
Energy: 0.5416400802571011
Energy: 0.5492505604098643
Energy: 0.551194073189089
Energy: 0.5533430072319124
Energy: 0.5444104439594012
Energy: 0.5533430072319124
Energy: 0.5455587223411533
Energy: 0.5535223391658902
Energy: 0.5594715825606995
Energy: 0.5535223391664978
Energy: 0.5456931730256456
Energy: 0.5532983906738377
Energy: 0.5431990430529712
Energy: 0.5532983906738377
Energy: 0.5611944440526846
Energy: 0.5517706080678704
Energy: 0.5405273288748731
Energy: 0.5517706080678704
Energy: 0.5361209122161759
Energy: 0.5646931123880555
Energy: 0.5411506908945543
Energy: 0.5646931123868403
Energy: 0.5464037198965491
Energy: 0.5635255247943047
Energy: 0.5359358214465271
Energy: 0.5635255247943047
Energy: 0.5331565400196083
Energy: 0.5507391095278296
Energy: 0.5350468725732905
Energy: 0.5507391095284372
Energy: 0.5308327320480913
Energy: 0.5502430323510978
Energy: 0.5235283301959945
Energy: 0.5502430323510978
Energy: 0.5245142973122635
Energy: 0.5308317784174397
Energy: 0.5306262246963829
Energy: 0.5308317784174397

minimum gb energy = 0.5235283301959945 eV
minimum distance =  2.53386611987739 Angstroms
sigma value = 1


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

Energy: 0.6103242771445462
Energy: 0.5951751029889079
Energy: 0.5950537989386051
Energy: 0.5469603556473103
Energy: 0.5534755009898776
Energy: 0.5825598839551723
Energy: 0.5535400083307185
Energy: 0.5825598839558651
Energy: 0.5957818644102385
Energy: 0.5953266292538494
Energy: 0.5531723920864108
Energy: 0.5953266292531566
Energy: 0.5523613748815084
Energy: 0.5744355728533751
Energy: 0.5537020500783948
Energy: 0.5744355728526823
Energy: 0.5538906461919589
Energy: 0.574703318207251
Energy: 0.5539455357788722
Energy: 0.5747033182065583
Energy: 0.5531495046737904
Energy: 0.592947447324025
Energy: 0.5552296681182217
Energy: 0.5929474473247179
Energy: 0.5665955034077842
Energy: 0.5937939101154629
Energy: 0.5660788826022197
Energy: 0.5937939101168486
Energy: 0.5678642087655312
Energy: 0.5884001093098716
Energy: 0.5692850826514049
Energy: 0.5884001093098716
Energy: 0.5662663355508027
Energy: 0.5836967577680563
Energy: 0.5693442450732876
Energy: 0.5836967577687492
Energy: 0.5676210993495413
Energy: 0.5859820565461554
Energy: 0.5673347887349919
Energy: 0.5859820565482339
Energy: 0.5598213382927429
Energy: 0.5935825242521681
Energy: 0.5662023799846129
Energy: 0.5935825242500895
Energy: 0.5740161954776106
Energy: 0.5926825727150542
Energy: 0.5534393578817476
Energy: 0.5926825727143614
Energy: 0.5551249105926938
Energy: 0.5746741876818187
Energy: 0.5590538551709352
Energy: 0.5746741876818187
Energy: 0.5538503390480256
Energy: 0.5744953130289171
Energy: 0.5451666457749725
Energy: 0.57449531302961
Energy: 0.5449372894333391
Energy: 0.5530090892294426
Energy: 0.5944355292895503
Energy: 0.5530090892301354
Energy: 0.5597036240292051
Energy: 0.5745510469786631
Energy: 0.5535473377025191
Energy: 0.5745510469779702
Energy: 0.5971919175727535
Energy: 0.5950141800766453
Energy: 0.5540498781512312
Energy: 0.5950141800766453
Energy: 0.5528662163593727
Energy: 0.5533354664955071
Energy: 0.5520498993764216
Energy: 0.5533354664948144
Energy: 0.5539204032208204
Energy: 0.5752943118958552
Energy: 0.5537519487844856
Energy: 0.5752943118972409
Energy: 0.5532180850474738
Energy: 0.5745411439189911
Energy: 0.5559362668057785
Energy: 0.5745411439189911
Energy: 0.5678594004989984
Energy: 0.5943478954666193
Energy: 0.5659989590581744
Energy: 0.5943478954652336
Energy: 0.5670177964195345
Energy: 0.5924760004340984
Energy: 0.5676159957627749
Energy: 0.59247600043202
Energy: 0.5663359755193832
Energy: 0.5841720118062586
Energy: 0.569196624866953
Energy: 0.5841720118069513
Energy: 0.5670522777763215
Energy: 0.5839862221887041
Energy: 0.5685903000762269
Energy: 0.5839862221887041
Energy: 0.5597284121435032
Energy: 0.593874631541655
Energy: 0.5668928956420044
Energy: 0.5938746315402693
Energy: 0.5615361184782067
Energy: 0.5926476468471237
Energy: 0.5539531001043506
Energy: 0.5926476468471237
Energy: 0.5557602484358241
Energy: 0.5751050208339324
Energy: 0.5590312973583291
Energy: 0.5751050208346252
Energy: 0.5544423211380748
Energy: 0.5750546454496726
Energy: 0.5450399111451055
Energy: 0.575054645451751
Energy: 0.5453655288040123
Energy: 0.5535501641772143
Energy: 0.554227447471019
Energy: 0.5535501641785999

minimum gb energy = 0.5449372894333391 eV
minimum distance =  2.53652303589618 Angstroms
sigma value = 25


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

Energy: 0.6339696716754644
Energy: 0.6257977377849363
Energy: 0.6240000217235439
Energy: 0.5699785642711992
Energy: 0.5791447318533484
Energy: 0.6082536845844495
Energy: 0.5786302137691404
Energy: 0.6082536845844495
Energy: 0.6238003139210049
Energy: 0.6242540914621052
Energy: 0.6246383597983559
Energy: 0.6242540914612997
Energy: 0.5770706710509547
Energy: 0.6031589112395289
Energy: 0.578754874408625
Energy: 0.6031589112403343
Energy: 0.5784018175438389
Energy: 0.6027432116711146
Energy: 0.5789034384687589
Energy: 0.6027432116711146
Energy: 0.5773536581363161
Energy: 0.6333600800607617
Energy: 0.5804438863914835
Energy: 0.6333600800607617
Energy: 0.588548756615043
Energy: 0.6262252974619997
Energy: 0.587029002470384
Energy: 0.6262252974619997
Energy: 0.5879859931873352
Energy: 0.6105128505169606
Energy: 0.5732478175464617
Energy: 0.6105128505177658
Energy: 0.5882206630534613
Energy: 0.6261682998121663
Energy: 0.5857588700306707
Energy: 0.6261682998121663
Energy: 0.5773475202479931
Energy: 0.6258019540998888
Energy: 0.5792521777941987
Energy: 0.6258019540998888
Energy: 0.5666047129412886
Energy: 0.6027355420138505
Energy: 0.580783798981244
Energy: 0.6027355420138505
Energy: 0.5664529949918057
Energy: 0.6027488162217272
Energy: 0.5784785870816098
Energy: 0.6027488162225325
Energy: 0.6234662997494486
Energy: 0.5767023529317623
Energy: 0.5668510167346856
Energy: 0.5767023529317623
Energy: 0.578821711140508
Energy: 0.6032707501327564
Energy: 0.5858194140019162
Energy: 0.6032707501327564
Energy: 0.5774839934719316
Energy: 0.6240483506553165
Energy: 0.6253555514242838
Energy: 0.6240483506553165
Energy: 0.5758222762647345
Energy: 0.5773046840771198
Energy: 0.5769872821109879
Energy: 0.5773046840771198
Energy: 0.578643785326423
Energy: 0.6028943018780654
Energy: 0.5783795838948083
Energy: 0.6028943018780654
Energy: 0.5796730497096676
Energy: 0.6026763491086672
Energy: 0.57754751682703
Energy: 0.6026763491086672
Energy: 0.5874661738398367
Energy: 0.6275009829083459
Energy: 0.576824057667419
Energy: 0.6275009829083459
Energy: 0.5734668606603182
Energy: 0.625607880132976
Energy: 0.5892923155350561
Energy: 0.625607880132976
Energy: 0.5856003542043784
Energy: 0.6274183232121797
Energy: 0.5880833174434993
Energy: 0.6274183232113743
Energy: 0.5854945596142006
Energy: 0.6263336550819798
Energy: 0.5787615471336529
Energy: 0.6263336550819798
Energy: 0.5807959136392649
Energy: 0.603137649072959
Energy: 0.5665400488833181
Energy: 0.6031376490737644
Energy: 0.5789293996025857
Energy: 0.6031906605072663
Energy: 0.5665491285051278
Energy: 0.6031906605080718
Energy: 0.5667960493066405
Energy: 0.5766316890839521
Energy: 0.5766352252972553
Energy: 0.5766316890847576

minimum gb energy = 0.5664529949918057 eV
minimum distance =  2.54196607424637 Angstroms
sigma value = 9


