Model name: model_name=EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_003
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=4.032082758843899
cohesive_energy=3.360264281693947
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=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28593319442548e-19, 5.236137544640759e-19, 5.16991958435754e-19, 9.2148388016193e-20, 8.384046129824938e-20, 7.2641887497243e-20, 5.7724020858069e-20, 3.7986486468496195e-20, 1.2065143077037979e-20, -2.18294964205866e-20, -6.538098320961839e-20, -1.19894081875488e-19, -1.8879729019729198e-19, -2.7643955643036e-19, -3.8764823877293396e-19, -5.27726541883554e-19, -7.028220175068779e-19, -9.24422272108686e-19, -1.210021472355624e-18, -1.5696172004438519e-18, -1.999516439232e-18, -2.48407874041896e-18, -3.0525310101621597e-18, -3.7580655127103996e-18, -4.7533376377511996e-18, -6.454993418956259e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010417840876810807
Energy: 0.05604469835010399
Energy: 0.3373357944734989
Energy: 0.05604469835209265
Energy: 0.05604469835111233
Energy: 0.411550073335675
Energy: 0.05604469834962784
Energy: 0.41155007333519883
Energy: 0.3373357944734989
Energy: 0.05604469835111233
Energy: 0.010417840876810807
Energy: 0.056044698353072984
Energy: 0.056044698351588484
Energy: 0.41155007333519883
Energy: 0.05604469835256881
Energy: 0.41155007333519883

minimum gb energy = 0.010417840876810807 eV
minimum distance =  2.80735886485735 Angstroms
sigma value = 1


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

Energy: 0.6718270769224941
Energy: 0.5103942932420434
Energy: 0.5118928722479983
Energy: 0.5103942932420434
Energy: 0.4691533098369768
Energy: 0.508039210278488
Energy: 0.46888097128642664
Energy: 0.508039210278488
Energy: 0.510557120025563
Energy: 0.5103057630466813
Energy: 0.7317190252872405
Energy: 0.5103057630472928
Energy: 0.46996867001718645
Energy: 0.46921860532457943
Energy: 0.4695484348681228
Energy: 0.46921860532457943
Energy: 0.6246517620643575
Energy: 0.4697512112842723
Energy: 0.4713717388147012
Energy: 0.46975121128488373
Energy: 0.49036313039646023
Energy: 0.47743101054996423
Energy: 0.47687182227461716
Energy: 0.4774310105517708
Energy: 0.4929827977755694
Energy: 0.4951216829542492
Energy: 0.48385771946070133
Energy: 0.49512168295363773
Energy: 0.4870349939684557
Energy: 0.5012643645411203
Energy: 0.5020162378754885
Energy: 0.5012643645405089
Energy: 0.5045253869842408
Energy: 0.5082319646398802
Energy: 0.5079389923154733
Energy: 0.5082319646404917
Energy: 0.4979405584199382
Energy: 0.5063849811361287
Energy: 0.485803388547671
Energy: 0.5063849811355173
Energy: 0.4833663303271882
Energy: 0.5078992990341575
Energy: 0.5417280436073327
Energy: 0.5078992990341575
Energy: 0.4883677646592569
Energy: 0.5081146041486863
Energy: 0.5000290822931042
Energy: 0.5081146041486863
Energy: 0.4914482326964556
Energy: 0.4948864296895974
Energy: 0.48188568203015875
Energy: 0.4948864296883745
Energy: 0.4909536223052583
Energy: 0.4936385482777479
Energy: 0.49001258086315563
Energy: 0.49363854827652504
Energy: 0.4814950100435352
Energy: 0.46880255763782436
Energy: 0.46911137206776127
Energy: 0.46880255763843576
Energy: 0.4830535827718457
Energy: 0.4694622771200044
Energy: 0.46919118766315293
Energy: 0.4694622771200044
Energy: 0.5113427847106716
Energy: 0.5105217157490669
Energy: 0.47099205087097823
Energy: 0.5105217157496783
Energy: 0.46927513409424465
Energy: 0.47132164425234424
Energy: 0.4754670163686592
Energy: 0.4713216442517328
Energy: 0.4775060876625822
Energy: 0.5103659124344212
Energy: 0.5121364203183201
Energy: 0.5103659124338098
Energy: 0.4903728072291528
Energy: 0.47154449334068516
Energy: 0.4719896575183001
Energy: 0.47154449334068516
Energy: 0.4707995057407597
Energy: 0.47000360759108
Energy: 0.4833502871410969
Energy: 0.47000360759169146
Energy: 0.47631183519750014
Energy: 0.47057498075120907
Energy: 0.4900469794494105
Energy: 0.47057498075120907
Energy: 0.4837250085343115
Energy: 0.49534607435189215
Energy: 0.49442293716694635
Energy: 0.4953460743525036
Energy: 0.4993839313451817
Energy: 0.49428783739058774
Energy: 0.48544162447159067
Energy: 0.49428783738997634
Energy: 0.505473909996599
Energy: 0.5094602041272672
Energy: 0.5047596315243192
Energy: 0.5094602041266558
Energy: 0.48661528263753795
Energy: 0.5077062646982907
Energy: 0.4990934346203577
Energy: 0.5077062646958449
Energy: 0.5435113783783603
Energy: 0.5090060536132569
Energy: 0.4835767088050881
Energy: 0.5090060536114225
Energy: 0.4987723239531597
Energy: 0.5076474483540492
Energy: 0.485919503263849
Energy: 0.5076474483546605
Energy: 0.48194261811024475
Energy: 0.4949657970087223
Energy: 0.49153670637704855
Energy: 0.4949657970087223
Energy: 0.48999858480513975
Energy: 0.4953375042802209
Energy: 0.4916017121223431
Energy: 0.49533750428083234
Energy: 0.46912139634843464
Energy: 0.46909196358598365
Energy: 0.48152739907653286
Energy: 0.4690919635865951
Energy: 0.4690257059007338
Energy: 0.46916787380208763
Energy: 0.4829002037577654
Energy: 0.46916787380208763
Energy: 0.470885764151045
Energy: 0.5106731385048363
Energy: 0.5121447716858405
Energy: 0.5106731385042249

minimum gb energy = 0.46880255763782436 eV
minimum distance =  2.58993955691128 Angstroms
sigma value = 1


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

Energy: 0.767242276705759
Energy: 0.5298198989420836
Energy: 0.5295020387378412
Energy: 0.5298198989358092
Energy: 0.4838440552510023
Energy: 0.5246922665205301
Energy: 0.4838020045917412
Energy: 0.5246922665177416
Energy: 0.52993858727256
Energy: 0.5294531392781018
Energy: 0.7016613707717754
Energy: 0.5294531392815875
Energy: 0.4861970027460102
Energy: 0.5390867697960375
Energy: 0.48380061573595184
Energy: 0.5390867697897632
Energy: 0.4952489267982053
Energy: 0.48392869891166324
Energy: 0.4844593521269134
Energy: 0.4839286989137547
Energy: 0.5081258056264262
Energy: 0.48444373093356263
Energy: 0.49356310980483475
Energy: 0.48444373092868254
Energy: 0.5167427080761668
Energy: 0.5176397740482558
Energy: 0.5317607449489344
Energy: 0.5176397740475586
Energy: 0.5035195198285017
Energy: 0.5248935647455689
Energy: 0.5167364559426082
Energy: 0.5248935647441745
Energy: 0.5332379262767107
Energy: 0.5337963812781855
Energy: 0.5417740862621147
Energy: 0.5337963812746996
Energy: 0.5173755315990146
Energy: 0.535736521314654
Energy: 0.5036511839148864
Energy: 0.535736521314654
Energy: 0.500397159108119
Energy: 0.5161409212343251
Energy: 0.5168054120191643
Energy: 0.5161409212357193
Energy: 0.5119559026580492
Energy: 0.5179922077671852
Energy: 0.5083772877346902
Energy: 0.5179922077678825
Energy: 0.4845530742663505
Energy: 0.48385409147351566
Energy: 0.49992829130119415
Energy: 0.4838540914714242
Energy: 0.4836502156846085
Energy: 0.4838356060996294
Energy: 0.49832078794901175
Energy: 0.4838356061017208
Energy: 0.477757427566862
Energy: 0.5298105987272899
Energy: 0.5292514734781446
Energy: 0.529810598727987
Energy: 0.4891046145503568
Energy: 0.48614007362354467
Energy: 0.4839971867823069
Energy: 0.4861400736263334
Energy: 0.5316238528283076
Energy: 0.5293238529807271
Energy: 0.49454156711800984
Energy: 0.5293238529814243
Energy: 0.48648254633554383
Energy: 0.4861110625234811
Energy: 0.5083941404124082
Energy: 0.4861110625255725
Energy: 0.49461617862615714
Energy: 0.48391303422110116
Energy: 0.4855724116906844
Energy: 0.4839130342238898
Energy: 0.5090216248193897
Energy: 0.4841406419505219
Energy: 0.4933299036149782
Energy: 0.4841406419526134
Energy: 0.5180193644061626
Energy: 0.5163670294458622
Energy: 0.5323060589121901
Energy: 0.5163670294486509
Energy: 0.5032928209520239
Energy: 0.5161639270289049
Energy: 0.5176111975040708
Energy: 0.5161639270344821
Energy: 0.5331572973467213
Energy: 0.5331046366497721
Energy: 0.5424022146535499
Energy: 0.5331046366476807
Energy: 0.5174078507328351
Energy: 0.5334681125999537
Energy: 0.5037565055276285
Energy: 0.5334681125978622
Energy: 0.5004678176913089
Energy: 0.516054071219498
Energy: 0.5167082300713205
Energy: 0.516054071219498
Energy: 0.5076195394186501
Energy: 0.5170723432031021
Energy: 0.5086183131339096
Energy: 0.517072343198222
Energy: 0.4839452535538606
Energy: 0.4839248392670717
Energy: 0.4998227614580358
Energy: 0.48392483926498014
Energy: 0.4848583415324868
Energy: 0.48410556608718874
Energy: 0.49898523499279346
Energy: 0.48410556608788596
Energy: 0.47786232446529386
Energy: 0.5296576653298006
Energy: 0.5291580710709113
Energy: 0.5296576653263149

minimum gb energy = 0.477757427566862 eV
minimum distance =  2.59190583649402 Angstroms
sigma value = 25