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

Energy: 0.6523630629504558
Energy: 0.6544266197047516
Energy: 0.653840804625087
Energy: 0.5899309916737556
Energy: 0.595814256740444
Energy: 0.6319237230246314
Energy: 0.5958970610847826
Energy: 0.6319237230236707
Energy: 0.653602435300069
Energy: 0.6534767353006781
Energy: 0.5894210426902081
Energy: 0.6534767352997174
Energy: 0.5909423294932358
Energy: 0.6320646474213093
Energy: 0.5957650154843993
Energy: 0.6320646474203485
Energy: 0.5942009343362625
Energy: 0.6317752148082818
Energy: 0.5960425608406795
Energy: 0.6317752148092425
Energy: 0.5983597338073166
Energy: 0.6812130545084085
Energy: 0.5971408274344424
Energy: 0.6812130545084085
Energy: 0.5947614988309402
Energy: 0.6679973203464756
Energy: 0.5962146597370727
Energy: 0.6679973203464756
Energy: 0.5961809507062605
Energy: 0.6496365962859613
Energy: 0.6230051912533431
Energy: 0.6496365962850005
Energy: 0.5969831300278186
Energy: 0.6317406542080626
Energy: 0.5846377091022718
Energy: 0.6317406542080626
Energy: 0.5955859020870253
Energy: 0.6318371152029651
Energy: 0.5849384858614922
Energy: 0.6318371152039258
Energy: 0.5844033876383408
Energy: 0.5908211704156224
Energy: 0.6536362863743438
Energy: 0.5908211704156224
Energy: 0.5945520705232435
Energy: 0.5910001319517697
Energy: 0.5963846671196592
Energy: 0.5910001319517697
Energy: 0.6564105835776146
Energy: 0.6539130103567785
Energy: 0.5893071665409576
Energy: 0.6539130103567785
Energy: 0.5911265431010468
Energy: 0.5911012903979476
Energy: 0.5893609876622073
Energy: 0.5911012903998691
Energy: 0.5944720245801647
Energy: 0.6317674332896369
Energy: 0.5955612728292369
Energy: 0.6317674332905977
Energy: 0.5960798067970174
Energy: 0.631901821680179
Energy: 0.5960368916870649
Energy: 0.631901821680179
Energy: 0.5947565237251825
Energy: 0.6703908201475997
Energy: 0.5963274180724117
Energy: 0.6703908201475997
Energy: 0.5948596690657838
Energy: 0.6703180777061574
Energy: 0.5971612498564747
Energy: 0.670318077707118
Energy: 0.5971372778898364
Energy: 0.6318781843095196
Energy: 0.5845529776821811
Energy: 0.6318781843095196
Energy: 0.5961077987255183
Energy: 0.632016354098787
Energy: 0.5845554487731086
Energy: 0.632016354098787
Energy: 0.5843451234316538
Energy: 0.5907377044998006
Energy: 0.5904791649664127
Energy: 0.5907377044998006

minimum gb energy = 0.5843451234316538 eV
minimum distance =  2.56073846681838 Angstroms
sigma value = 25


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

Energy: 0.7029907852472537
Energy: 0.6760648169072179
Energy: 0.6747275312530994
Energy: 0.5944149363254286
Energy: 0.6025402839385715
Energy: 0.6248004011861192
Energy: 0.6031517272536604
Energy: 0.6248004011861192
Energy: 0.67428590376397
Energy: 0.6746693387313509
Energy: 0.5892395647595849
Energy: 0.6746693387313509
Energy: 0.5916668199337222
Energy: 0.6261777877039668
Energy: 0.6037594764592513
Energy: 0.6261777877039668
Energy: 0.6004166107687703
Energy: 0.6567381279890266
Energy: 0.603962629992066
Energy: 0.6567381279890266
Energy: 0.5905739164647761
Energy: 0.6568477526428744
Energy: 0.6028829239279184
Energy: 0.6568477526428744
Energy: 0.5882436408828048
Energy: 0.656705332872721
Energy: 0.6032122123259396
Energy: 0.656705332872721
Energy: 0.5882584073433099
Energy: 0.6560335892578769
Energy: 0.6034482482234735
Energy: 0.6560335892590651
Energy: 0.673838669902302
Energy: 0.5907852604561848
Energy: 0.5878949683799661
Energy: 0.5907852604561848
Energy: 0.6039492644919752
Energy: 0.5908102104792354
Energy: 0.5885413232272736
Energy: 0.5908102104780473
Energy: 0.5893556489491396
Energy: 0.6744408121165479
Energy: 0.677939468071283
Energy: 0.6744408121153597
Energy: 0.5917902247294807
Energy: 0.625999545875326
Energy: 0.5904838144606882
Energy: 0.6259995458741379
Energy: 0.6026001143425058
Energy: 0.65653803611866
Energy: 0.6003081686134399
Energy: 0.65653803611866
Energy: 0.6033415945798066
Energy: 0.6559463737982814
Energy: 0.5915747428354481
Energy: 0.6559463737982814
Energy: 0.6022635445347473
Energy: 0.6558796101420981
Energy: 0.5882712933583621
Energy: 0.6558796101420981
Energy: 0.6026646062240141
Energy: 0.6572305255380259
Energy: 0.5889406906914273
Energy: 0.6572305255380259
Energy: 0.5909461317872327
Energy: 0.5905890859518491
Energy: 0.5920298548300984
Energy: 0.5905890859518491

minimum gb energy = 0.5878949683799661 eV
minimum distance =  2.62874132452327 Angstroms
sigma value = 17


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

Energy: 1.0041575888950798
Energy: 0.7386971999427389
Energy: 0.7390758872488997
Energy: 0.6928153700020094
Energy: 0.6211987695548298
Energy: 0.6332306526135129
Energy: 0.6381539297833458
Energy: 0.6332306526128398
Energy: 0.6470771704462586
Energy: 0.6459747318760795
Energy: 0.6743224697871661
Energy: 0.6459747318760795
Energy: 0.6376496571169096
Energy: 0.6576725940526941
Energy: 0.6375585158825873
Energy: 0.6576725940526941
Energy: 0.6371099800741484
Energy: 0.686124435712619
Energy: 0.5991151413834015
Energy: 0.686124435712619
Energy: 0.6384862747929476
Energy: 0.6851360241729348
Energy: 0.6371485538998732
Energy: 0.6851360241722618
Energy: 0.6740030792193493
Energy: 0.6368220822416355
Energy: 0.6473437416262251
Energy: 0.6368220822423084
Energy: 0.6793353790197245
Energy: 0.6374614140779526
Energy: 0.6181184909138423
Energy: 0.6374614140786254
Energy: 0.696685253745236
Energy: 0.7383999185773932
Energy: 0.6743277326038697
Energy: 0.7383999185767203
Energy: 0.6884693193126094
Energy: 0.6686806601594738
Energy: 0.6385622903584964
Energy: 0.6686806601594738
Energy: 0.6373387688486285
Energy: 0.6310527581181682
Energy: 0.6084730466042343
Energy: 0.6310527581181682
Energy: 0.6765827297897189
Energy: 0.6293924532623452
Energy: 0.6176121686283853
Energy: 0.6293924532616723
Energy: 0.6744093290987111
Energy: 0.6297149178379393
Energy: 0.6293194308578148
Energy: 0.6297149178386123
Energy: 0.6757148983946025
Energy: 0.6298177775093873
Energy: 0.6090843172510133
Energy: 0.6298177775093873
Energy: 0.689962899117205
Energy: 0.6745462206354073
Energy: 0.6733254926129865
Energy: 0.67454622063608
Energy: 0.6396740702757842
Energy: 0.6751368739020577
Energy: 0.6733154211545395
Energy: 0.6751368739013848
Energy: 0.6744356446648613
Energy: 0.6378933502582864
Energy: 0.6090122076523758
Energy: 0.6378933502589593
Energy: 0.6744134945878832
Energy: 0.6379576256222874
Energy: 0.6459459403686728
Energy: 0.6379576256222874
Energy: 0.6396623591569667
Energy: 0.6865326672698517
Energy: 0.6377833145464973
Energy: 0.6865326672705248
Energy: 0.6574046090817299
Energy: 0.6859940373076372
Energy: 0.6373224257835147
Energy: 0.6859940373076372
Energy: 0.6409770520797643
Energy: 0.678959393955821
Energy: 0.6753243865541396
Energy: 0.678959393955821
Energy: 0.6458281198779502
Energy: 0.6458593500809784
Energy: 0.6733542290797748
Energy: 0.6458593500816514
Energy: 0.6383111244950798
Energy: 0.6667416301589473
Energy: 0.6511420822155843
Energy: 0.6667416301582744
Energy: 0.6740881451276296
Energy: 0.7381435402353795
Energy: 0.7378277857766409
Energy: 0.7381435402353795
Energy: 0.6193700983986052
Energy: 0.6294884710955887
Energy: 0.6756534999057855
Energy: 0.6294884710955887
Energy: 0.6179877076570782
Energy: 0.6296790265989105
Energy: 0.636510125562766
Energy: 0.6296790265989105
Energy: 0.609214182215157
Energy: 0.6099269202120624
Energy: 0.6750087264265252
Energy: 0.6099269202120624
Energy: 0.6115378272445297
Energy: 0.6298911695015089
Energy: 0.6736439058840901
Energy: 0.6298911695008361
Energy: 0.6208522570915296
Energy: 0.6296036018682916
Energy: 0.6740949909079276
Energy: 0.6296036018676185
Energy: 0.6731848907618788
Energy: 0.738100513815406
Energy: 0.7388133111564205
Energy: 0.738100513815406

minimum gb energy = 0.5991151413834015 eV
minimum distance =  2.55793115555331 Angstroms
sigma value = 53


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

Energy: 0.8860999689889895
Energy: 0.6651140644788713
Energy: 0.6661355744362403
Energy: 0.562466409410279
Energy: 0.6883731084996635
Energy: 0.5854322309943965
Energy: 0.68934602791872
Energy: 0.5854322309943965
Energy: 0.6652546848421462
Energy: 0.6653171293663016
Energy: 0.7183162820603669
Energy: 0.6653171293663016
Energy: 0.6881767664006461
Energy: 0.5862958598056426
Energy: 0.6874586634761793
Energy: 0.5862958598056426
Energy: 0.6983974151641416
Energy: 0.5855716839064626
Energy: 0.5527422589401564
Energy: 0.5855716839064626
Energy: 0.6870847378102886
Energy: 0.5867506043316599
Energy: 0.553032033352571
Energy: 0.5867506043316599
Energy: 0.8163842670529201
Energy: 0.6647488319399071
Energy: 0.6639937008634774
Energy: 0.6647488319414563
Energy: 0.8167391439769489
Energy: 0.5866308745240036
Energy: 0.6870847402337208
Energy: 0.5866308745240036
Energy: 0.665506008333089
Energy: 0.6654712345492515
Energy: 0.7180211069901874
Energy: 0.6654712345492515
Energy: 0.687199070461409
Energy: 0.5859994572911291
Energy: 0.6870573093651702
Energy: 0.5859994572911291
Energy: 0.6983262563570657
Energy: 0.586629879983026
Energy: 0.5530642405911337
Energy: 0.586629879983026
Energy: 0.6895761215094126
Energy: 0.5860131701269811
Energy: 0.5550878859520652
Energy: 0.5860131701269811
Energy: 0.8168119648956799
Energy: 0.5866611949872387
Energy: 0.6868162736620727
Energy: 0.5866611949872387

minimum gb energy = 0.5527422589401564 eV
minimum distance =  2.61393593432934 Angstroms
sigma value = 9


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

Energy: 0.847087290923203
Energy: 0.7658423780451421
Energy: 0.7664603962861821
Energy: 0.7283117974266475
Energy: 0.6228131700549708
Energy: 0.621805909579046
Energy: 0.7420450406330821
Energy: 0.621805909579046
Energy: 0.6289312890662397
Energy: 0.6336715122860462
Energy: 0.7851520106903966
Energy: 0.6336715122866197
Energy: 0.6260063785216419
Energy: 0.6220301881645194
Energy: 0.7723761206296301
Energy: 0.6220301881650928
Energy: 0.6267704771138779
Energy: 0.6219949185371609
Energy: 0.7229401225763359
Energy: 0.6219949185377343
Energy: 0.6499733822438735
Energy: 0.6217510256389299
Energy: 0.7219348024299697
Energy: 0.6217510256395034
Energy: 0.8558181007546822
Energy: 0.7702311742285004
Energy: 0.7686848188535965
Energy: 0.7702311742290477
Energy: 0.775655543756735
Energy: 0.690846297040074
Energy: 0.7642038126186035
Energy: 0.6908462970406474
Energy: 0.6634403803004723
Energy: 0.7541664182931913
Energy: 0.6687610726086239
Energy: 0.7541664182937649
Energy: 0.6138482885206425
Energy: 0.6688865614207026
Energy: 0.6898902143588332
Energy: 0.6688865614207026
Energy: 0.6664148304715783
Energy: 0.6762280655447885
Energy: 0.7554439798992184
Energy: 0.6762280655447885
Energy: 0.6791279058493089
Energy: 0.678201389387923
Energy: 0.8487988549260506
Energy: 0.6782013893873495
Energy: 0.7638615343139034
Energy: 0.6862969832537665
Energy: 0.6739724943543289
Energy: 0.6862969832543399
Energy: 0.7550857893949007
Energy: 0.6696309833824864
Energy: 0.6816850392080981
Energy: 0.6696309833824864
Energy: 0.7652267294132407
Energy: 0.6758626374143019
Energy: 0.6323807629971621
Energy: 0.6758626374143019
Energy: 0.7228280678730671
Energy: 0.6763072160665775
Energy: 0.6330592106334597
Energy: 0.6763072160671509
Energy: 0.6886741397800157
Energy: 0.6756999019320097
Energy: 0.6712736377589978
Energy: 0.6756999019314364
Energy: 0.7657405025421514
Energy: 0.7659064850694947
Energy: 0.8474262519054253
Energy: 0.7659064850694947
Energy: 0.7563485769557997
Energy: 0.6222439775793235
Energy: 0.6611027688514514
Energy: 0.6222439775793235
Energy: 0.7848695820761727
Energy: 0.6370509190642675
Energy: 0.6212408159886693
Energy: 0.6370509190642675
Energy: 0.7722966838670171
Energy: 0.6227396214520116
Energy: 0.6241680143776169
Energy: 0.6227396214520116
Energy: 0.7219902720974767
Energy: 0.6218293494519026
Energy: 0.6253620278445738
Energy: 0.6218293494501825
Energy: 0.7225890099583573
Energy: 0.6218955958055504
Energy: 0.6486877708346933
Energy: 0.6218955957980965
Energy: 0.7661668359537693
Energy: 0.66163453672931
Energy: 0.7878864842960236
Energy: 0.6616345367304569
Energy: 0.7647330163755163
Energy: 0.6918068513376935
Energy: 0.7341776383073584
Energy: 0.6918068513376935
Energy: 0.6699272484303406
Energy: 0.6882716907261401
Energy: 0.6659296478864805
Energy: 0.6882716907261401
Energy: 0.6891923528268583
Energy: 0.6687388186565458
Energy: 0.613411255587072
Energy: 0.6687388186565458
Energy: 0.7282241143316508
Energy: 0.6834562602020242
Energy: 0.6657011774289875
Energy: 0.6834562602020242
Energy: 0.8476709739609554
Energy: 0.6796209032852599
Energy: 0.690997520536369
Energy: 0.6796209032846864
Energy: 0.6916207050691712
Energy: 0.6861694668940558
Energy: 0.7757993364602022
Energy: 0.6861694668934823
Energy: 0.6826339284602579
Energy: 0.6786129382083497
Energy: 0.7866854776835446
Energy: 0.6786129382089231
Energy: 0.6384003306974521
Energy: 0.6855295625843922
Energy: 0.7668715100194409
Energy: 0.6855295625849657
Energy: 0.6321849427318333
Energy: 0.676457138889954
Energy: 0.7235011113901652
Energy: 0.676457138889954
Energy: 0.6700624012311334
Energy: 0.6758379331228238
Energy: 0.6470265188347758
Energy: 0.6758379331233971
Energy: 0.8481960256655413
Energy: 0.7656313497665415
Energy: 0.7656228449096083
Energy: 0.7656313497665415

minimum gb energy = 0.613411255587072 eV
minimum distance =  2.53775874912003 Angstroms
sigma value = 73


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

Energy: 0.8879945218999942
Energy: 0.7200706760096648
Energy: 0.7216089755728646
Energy: 0.6684904854942237
Energy: 0.6349666544736964
Energy: 0.6360590098481325
Energy: 0.6707586568345909
Energy: 0.6360590098481325
Energy: 0.6313940766427335
Energy: 0.6336127191871982
Energy: 0.7490803129560148
Energy: 0.6336127191862885
Energy: 0.630995049307385
Energy: 0.6311599114155155
Energy: 0.6787905232379244
Energy: 0.6311599114155155
Energy: 0.6402885110450922
Energy: 0.6374269554872067
Energy: 0.7654932263415338
Energy: 0.6374269554872067
Energy: 0.6539917362345405
Energy: 0.6381940411043941
Energy: 0.7683186676964368
Energy: 0.6381940411043941
Energy: 0.6693468947388003
Energy: 0.7720358404969437
Energy: 0.7610804131494094
Energy: 0.7720358404978535
Energy: 0.6786184701126294
Energy: 0.6904470414391294
Energy: 0.6140744256822684
Energy: 0.6904470414391294
Energy: 0.6570739704441789
Energy: 0.7415470259319041
Energy: 0.7530877833108869
Energy: 0.7415470259328137
Energy: 0.6601269395944791
Energy: 0.6960657906999776
Energy: 0.6309344715449943
Energy: 0.6960657906999776
Energy: 0.6784509674473674
Energy: 0.6350635220729581
Energy: 0.6139507296315064
Energy: 0.6350635220738678
Energy: 0.65950209879853
Energy: 0.6204148993877231
Energy: 0.7926028400088488
Energy: 0.620414899388633
Energy: 0.7123002931239758
Energy: 0.6639559580874933
Energy: 0.6339963510734997
Energy: 0.6639559580874933
Energy: 0.7515264482529267
Energy: 0.6862867387058805
Energy: 0.6690750085956897
Energy: 0.6862867387058805
Energy: 0.6676957969248247
Energy: 0.6765990352797786
Energy: 0.6306307155356802
Energy: 0.6765990352797786
Energy: 0.7654625061445458
Energy: 0.6715674112962361
Energy: 0.6723013630534872
Energy: 0.6715674112962361
Energy: 0.6703294624099275
Energy: 0.6731055886758542
Energy: 0.6826447495513231
Energy: 0.6731055886758542
Energy: 0.741387354536949
Energy: 0.7328644124747321
Energy: 0.7792427371834113
Energy: 0.7328644124738224
Energy: 0.6342549878240165
Energy: 0.6674601122107189
Energy: 0.6735609908124036
Energy: 0.6674601122107189
Energy: 0.7140690629758586
Energy: 0.6647324277908507
Energy: 0.6685137808742391
Energy: 0.6647324277908507
Energy: 0.6339835655812032
Energy: 0.6888972438956547
Energy: 0.6618132641574014
Energy: 0.6888972438956547
Energy: 0.8261568034544168
Energy: 0.6650999363697896
Energy: 0.7360037854954072
Energy: 0.6650999363688799

minimum gb energy = 0.6139507296315064 eV
minimum distance =  2.53551457646379 Angstroms
sigma value = 7