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

Energy: 0.7302895911382964
Energy: 0.5486395178212149
Energy: 0.5480758750567453
Energy: 0.5486395178212149
Energy: 0.499044828990949
Energy: 0.540170830145967
Energy: 0.4991348888863657
Energy: 0.540170830145967
Energy: 0.548252557411548
Energy: 0.5486440508315245
Energy: 0.6608554300980312
Energy: 0.5486440508315245
Energy: 0.5026872201314296
Energy: 0.5571381168363464
Energy: 0.49953036220616065
Energy: 0.557138116835536
Energy: 0.5075575158106062
Energy: 0.4990244855356825
Energy: 0.5001718383733471
Energy: 0.4990244855364929
Energy: 0.5309655563320766
Energy: 0.5004403995563443
Energy: 0.5084667687438909
Energy: 0.5004403995563443
Energy: 0.5496714111971759
Energy: 0.5440241970748878
Energy: 0.550689440710181
Energy: 0.5440241970748878
Energy: 0.5224223749489169
Energy: 0.5449226512658214
Energy: 0.5364075906413384
Energy: 0.5449226512658214
Energy: 0.5514533605862174
Energy: 0.5443191035479948
Energy: 0.5886603238722425
Energy: 0.5443191035479948
Energy: 0.5490049208925165
Energy: 0.5460724923834392
Energy: 0.5304514568441878
Energy: 0.5460724923826287
Energy: 0.4888915949598721
Energy: 0.4994482026902245
Energy: 0.5004327026368184
Energy: 0.4994482026902245
Energy: 0.5127154786495575
Energy: 0.4991227907805629
Energy: 0.49907987096405915
Energy: 0.4991227907805629
Energy: 0.5474313193149158
Energy: 0.5485658102731561
Energy: 0.4982407139880346
Energy: 0.548565810272364
Energy: 0.4995604711743065
Energy: 0.5029003440003688
Energy: 0.510138426740316
Energy: 0.5029003440003688
Energy: 0.5124448552765274
Energy: 0.5487229580800617
Energy: 0.5491913459591937
Energy: 0.5487229580800617
Energy: 0.5297032890533782
Energy: 0.5021211357274693
Energy: 0.5025375827623038
Energy: 0.5021211357274693
Energy: 0.5013092307754842
Energy: 0.49959991788747554
Energy: 0.5074399833366167
Energy: 0.49959991788747554
Energy: 0.5000768611396812
Energy: 0.4999948912283096
Energy: 0.5309661915146285
Energy: 0.4999948912291201
Energy: 0.5502682725485839
Energy: 0.5441752451153661
Energy: 0.5247591602639556
Energy: 0.5441752451153661
Energy: 0.537250597701021
Energy: 0.5441717267308407
Energy: 0.5250778018052324
Energy: 0.5441717267308407
Energy: 0.5873878259213743
Energy: 0.544284156043418
Energy: 0.5515273332712085
Energy: 0.5442841560426076
Energy: 0.5208543427603474
Energy: 0.5458249497066023
Energy: 0.5305902107553038
Energy: 0.5458249497066023
Energy: 0.49973602170508624
Energy: 0.4994953615562581
Energy: 0.4886432293825584
Energy: 0.4994953615554476
Energy: 0.49917845910175956
Energy: 0.5028515102422396