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

Energy: 1.022190710060883
Energy: 0.7207317419235203
Energy: 0.7203518387173015
Energy: 0.6315142884874765
Energy: 0.627022800577096
Energy: 0.6251391553931351
Energy: 0.6245576821035379
Energy: 0.6251391553924919
Energy: 0.6256273466958951
Energy: 0.6260997388952251
Energy: 0.6904408547710801
Energy: 0.6260997388952251
Energy: 0.625553493013504
Energy: 0.6256155010245342
Energy: 0.6262610869502281
Energy: 0.6256155010245342
Energy: 0.628507584030934
Energy: 0.6343253987209668
Energy: 0.754297560618124
Energy: 0.6343253987228965
Energy: 0.6283134932808329
Energy: 0.6269253000039232
Energy: 0.7555624435098717
Energy: 0.62692530000328
Energy: 0.7691350645220816
Energy: 0.6258125401537236
Energy: 0.6254160725337208
Energy: 0.6258125401556535
Energy: 0.6240351874231119
Energy: 0.6272226831041562
Energy: 0.6527936256351292
Energy: 0.6272226831041562
Energy: 0.6261066556739497
Energy: 0.6257112653470067
Energy: 0.6297282127131294
Energy: 0.6257112653470067
Energy: 0.7501637899613913
Energy: 0.6460664923980467
Energy: 0.6297463716719395
Energy: 0.6460664923980467
Energy: 0.6262997920947572
Energy: 0.658850252320406
Energy: 0.6230445015291328
Energy: 0.6588502523223358
Energy: 0.722323426326416
Energy: 0.7050355918623687
Energy: 0.7681359651817429
Energy: 0.7050355918623687
Energy: 0.6967262780549845
Energy: 0.6563090981373635
Energy: 0.6315079102331322
Energy: 0.6563090981380068
Energy: 0.6947687321711573
Energy: 0.6564277059596916
Energy: 0.6314288481107763
Energy: 0.6564277059603348
Energy: 0.634349555975328
Energy: 0.6564524378780926
Energy: 0.6351682204633842
Energy: 0.6564524378793791
Energy: 0.7859203516345195
Energy: 0.7047851372994316
Energy: 0.7221444159669821
Energy: 0.7047851373013615
Energy: 0.6701062430134294
Energy: 0.6590421799280709
Energy: 0.7054773960344163
Energy: 0.6590421799280709
Energy: 0.6300432004189644
Energy: 0.6986385859606227
Energy: 0.6896744593339075
Energy: 0.6986385859631956
Energy: 0.6294632071498968
Energy: 0.6257667836067212
Energy: 0.6473348302491154
Energy: 0.6257667836073645
Energy: 0.6533703814155533
Energy: 0.6268511091914278
Energy: 0.6313330776856506
Energy: 0.6268511091914278
Energy: 0.6254213737840415
Energy: 0.626148395508894
Energy: 0.7525195971825858
Energy: 0.6261483955082507
Energy: 0.7726117540662383
Energy: 0.6330978523039321
Energy: 0.6299544310186203
Energy: 0.6330978523052186
Energy: 0.7717477649668226
Energy: 0.6342999836581737
Energy: 0.6276640464161437
Energy: 0.6342999836581737
Energy: 0.6269160112712965
Energy: 0.6249005741501943
Energy: 0.6255724589652416
Energy: 0.6249005741489078
Energy: 0.7509859288416147
Energy: 0.6262294636763497
Energy: 0.6261734576574337
Energy: 0.6262294636776363
Energy: 0.6889802247506545
Energy: 0.6259517760062399
Energy: 0.6271289065957544
Energy: 0.6259517760062399
Energy: 0.7203992788302279
Energy: 0.7204392186161774
Energy: 0.8849975968330679
Energy: 0.7204392186155342
Energy: 0.6285397026680466
Energy: 0.6572259253156008
Energy: 0.6273630022263614
Energy: 0.6572259253149574
Energy: 0.691026541107052
Energy: 0.6573638988477979
Energy: 0.6263259679939701
Energy: 0.6573638988471545
Energy: 0.6271815049853405
Energy: 0.6317411765924295
Energy: 0.6308888443309031
Energy: 0.6317411765924295
Energy: 0.7867733003811681
Energy: 0.6566621759335166
Energy: 0.7268479283678788
Energy: 0.6566621759328733

minimum gb energy = 0.6230445015291328 eV
minimum distance =  2.53894936305096 Angstroms
sigma value = 29


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

Energy: 0.5605679108981543
Energy: 0.6910868415120482
Energy: 0.6636381425841936
Energy: 0.5608953944593876
Energy: 0.7013527908313666
Energy: 0.6184977668830107
Energy: 0.5698363383605256
Energy: 0.6184977668832347
Energy: 0.6650760909896117
Energy: 0.5972083185412451
Energy: 0.5664759978666796
Energy: 0.5972083185412451
Energy: 0.5607600665018965
Energy: 0.5694164129571497
Energy: 0.57155939630254
Energy: 0.5694164129571497
Energy: 0.6633929414982112
Energy: 0.5695246256489997
Energy: 0.5606392427072
Energy: 0.5695246256489997
Energy: 0.5704864300571115
Energy: 0.5954512963030855
Energy: 0.5606337345295861
Energy: 0.5954512963033094
Energy: 0.5661025151677546
Energy: 0.5975075019738992
Energy: 0.664723984302622
Energy: 0.597507501973252
Energy: 0.5693909206981986
Energy: 0.5698019836904161
Energy: 0.5609255561582034
Energy: 0.569801983690192
Energy: 0.5608753458664997
Energy: 0.5697160143689737
Energy: 0.5704325155627501
Energy: 0.5697160143689737

minimum gb energy = 0.5605679108981543 eV
minimum distance =  2.58150476523851 Angstroms
sigma value = 5


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

Energy: 0.7748736359866186
Energy: 0.6957118651125321
Energy: 0.6972613659162613
Energy: 0.5830978921008879
Energy: 0.6280384875146966
Energy: 0.5839722864913974
Energy: 0.6425143258217899
Energy: 0.5839722864907898
Energy: 0.6431923629258468
Energy: 0.5879057928883488
Energy: 0.6854275208256804
Energy: 0.5879057928889565
Energy: 0.5907798099102143
Energy: 0.5838010473296593
Energy: 0.6552531540669935
Energy: 0.5838010473290516
Energy: 0.6187926706026683
Energy: 0.6085254463528709
Energy: 0.6897906974687228
Energy: 0.6085254463528709
Energy: 0.6086907395906862
Energy: 0.6083946973452415
Energy: 0.6898891476186264
Energy: 0.6083946973446339
Energy: 0.5845780194719569
Energy: 0.5848504978391296
Energy: 0.6552688741253477
Energy: 0.5848504978391296
Energy: 0.5840763293762983
Energy: 0.5843906150001321
Energy: 0.7774628170709915
Energy: 0.5843906150001321
Energy: 0.6142778079323638
Energy: 0.6678744755182879
Energy: 0.664911207258965
Energy: 0.6678744755182879
Energy: 0.6821385522269912
Energy: 0.5788409241264323
Energy: 0.590207660285306
Energy: 0.5788409241240017
Energy: 0.6138863166949042
Energy: 0.5787366033262175
Energy: 0.5812527258232263
Energy: 0.5787366033256097
Energy: 0.7843071523266595
Energy: 0.5788558874719422
Energy: 0.5787957365306409
Energy: 0.5788558874719422
Energy: 0.7799583842004908
Energy: 0.6676764838279658
Energy: 0.5784372189375028
Energy: 0.6676764838273583
Energy: 0.6241783351615057
Energy: 0.6669622034268522
Energy: 0.6861770375053866
Energy: 0.6669622034262446
Energy: 0.5863230091986099
Energy: 0.6053914736792927
Energy: 0.6902875961600384
Energy: 0.6053914736792927
Energy: 0.5884570507435033
Energy: 0.5845337974527997
Energy: 0.6280303450403343
Energy: 0.5845337974527997
Energy: 0.6969208823214392
Energy: 0.5848382722878464
Energy: 0.5923457413354951
Energy: 0.5848382722872387
Energy: 0.642626116076632
Energy: 0.5838710085556168
Energy: 0.5896714783622691
Energy: 0.5838710085556168
Energy: 0.6833480060774959
Energy: 0.6187670393727395
Energy: 0.6419633730575032
Energy: 0.618767039372132
Energy: 0.6560398915737474
Energy: 0.5843820900385107
Energy: 0.5888161211227638
Energy: 0.5843820900379031
Energy: 0.690358070600201
Energy: 0.6121157107546908
Energy: 0.6545031814995887
Energy: 0.6121157107540831
Energy: 0.6861595658203034
Energy: 0.5842907309576861
Energy: 0.609923548609851
Energy: 0.5842907309570786
Energy: 0.6559560543549703
Energy: 0.5841132841501305
Energy: 0.5858775903306767
Energy: 0.5841132841501305
Energy: 0.7807456966766122
Energy: 0.5843143984427296
Energy: 0.5843779546094662
Energy: 0.5843143984427296
Energy: 0.6649635867852044
Energy: 0.6674950998794021
Energy: 0.6140123631509339
Energy: 0.6674950998800098
Energy: 0.591986094057929
Energy: 0.5793225619511482
Energy: 0.6820005717197586
Energy: 0.5793225619511482
Energy: 0.5937626122189682
Energy: 0.5786133009805773
Energy: 0.6139434844866289
Energy: 0.5786133009805773
Energy: 0.5794216182752627
Energy: 0.5810992686353558
Energy: 0.5902027993267166
Energy: 0.5810992686353558
Energy: 0.5784797539949765
Energy: 0.5783523093878451
Energy: 0.7768460171183181
Energy: 0.5783523093872374
Energy: 0.6908996424856115
Energy: 0.6668427486144133
Energy: 0.6143929466533506
Energy: 0.6668427486138055
Energy: 0.691160473850716
Energy: 0.6038726002289364
Energy: 0.586635891953775
Energy: 0.6038726002283287
Energy: 0.6287232106460252
Energy: 0.5842841904338444
Energy: 0.5858888261776198
Energy: 0.5842841904338444
Energy: 0.5910215754475824
Energy: 0.5841892633052247
Energy: 0.6960109912341337
Energy: 0.5841892633052247

minimum gb energy = 0.5783523093872374 eV
minimum distance =  2.53172082468501 Angstroms
sigma value = 1