Energy: 0.5129344877659061
Energy: 0.5028515102422396
Energy: 0.49873011610426865
Energy: 0.5485253336611899
Energy: 0.5480283381043569
Energy: 0.5485253336611899

minimum gb energy = 0.4886432293825584 eV
minimum distance =  2.58985807275713 Angstroms
sigma value = 9


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

Energy: 0.730288310953143
Energy: 0.5764848562025826
Energy: 0.5769136730179074
Energy: 0.5764848562025826
Energy: 0.5570810401962678
Energy: 0.5643862093177112
Energy: 0.534631533738292
Energy: 0.564386209318678
Energy: 0.5802300207384904
Energy: 0.5791960000300534
Energy: 0.5599930181563814
Energy: 0.5791960000310203
Energy: 0.5521912042458368
Energy: 0.5639929945199439
Energy: 0.5351828834665628
Energy: 0.5639929945199439
Energy: 0.6407554222497247
Energy: 0.5333764947204312
Energy: 0.5340374168325067
Energy: 0.533376494721398
Energy: 0.5910817808591665
Energy: 0.5334730117894001
Energy: 0.5360622682991996
Energy: 0.5334730117894001
Energy: 0.5741262831970003
Energy: 0.5863111591841045
Energy: 0.5553619092114914
Energy: 0.5863111591850713
Energy: 0.5608916497996289
Energy: 0.578235233425187
Energy: 0.5712731263930595
Energy: 0.5782352334271206
Energy: 0.5634013105834934
Energy: 0.5639058885097895
Energy: 0.516208845811824
Energy: 0.5639058885088447
Energy: 0.5804358155328537
Energy: 0.54264768463304
Energy: 0.5164824455558056
Energy: 0.5426476846320735
Energy: 0.49294642320654586
Energy: 0.5038420944564747
Energy: 0.5036268267054653
Energy: 0.5038420944564747
Energy: 0.5804115602331283
Energy: 0.4928184325184116
Energy: 0.5038162821399577
Energy: 0.49281843251744484
Energy: 0.6116977590103093
Energy: 0.6102720070075516
Energy: 0.560217235904747
Energy: 0.6102720070085184
Energy: 0.5692731798085082
Energy: 0.5416517554238448
Energy: 0.5821685227429023
Energy: 0.5416517554238448
Energy: 0.5240260741649935
Energy: 0.5453745273284868
Energy: 0.5355447944579654
Energy: 0.5453745273284868
Energy: 0.590631362771528
Energy: 0.5453138401691812
Energy: 0.5358797627714771
Energy: 0.5453138401672476
Energy: 0.5744817816791766
Energy: 0.5897301396820611
Energy: 0.5534107662719229
Energy: 0.5897301396820611
Energy: 0.564230521237842
Energy: 0.5904692528642788
Energy: 0.5846687929944069
Energy: 0.590469252863312
Energy: 0.5311657513306772
Energy: 0.5306720060012022
Energy: 0.5164197516467838
Energy: 0.5306720060031358
Energy: 0.5568840625759627
Energy: 0.5356727979199065
Energy: 0.5173109179342875
Energy: 0.5356727979208734
Energy: 0.5268448623284858
Energy: 0.5764086806151
Energy: 0.5771247660373364
Energy: 0.5764086806151