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

Energy: 0.8205980179246816
Energy: 0.6801634967403601
Energy: 0.6815875504188161
Energy: 0.5630840842989902
Energy: 0.5580536378934532
Energy: 0.5585073138487202
Energy: 0.6398010901779351
Energy: 0.5585073138487202
Energy: 0.6402753951956245
Energy: 0.5581333237850669
Energy: 0.695644935277975
Energy: 0.5581333237833865
Energy: 0.565563526099046
Energy: 0.5586938109829831
Energy: 0.65439839781591
Energy: 0.5586938109829831
Energy: 0.5588883295005864
Energy: 0.5587510610308662
Energy: 0.6384983352530884
Energy: 0.5587510610308662
Energy: 0.5590989315532969
Energy: 0.5586551390530914
Energy: 0.6384252382573126
Energy: 0.5586551390539125
Energy: 0.5577641407765702
Energy: 0.5576913319036548
Energy: 0.6524269706337601
Energy: 0.5576913319036548
Energy: 0.5586631018312774
Energy: 0.5584089828837685
Energy: 0.8249307282541803
Energy: 0.5584089828837685
Energy: 0.6519247984311207
Energy: 0.5900836374467496
Energy: 0.6779499138630068
Energy: 0.5900836374467496
Energy: 0.69238034452586
Energy: 0.5593891049218511
Energy: 0.5581597077052647
Energy: 0.5593891049218511
Energy: 0.6518803007116277
Energy: 0.5583945858669979
Energy: 0.5581640940730855
Energy: 0.5583945858661576
Energy: 0.6762621684082377
Energy: 0.5586869504127484
Energy: 0.5589379172718874
Energy: 0.5586869504144287
Energy: 0.8256165915739165
Energy: 0.5582154142582367
Energy: 0.5654638502860574
Energy: 0.5582154142582367
Energy: 0.6557115013415961
Energy: 0.5586112048536961
Energy: 0.6400817415244552
Energy: 0.5586112048536961
Energy: 0.5624124689023903
Energy: 0.5582751677078069
Energy: 0.6416289325330499
Energy: 0.5582751677086472
Energy: 0.5624605416020702
Energy: 0.5585673960418008
Energy: 0.6228167173382001
Energy: 0.5585673960418008
Energy: 0.6807752451546467
Energy: 0.5588511841132442
Energy: 0.6939506886435577
Energy: 0.558851184112404
Energy: 0.5660953466778186
Energy: 0.5589157027123988
Energy: 0.6506571005516972
Energy: 0.5589157027132389
Energy: 0.5584787059240958
Energy: 0.5594652603498069
Energy: 0.6780608307971943
Energy: 0.5594652603489667
Energy: 0.5592564799681992
Energy: 0.5860601920538094
Energy: 0.8235721741675333
Energy: 0.5860601920538094
Energy: 0.6403580206706041
Energy: 0.5913564114925075
Energy: 0.6226088466260686
Energy: 0.5913564114925075
Energy: 0.6384407997159863
Energy: 0.5852484601346565
Energy: 0.558747874949611
Energy: 0.5852484601338162
Energy: 0.6516326946153839
Energy: 0.5577507672374836
Energy: 0.5592668130780565
Energy: 0.5577507672366433
Energy: 0.8251216593716083
Energy: 0.5581017951533371
Energy: 0.5594965077543438
Energy: 0.5581017951524969

minimum gb energy = 0.5576913319036548 eV
minimum distance =  2.53380982175024 Angstroms
sigma value = 17


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

Energy: 0.871112896415953
Energy: 0.6801562201076117
Energy: 0.6822327844859126
Energy: 0.5564723377020234
Energy: 0.5541704016464237
Energy: 0.5520769904004554
Energy: 0.623427063047313
Energy: 0.5520769904004554
Energy: 0.682881337625477
Energy: 0.5521102558098144
Energy: 0.6356448968765239
Energy: 0.5521102558098144
Energy: 0.7113416261157158
Energy: 0.5492434981268383
Energy: 0.6055893653074211
Energy: 0.5492434981268383
Energy: 0.5971832271077102
Energy: 0.5489034483117501
Energy: 0.6699283980607996
Energy: 0.5489034483127886
Energy: 0.549327007599389
Energy: 0.5488986737947321
Energy: 0.6705042005456312
Energy: 0.5488986737947321
Energy: 0.5493117214948897
Energy: 0.5483943924170567
Energy: 0.605242606882341
Energy: 0.5483943924160181
Energy: 0.5546914426458358
Energy: 0.5485868958735487
Energy: 0.8705083239350797
Energy: 0.5485868958730293
Energy: 0.6758729628100767
Energy: 0.5487862063080629
Energy: 0.6380293985460236
Energy: 0.5487862063085821
Energy: 0.6322895517655436
Energy: 0.5784637980280122
Energy: 0.6031575692882191
Energy: 0.5784637980274929
Energy: 0.6737260389069699
Energy: 0.5526155282372059
Energy: 0.5546558471291322
Energy: 0.5526155282356481
Energy: 0.6699795414876802
Energy: 0.5705804869286307
Energy: 0.6144184115529129
Energy: 0.5705804869286307
Energy: 0.699894614008759
Energy: 0.5523790110390242
Energy: 0.5527693927530161
Energy: 0.5523790110390242
Energy: 0.6420254874530313
Energy: 0.5522553670533787
Energy: 0.5541758152228393
Energy: 0.5522553670528595
Energy: 0.7167194656893573
Energy: 0.5524091840952001
Energy: 0.5574556070494961
Energy: 0.5524091840962387
Energy: 0.7076423225139454
Energy: 0.5685196063886447
Energy: 0.5571402869456157
Energy: 0.5685196063896832
Energy: 0.5537183912727537
Energy: 0.5526336724722242
Energy: 0.7904774722676164
Energy: 0.5526336724722242
Energy: 0.5549066175818224
Energy: 0.5524822875566356
Energy: 0.6774461246555844
Energy: 0.552482287557155
Energy: 0.5525861497619826
Energy: 0.5528405754911017
Energy: 0.6801811924038894
Energy: 0.5528405754905824
Energy: 0.6831062944616139
Energy: 0.5529659956116646
Energy: 0.8713009967583992
Energy: 0.5529659956127032
Energy: 0.6230777038207077
Energy: 0.5520088330183942
Energy: 0.6420613111403052
Energy: 0.5520088330173556
Energy: 0.6379208785093309
Energy: 0.551945619404309
Energy: 0.6839101659013064
Energy: 0.5519456194032706
Energy: 0.6146610133769724
Energy: 0.5483828560331496
Energy: 0.7167433841165639
Energy: 0.5483828560331496
Energy: 0.7249675179005395
Energy: 0.5488392514474351
Energy: 0.548815568942887
Energy: 0.5488392514463966
Energy: 0.6707537050005675
Energy: 0.5489715716699379
Energy: 0.5492621655886004
Energy: 0.5489715716699379
Energy: 0.6047382141962824
Energy: 0.5486463026804592
Energy: 0.5514080098946985
Energy: 0.5486463026804592
Energy: 0.8707403655313721
Energy: 0.5495668031572096
Energy: 0.5549698276220949
Energy: 0.549566803157729
Energy: 0.6362077478005216
Energy: 0.5487230559372218
Energy: 0.6687703151764967
Energy: 0.5487230559377413
Energy: 0.6036918768496685
Energy: 0.6515590014239185
Energy: 0.6337822021495387
Energy: 0.6515590014239185
Energy: 0.5556104076418923
Energy: 0.5520721142774392
Energy: 0.6728447296545701
Energy: 0.5520721142764006
Energy: 0.5948400853329272
Energy: 0.5528936474283555
Energy: 0.6695419454344825
Energy: 0.5528936474293941
Energy: 0.5525304144012768
Energy: 0.5528814342197728
Energy: 0.6694859362451577
Energy: 0.5528814342202921
Energy: 0.5524891754516611
Energy: 0.5523555882870361
Energy: 0.6708336488234149
Energy: 0.5523555882870361
Energy: 0.5598755231334044
Energy: 0.5524144188070252
Energy: 0.711742670094255
Energy: 0.5524144188059867
Energy: 0.6766109342421944
Energy: 0.5708819088020634
Energy: 0.7073247516181592
Energy: 0.5708819088020634
Energy: 0.7901158485537284
Energy: 0.5530068256851595
Energy: 0.5542084715531324
Energy: 0.553006825686198
Energy: 0.6750225306874913
Energy: 0.5526395052006875
Energy: 0.5528751884341271
Energy: 0.5526395052001682
Energy: 0.6819391398362225
Energy: 0.5822531901478132
Energy: 0.5708461402579678
Energy: 0.5822531901467746

minimum gb energy = 0.5483828560331496 eV
minimum distance =  2.5291776558473 Angstroms
sigma value = 89


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

Energy: 0.8969620988524498
Energy: 0.6419094130741292
Energy: 0.641759055084212
Energy: 0.5264838138097081
Energy: 0.6222866533770629
Energy: 0.6222621653746336
Energy: 0.6042490855002566
Energy: 0.6222621653746336
Energy: 0.49111505888433576
Energy: 0.537084689299624
Energy: 0.6204124780149053
Energy: 0.537084689299624
Energy: 0.4936584533118899
Energy: 0.495841999951081
Energy: 0.6056929293592521
Energy: 0.495841999951081
Energy: 0.49582646404274494
Energy: 0.6178393219081753
Energy: 0.6197599097245732
Energy: 0.6178393219081753
Energy: 0.49628225931627584
Energy: 0.618261745963725
Energy: 0.6187656368596647
Energy: 0.618261745963725
Energy: 0.4959803850902358
Energy: 0.49437870829769925
Energy: 0.6241379331779224
Energy: 0.49437870829769925
Energy: 0.49521763705152827
Energy: 0.4948529753736058
Energy: 0.7104141030565718
Energy: 0.4948529753736058
Energy: 0.6048262298470873
Energy: 0.6179246951682605
Energy: 0.7107231042099227
Energy: 0.6179246951682605
Energy: 0.6208573399177445
Energy: 0.5360623553053669
Energy: 0.5484424642257704
Energy: 0.5360623553053669
Energy: 0.6233300608515632
Energy: 0.5356523992547414
Energy: 0.49112591774695796
Energy: 0.5356523992561001
Energy: 0.6181154369173053
Energy: 0.6177173237793646
Energy: 0.4954441311861431
Energy: 0.6177173237793646
Energy: 0.6172607167111829
Energy: 0.49479262738634994
Energy: 0.4946425602997987
Energy: 0.49479262738499125
Energy: 0.605829091791771
Energy: 0.49436387091415745
Energy: 0.4946351037686331
Energy: 0.49436387091415745
Energy: 0.7103052140633943
Energy: 0.4946681036740232
Energy: 0.49455514822108
Energy: 0.4946681036740232

minimum gb energy = 0.49111505888433576 eV
minimum distance =  2.55220101790565 Angstroms
sigma value = 13


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

Energy: 0.7977227096016827
Energy: 0.6319123259193983
Energy: 0.6382572598778584
Energy: 0.5031691697202298
Energy: 0.6375326079793354
Energy: 0.48545001579479397
Energy: 0.5415347201975385
Energy: 0.48545001579593294
Energy: 0.692090370026905
Energy: 0.4851196938685379
Energy: 0.5634641234199876
Energy: 0.4851196938685379
Energy: 0.6332315247681181
Energy: 0.6059454716007259
Energy: 0.538211006608413
Energy: 0.6059454716018648
Energy: 0.543051986339936
Energy: 0.5108461749724776
Energy: 0.6628592647198834
Energy: 0.5108461749713386
Energy: 0.540506710517569
Energy: 0.48525177645062506
Energy: 0.6604363826172521
Energy: 0.4852517764477776
Energy: 0.557407796167918
Energy: 0.4852741633869048
Energy: 0.6385483616578816
Energy: 0.48527416338747437
Energy: 0.491203284612579
Energy: 0.4859447892566695
Energy: 0.7500258425774345
Energy: 0.4859447892566695
Energy: 0.5010399972776903
Energy: 0.4988266109800624
Energy: 0.7506374292990434
Energy: 0.4988266109794929
Energy: 0.4917382556111703
Energy: 0.48550529898356354
Energy: 0.7550874131815484
Energy: 0.485505298984133
Energy: 0.48955981666934206
Energy: 0.4895173790393119
Energy: 0.7978065483005665
Energy: 0.48951737903817294
Energy: 0.6416052463994405
Energy: 0.48536799486463444
Energy: 0.5396547889089027
Energy: 0.48536799486520393
Energy: 0.6686923931531276
Energy: 0.5100503106341413
Energy: 0.6400170222636391
Energy: 0.5100503106341413
Energy: 0.6376525711664438
Energy: 0.4856901138776966
Energy: 0.6337345412651346
Energy: 0.4856901138776966
Energy: 0.7503855174443019
Energy: 0.48605219711906045
Energy: 0.540166850554712
Energy: 0.48605219712076886
Energy: 0.7501319260958212
Energy: 0.48599179698469613
Energy: 0.4914482264304916
Energy: 0.4859917969824182
Energy: 0.6368462744734337
Energy: 0.4857437825048522
Energy: 0.4886912863807353
Energy: 0.4857437825048522
Energy: 0.6847231296351997
Energy: 0.48588775859081845
Energy: 0.49215659379965776
Energy: 0.48588775859138794
Energy: 0.8122973473967863
Energy: 0.4889779827919002
Energy: 0.5364789870729811
Energy: 0.4889779827919002
Energy: 0.6416700576874187
Energy: 0.4852154833845074
Energy: 0.5593670110901277
Energy: 0.4852154833845074
Energy: 0.632284143250865
Energy: 0.4857585873405271
Energy: 0.5359636833421006
Energy: 0.48575858733995764
Energy: 0.6426156868593724
Energy: 0.5089904884310108
Energy: 0.6420265982822716
Energy: 0.5089904884293023
Energy: 0.5409299078870571
Energy: 0.48569841784422796
Energy: 0.6680240399167234
Energy: 0.48569841784365847
Energy: 0.48536468816133815
Energy: 0.4850139947354412
Energy: 0.7511099136526205
Energy: 0.48501399473259366
Energy: 0.536904559881917
Energy: 0.4858336262989584
Energy: 0.7493210111592391
Energy: 0.485833626299502
Energy: 0.48771214029001325
Energy: 0.4857736601548377
Energy: 0.7494149940900274
Energy: 0.48577366015711576
Energy: 0.48589194154671483
Energy: 0.48530656747229284
Energy: 0.7526353656295587
Energy: 0.48530656747001477
Energy: 0.4852732832374784
Energy: 0.4858186200487881
Energy: 0.685745079090915
Energy: 0.4858186200487881
Energy: 0.6397993675018289
Energy: 0.48552567423887155
Energy: 0.8132389270742321
Energy: 0.48552567423716303
Energy: 0.5589609859134753
Energy: 0.5115278692733584
Energy: 0.6374477320572536
Energy: 0.5115278692722194
Energy: 0.6366265548467064
Energy: 0.5133061944329912
Energy: 0.6319501916528627
Energy: 0.5133061944341302
Energy: 0.75041379380531
Energy: 0.4858130323450148
Energy: 0.5352356592784923
Energy: 0.4858130323450148
Energy: 0.7499602691047159
Energy: 0.48609841714450897
Energy: 0.48565326885325827
Energy: 0.4860984171462175
Energy: 0.709388917490455
Energy: 0.4855297360702189
Energy: 0.4860999671440456
Energy: 0.48552973606794086
Energy: 0.8124099785396309
Energy: 0.4857320098773224
Energy: 0.49020023329101375
Energy: 0.4857320098778919

minimum gb energy = 0.48501399473259366 eV
minimum distance =  2.54598416250651 Angstroms
sigma value = 37


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

Energy: 0.7860966260851266
Energy: 0.4561783821478199
Energy: 0.6033052705266829
Energy: 0.4722509462820122
Energy: 0.657777674524065
Energy: 0.4554782428721638
Energy: 0.5552716008611507
Energy: 0.45547824287118405
Energy: 0.690662037526484
Energy: 0.4551783113583576
Energy: 0.55575182379061
Energy: 0.4551783113583576
Energy: 0.6908495949133459
Energy: 0.49649063719885284
Energy: 0.54746076235276
Energy: 0.49649063719885284
Energy: 0.5651907892292549
Energy: 0.4986267613515865
Energy: 0.6086599257502048
Energy: 0.4986267613515865
Energy: 0.5039274853038296
Energy: 0.4517258927303494
Energy: 0.7556573175119433
Energy: 0.4517258927303494
Energy: 0.5073116076444057
Energy: 0.4517017811234401
Energy: 0.6269190984870702
Energy: 0.4517017811234401
Energy: 0.509683924853732
Energy: 0.4409170518065219
Energy: 0.8041233175711482
Energy: 0.4409170518065219
Energy: 0.49891649666439875
Energy: 0.4411345299063241
Energy: 0.8042505966023316
Energy: 0.4411345299063241
Energy: 0.49687200821934435
Energy: 0.44110348998362453
Energy: 0.7445666543306784
Energy: 0.4411034899826447
Energy: 0.49812242277628316
Energy: 0.4982723409487444
Energy: 0.6980885860343814
Energy: 0.4982723409497242
Energy: 0.589973818968227
Energy: 0.44094635505162794
Energy: 0.6274411913450394
Energy: 0.44094635505162794
Energy: 0.589318329307167
Energy: 0.4406039437600162
Energy: 0.6905460626314855
Energy: 0.4406039437600162
Energy: 0.5900381108468251
Energy: 0.4811775212025961
Energy: 0.6905959389841196
Energy: 0.4811775212025961
Energy: 0.6086599257502048
Energy: 0.4811769096609452
Energy: 0.5408670782421467
Energy: 0.4811769096599653
Energy: 0.7718277834304207
Energy: 0.4805064787461015
Energy: 0.5031007739934737
Energy: 0.4805064787451216
Energy: 0.6586038873743937
Energy: 0.45535443719325047
Energy: 0.5073450750873807
Energy: 0.45535443719227064
Energy: 0.8041233175711482
Energy: 0.4558210151840895
Energy: 0.4658089560033709
Energy: 0.45582101518506934
Energy: 0.8042505966023316
Energy: 0.45573165447657515
Energy: 0.4554881661682055
Energy: 0.45573165447657515
Energy: 0.805722537183073
Energy: 0.4558488944084021
Energy: 0.4559000726625005
Energy: 0.4558488944084021

minimum gb energy = 0.4406039437600162 eV
minimum distance =  2.54315433397008 Angstroms
sigma value = 25


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

Energy: 0.8563216755281586
Energy: 0.40118948123454684
Energy: 0.5575002768689933
Energy: 0.4096930640606303
Energy: 0.7618075105916543
Energy: 0.4005019028087583
Energy: 0.47446219112245014
Energy: 0.40050190280952336
Energy: 0.7594712532229398
Energy: 0.39978070581062825
Energy: 0.4776635068567424
Energy: 0.39978070581062825
Energy: 0.5953920942561777
Energy: 0.40035372680423464
Energy: 0.4741588052833987
Energy: 0.40035372680270453
Energy: 0.656293102973326
Energy: 0.5259437719212071
Energy: 0.6569289560439
Energy: 0.5259437719212071
Energy: 0.5490646799508866
Energy: 0.4310612487276178
Energy: 0.6589921984085793
Energy: 0.4310612487276178
Energy: 0.5523265504577527
Energy: 0.525934834230891
Energy: 0.6572449776237167
Energy: 0.525934834230891
Energy: 0.4742686720484079
Energy: 0.4001399113696894
Energy: 0.72635046719192
Energy: 0.4001399113696894
Energy: 0.4775894598859538
Energy: 0.3999093210480775
Energy: 0.8436264338165825
Energy: 0.3999093210480775
Energy: 0.47803868245707465
Energy: 0.40038200534080554
Energy: 0.7638809080749083
Energy: 0.4003820053415706
Energy: 0.40057420081829276
Energy: 0.4002822789420635
Energy: 0.7251094171789605
Energy: 0.40028227894512386
Energy: 0.40344547012878473
Energy: 0.40041845430158834
Energy: 0.7636992625007962
Energy: 0.40041845430158834
Energy: 0.401224741979556
Energy: 0.39980986908711597
Energy: 0.8415467235436503
Energy: 0.39980986908711597
Energy: 0.4149972505742424
Energy: 0.40043579965658344
Energy: 0.8554029550786268
Energy: 0.40043579965581844
Energy: 0.477817557289502
Energy: 0.39978453403689446
Energy: 0.7623860768170869
Energy: 0.39978453403689446
Energy: 0.47867430815037426
Energy: 0.39988755479558513
Energy: 0.7594789975024299
Energy: 0.39988755479558513
Energy: 0.4740867650237295
Energy: 0.5253179996150268
Energy: 0.7590113877523776
Energy: 0.5253179996150268
Energy: 0.4982963714893498
Energy: 0.4340152713528267
Energy: 0.658768827949585
Energy: 0.4340152713520615
Energy: 0.65758410696647
Energy: 0.5255204316079432
Energy: 0.5515347616885558
Energy: 0.5255204316079432
Energy: 0.6571829811513732
Energy: 0.5260081470903607
Energy: 0.5494857247132561
Energy: 0.5260081470903607
Energy: 0.7259753806949815
Energy: 0.40007040854886355
Energy: 0.4764435738876537
Energy: 0.40007040854886355
Energy: 0.8437400381343676
Energy: 0.39960971520546484
Energy: 0.40074382807636777
Energy: 0.39960971520546484
Energy: 0.8421159656255957
Energy: 0.40023858360963616
Energy: 0.47429265487009425
Energy: 0.4002385836088711
Energy: 0.7260473856599408
Energy: 0.40027728158086956
Energy: 0.4012263708904767
Energy: 0.4002772815816346
Energy: 0.7627027120946039
Energy: 0.40022039637818546
Energy: 0.4004841020828188
Energy: 0.40022039637818546
Energy: 0.7582003699614236
Energy: 0.40002760590605646
Energy: 0.40052458944455605
Energy: 0.40002760590605646

minimum gb energy = 0.39960971520546484 eV
minimum distance =  2.55702630094804 Angstroms
sigma value = 41


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

Energy: 0.956534405399935
Energy: 0.36671677834840427
Energy: 0.5304921292302273
Energy: 0.37841694212887295
Energy: 0.8318437795032992
Energy: 0.36628863016888735
Energy: 0.42681234103278537
Energy: 0.36628863016826
Energy: 0.828001861428473
Energy: 0.36580773801899097
Energy: 0.42919207423474826
Energy: 0.36580773801899097
Energy: 0.6774803531391028
Energy: 0.3664539346604567
Energy: 0.42594642448665726
Energy: 0.3664539346604567
Energy: 0.7590231661309523
Energy: 0.4762647111116747
Energy: 0.5879438075976963
Energy: 0.4762647111116747
Energy: 0.6814525867071435
Energy: 0.4817856913541286
Energy: 0.5844191436441266
Energy: 0.4817856913541286
Energy: 0.6780542700685561
Energy: 0.5809615334251019
Energy: 0.5846310345853796
Energy: 0.5809615334251019
Energy: 0.5864225319812123
Energy: 0.4820094880222407
Energy: 0.6272975078421759
Energy: 0.4820094880222407
Energy: 0.48788825108074685
Energy: 0.47759855928886497
Energy: 0.7572813832057994
Energy: 0.47759855928886497
Energy: 0.48752708001053574
Energy: 0.4764062366258816
Energy: 0.7545100479501842
Energy: 0.4764062366258816
Energy: 0.4273302329574316
Energy: 0.3662935929385285
Energy: 0.8454658164249871
Energy: 0.3662935929391558
Energy: 0.4286219456136988
Energy: 0.36578260262985834
Energy: 0.900274786777075
Energy: 0.36578260262923107
Energy: 0.4269410355016275
Energy: 0.36672292412321156
Energy: 0.8959786850438088
Energy: 0.36672292412321156
Energy: 0.36681343508859393
Energy: 0.3666279149628773
Energy: 0.7523359344462776
Energy: 0.36662791496350455
Energy: 0.36752082106314155
Energy: 0.3665959811481564
Energy: 0.8303518959083702
Energy: 0.36659598114878367
Energy: 0.3716275305073129
Energy: 0.36680656634836684
Energy: 0.8265095215976414
Energy: 0.3668065663489941
Energy: 0.4343171267743168
Energy: 0.367005860528209
Energy: 0.8264488137263265
Energy: 0.36700586052883627
Energy: 0.44421413733201276
Energy: 0.3657042271723364
Energy: 0.829336840485858
Energy: 0.3657042271729637
Energy: 0.4282723899411925
Energy: 0.3659876650623615
Energy: 0.6835245009292852
Energy: 0.3659876650629888
Energy: 0.5856683039556448
Energy: 0.47594166304315905
Energy: 0.6819237242257875
Energy: 0.47594166304315905
Energy: 0.6283302807912363
Energy: 0.4761406901166153
Energy: 0.755346246861007
Energy: 0.4761406901166153
Energy: 0.5863928215800043
Energy: 0.583179410013911
Energy: 0.67821338869429
Energy: 0.583179410013911
Energy: 0.7572825117902817
Energy: 0.5790565264897172
Energy: 0.679458247902918
Energy: 0.5790565264897172
Energy: 0.5909084067920588
Energy: 0.48176698049924344
Energy: 0.5857959326634841
Energy: 0.48176698049924344
Energy: 0.7551863873099627
Energy: 0.47683425304223276
Energy: 0.5217657436999471
Energy: 0.4768342530434873
Energy: 0.753787280970559
Energy: 0.4761959574663336
Energy: 0.5842270125124864
Energy: 0.4761959574669608
Energy: 0.7531873498956172
Energy: 0.4754204259803122
Energy: 0.4282222527380458
Energy: 0.4754204259803122
Energy: 0.8283407768865365
Energy: 0.36725253820223375
Energy: 0.43158889485427104
Energy: 0.3672525382016065
Energy: 0.7531642518665037
Energy: 0.3666281442924229
Energy: 0.4283603770337539
Energy: 0.36662814429116847
Energy: 0.7529329709992475
Energy: 0.36672999722848776
Energy: 0.36702185666731185
Energy: 0.3667299972272332
Energy: 0.8288782334159293
Energy: 0.3662493929249389
Energy: 0.36742927383813473
Energy: 0.3662493929255662
Energy: 0.8263024088089884
Energy: 0.3675221435602786
Energy: 0.36712803820691586
Energy: 0.36752214355965135

minimum gb energy = 0.3657042271723364 eV
minimum distance =  2.55750482112687 Angstroms
sigma value = 15


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

Energy: 0.8330783993868375
Energy: 0.3415037444265721
Energy: 0.5085618434174889
Energy: 0.3547148504406666
Energy: 0.8808713672995205
Energy: 0.3389549183100139
Energy: 0.39002925722295856
Energy: 0.33895491830948254
Energy: 0.8805356968948822
Energy: 0.34047858099126715
Energy: 0.39300817876767963
Energy: 0.3404785809923299
Energy: 0.7493004568730718
Energy: 0.3407803311130282
Energy: 0.39062978926128833
Energy: 0.34078033111355954
Energy: 0.8177019649025704
Energy: 0.43719241378151397
Energy: 0.5288610421816317
Energy: 0.43719241378098256
Energy: 0.7553677524821386
Energy: 0.3402056800536591
Energy: 0.5259113524146237
Energy: 0.3402056800233706
Energy: 0.6135296638206436
Energy: 0.5388278256362291
Energy: 0.5264014987841183
Energy: 0.5388278256356978
Energy: 0.6857676137860153
Energy: 0.5303360560261416
Energy: 0.5310135882087283
Energy: 0.5303360560261416
Energy: 0.6125198774005096
Energy: 0.53694489010467
Energy: 0.6808427409619939
Energy: 0.53694489010467
Energy: 0.6105939601950001
Energy: 0.5353029661342532
Energy: 0.681164162729834
Energy: 0.5353029661337219
Energy: 0.5312078313924518
Energy: 0.34143962367833525
Energy: 0.7390704045659511
Energy: 0.34143962369374514
Energy: 0.44252305279651105
Energy: 0.43699272528671995
Energy: 0.8136791852560544
Energy: 0.43699272528565725
Energy: 0.527380162442137
Energy: 0.43626271761829355
Energy: 0.8165486660411485
Energy: 0.4362627176177622
Energy: 0.3980248569317089
Energy: 0.3406490074630535
Energy: 0.6893592552487297
Energy: 0.3406490074646476
Energy: 0.40495926580681063
Energy: 0.3400542992321492
Energy: 0.8744338514751702
Energy: 0.34005429923161784
Energy: 0.39495944822947027
Energy: 0.3395530350656507
Energy: 0.817299099491778
Energy: 0.33955303506511936
Energy: 0.3459607694466942
Energy: 0.3396187222074604
Energy: 0.811076924141053
Energy: 0.3396187222063977
Energy: 0.3392510919193136
Energy: 0.33962273076588834
Energy: 0.8751275867341946
Energy: 0.33962273076588834
Energy: 0.3460612344799609
Energy: 0.3402124030705304
Energy: 0.7569374526222324
Energy: 0.340212403069999
Energy: 0.39607368160294226
Energy: 0.33960317467113704
Energy: 0.872767968138129
Energy: 0.3396031746706057
Energy: 0.40350385414206263
Energy: 0.34070497522388393
Energy: 0.8749687512470266
Energy: 0.3407049752222898
Energy: 0.3981308538302355
Energy: 0.34007816752049014
Energy: 0.7492005705460137
Energy: 0.3400781675242098
Energy: 0.5264657932473243
Energy: 0.3407302447943031
Energy: 0.7524315431135946
Energy: 0.3407302448001482
Energy: 0.5303825067005349
Energy: 0.4374047977228475
Energy: 0.8140050702054166
Energy: 0.43740479772444163
Energy: 0.5336723498676352
Energy: 0.44600879125455517
Energy: 0.6452147955271161
Energy: 0.44600879125721204
Energy: 0.6834849284369036
Energy: 0.5349892020644061
Energy: 0.7559823076167264
Energy: 0.5349892020654688
Energy: 0.5274557472960143
Energy: 0.5364740581650937
Energy: 0.6816392835438164
Energy: 0.5364740581661565
Energy: 0.6867087668563618
Energy: 0.5307720230256499
Energy: 0.6452781959712687
Energy: 0.5307720230256499
Energy: 0.6856726497672825
Energy: 0.5380469232371551
Energy: 0.6184614964810818
Energy: 0.5380469232366236
Energy: 0.6829799361108502
Energy: 0.44801768147015364
Energy: 0.5276074590550222
Energy: 0.4480176814696223
Energy: 0.8161903498745409
Energy: 0.43660983273795445
Energy: 0.4423238919822698
Energy: 0.43660983273742304
Energy: 0.6875313843259805
Energy: 0.34096149232190265
Energy: 0.45695683408583276
Energy: 0.34096149232349676
Energy: 0.8168873775731781
Energy: 0.33909005490395777
Energy: 0.39334593361335407
Energy: 0.33909005490502053
Energy: 0.8797338303047466
Energy: 0.3390085974636604
Energy: 0.3932465754895304
Energy: 0.339008597463129
Energy: 0.9277134925626658
Energy: 0.33945705507417034
Energy: 0.34938285851941586
Energy: 0.33945705507417034
Energy: 0.8806972341804401
Energy: 0.33977634549344066
Energy: 0.34049360719737787
Energy: 0.3397763454929093
Energy: 0.8787284164585062
Energy: 0.3399767829670566
Energy: 0.3416345349704431
Energy: 0.3399767829681193

minimum gb energy = 0.33895491830948254 eV
minimum distance =  2.55553232404884 Angstroms
sigma value = 85


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

Energy: 0.8947279736293469
Energy: 0.30619817645881625
Energy: 0.3061031487983607
Energy: 0.31488013439804413
Energy: 0.8441635421366755
Energy: 0.305358088559508
Energy: 0.34966103565655193
Energy: 0.305358088559508
Energy: 0.7873777018156021
Energy: 0.3053716565301114
Energy: 0.35291727963695585
Energy: 0.3053716565301114
Energy: 0.7289733241659311
Energy: 0.3055585000990266
Energy: 0.35107190676370564
Energy: 0.30555850010040914
Energy: 0.8441444405165397
Energy: 0.39134635759144387
Energy: 0.46968110226141707
Energy: 0.3913463575919047
Energy: 0.6709996702191736
Energy: 0.3053327859527175
Energy: 0.4692944359895738
Energy: 0.3053327859531783
Energy: 0.6709282977821942
Energy: 0.4055289256813084
Energy: 0.6011130856839546
Energy: 0.40552892568176924
Energy: 0.7315856156428954
Energy: 0.4821094850271381
Energy: 0.4686546873859011
Energy: 0.4821094850271381
Energy: 0.6712133475325778
Energy: 0.4939637980997144
Energy: 0.6088059584562165
Energy: 0.4939637980997144
Energy: 0.6713988487333105
Energy: 0.4922757767771111
Energy: 0.6800156237646925
Energy: 0.4922757767771111
Energy: 0.6087408821491066
Energy: 0.48478339447469737
Energy: 0.6493886820274327
Energy: 0.48478339447469737
Energy: 0.5454457788595326
Energy: 0.4054169798211819
Energy: 0.731210658155005
Energy: 0.40541697982072095
Energy: 0.6083058407849304
Energy: 0.4824617578692706
Energy: 0.7318640576115414
Energy: 0.4824617578692706
Energy: 0.46871981543110214
Energy: 0.40542075660800186
Energy: 0.6068269580197774
Energy: 0.405420756607541
Energy: 0.4171293208164117
Energy: 0.39168854311622453
Energy: 0.8441181973439619
Energy: 0.3916885431166854
Energy: 0.4692830669346289
Energy: 0.39159050051358685
Energy: 0.7291850189563814
Energy: 0.391590500513126
Energy: 0.3498504101425737
Energy: 0.3062823729709095
Energy: 0.72904612625205
Energy: 0.3062823729709095
Energy: 0.36081140444362436
Energy: 0.30693834484448485
Energy: 0.8980951787599083
Energy: 0.30693834484448485
Energy: 0.35110695763279104
Energy: 0.30538295889217654
Energy: 0.8412548117708258
Energy: 0.30538295889261646
Energy: 0.30692086103053695
Energy: 0.3057624797701289
Energy: 0.8410503595492426
Energy: 0.3057624797701289
Energy: 0.3060617750991185
Energy: 0.3056443432706891
Energy: 0.8987590100859568
Energy: 0.30564434327022827
Energy: 0.3055347667569071
Energy: 0.30537895183456776
Energy: 0.7866491570521712
Energy: 0.30537895183456776
Energy: 0.3496236116729296
Energy: 0.30565932924058353
Energy: 0.8949842246084064
Energy: 0.30565932924104433
Energy: 0.3510042536656422
Energy: 0.30542635938351165
Energy: 0.8981891550171588
Energy: 0.30542635938258994
Energy: 0.352757308196518
Energy: 0.30569784182153165
Energy: 0.7287701529794163
Energy: 0.30569784182153165
Energy: 0.4690480509667953
Energy: 0.3914592553564997
Energy: 0.8436899634373045
Energy: 0.3914592553560389
Energy: 0.4691307233528602
Energy: 0.3916541044460828
Energy: 0.7904827912560974
Energy: 0.3916541044460828
Energy: 0.46934819498531843
Energy: 0.30643495585422476
Energy: 0.729620274055312
Energy: 0.3064349558556073
Energy: 0.6089585987575215
Energy: 0.48229760254340903
Energy: 0.7315361216795978
Energy: 0.48229760254340903
Energy: 0.6094158857331484
Energy: 0.4847130261454989
Energy: 0.6726404033764517
Energy: 0.4847130261454989
Energy: 0.6087860798675172
Energy: 0.4914324834303232
Energy: 0.5454994163047173
Energy: 0.4914324834298623
Energy: 0.607703065990922
Energy: 0.49133756251294775
Energy: 0.608815227448862
Energy: 0.49133756251294775
Energy: 0.7326582842055981
Energy: 0.4054285486259184
Energy: 0.542586480683113
Energy: 0.40542854862730093
Energy: 0.731712594830557
Energy: 0.4823426096828256
Energy: 0.5430347307813661
Energy: 0.4823426096828256
Energy: 0.6485821602036282
Energy: 0.30629601647586074
Energy: 0.46881216873843967
Energy: 0.3062960164744781
Energy: 0.8437230469460534
Energy: 0.39179643936395486
Energy: 0.46947255754784556
Energy: 0.39179643936257225
Energy: 0.8422379980505703
Energy: 0.39141379492537953
Energy: 0.4689972305225155
Energy: 0.39141379492537953
Energy: 0.7290796249170247
Energy: 0.3055082878971093
Energy: 0.34991561520629366
Energy: 0.3055082878971093
Energy: 0.9000957119339301
Energy: 0.3052557251813815
Energy: 0.3512343747279679
Energy: 0.3052557251813815
Energy: 0.8411710396159636
Energy: 0.30549708188478
Energy: 0.349655453008975
Energy: 0.30549708188478
Energy: 0.7289463451660649
Energy: 0.3056042868899061
Energy: 0.3063231897402093
Energy: 0.305604286890367
Energy: 0.8986595738423298
Energy: 0.3055826171064862
Energy: 0.30587911985500527
Energy: 0.3055826171064862
Energy: 0.7864259488741118
Energy: 0.30550606300530686
Energy: 0.3089051176091396
Energy: 0.30550606300530686

minimum gb energy = 0.3052557251813815 eV
minimum distance =  2.56563493345005 Angstroms
sigma value = 113


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

Energy: 0.011713306561569383
Energy: 0.23912071415395342
Energy: 0.6957608663973831
Energy: 0.01358977863723614
Energy: 0.5236467114880832
Energy: 0.06347452644578767
Energy: 0.5230743671948032
Energy: 0.06347452644578767
Energy: 0.012727102232745076
Energy: 0.06206731225039363
Energy: 0.5211291666687913
Energy: 0.06206731225039363
Energy: 0.013135527432500526
Energy: 0.061529216272612375
Energy: 0.5210669713961706
Energy: 0.061529216272612375
Energy: 0.5208837120875253
Energy: 0.06149750257452787
Energy: 0.5207355972628449
Energy: 0.061497502574193265
Energy: 0.01213953414723447
Energy: 0.06184584122882772
Energy: 0.5210680872436813
Energy: 0.06184584122882772

minimum gb energy = 0.011713306561569383 eV
minimum distance =  2.82305298505323 Angstroms
sigma value = 1