minimum gb energy = 0.49281843251744484 eV
minimum distance =  2.57312285731516 Angstroms
sigma value = 25


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

Energy: 0.5946600229114345
Energy: 0.5819032501534952
Energy: 0.5831395853818427
Energy: 0.5819032501534952
Energy: 0.5605191663720586
Energy: 0.5397611934877415
Energy: 0.5602930362598351
Energy: 0.5397611934865459
Energy: 0.5819959974274499
Energy: 0.5819148579981293
Energy: 0.6137998239168277
Energy: 0.5819148579993249
Energy: 0.5540445613662471
Energy: 0.5392270669034268
Energy: 0.5603773479394867
Energy: 0.5392270669034268
Energy: 0.5448428279080697
Energy: 0.5773958630908379
Energy: 0.5482423741862251
Energy: 0.5773958630896422
Energy: 0.6141890371061243
Energy: 0.5468658000088108
Energy: 0.5136941124111657
Energy: 0.5468658000100064
Energy: 0.5960525159740774
Energy: 0.5467555860472734
Energy: 0.5456549245113141
Energy: 0.546755586048469
Energy: 0.5581293755778078
Energy: 0.5771691435088185
Energy: 0.5602713377543714
Energy: 0.5771691435088185
Energy: 0.581908658009268
Energy: 0.5814304188610896
Energy: 0.6098120394446793
Energy: 0.5814304188610896
Energy: 0.5606791524775653
Energy: 0.5530750021626626
Energy: 0.6101086189411901
Energy: 0.5530750021626626
Energy: 0.6144468261055597
Energy: 0.5824466045142215
Energy: 0.5834989836270714
Energy: 0.5824466045142215
Energy: 0.6139739357951688
Energy: 0.5534488548954092
Energy: 0.5539469742055694
Energy: 0.5534488548954092
Energy: 0.5460951578926739
Energy: 0.5783530474540405
Energy: 0.5448919330058624
Energy: 0.578353047452845
Energy: 0.5489018157832811
Energy: 0.5470587200169046
Energy: 0.6156675376546077
Energy: 0.5470587200157089
Energy: 0.5479503387576204
Energy: 0.546882974356486
Energy: 0.5998551030888548
Energy: 0.5468829743576817
Energy: 0.5608048860238019
Energy: 0.5777591395922944
Energy: 0.5978405827095592
Energy: 0.5777591395922944
Energy: 0.610037641641043
Energy: 0.5814870545361338
Energy: 0.583057757422338
Energy: 0.5814870545361338

minimum gb energy = 0.5136941124111657 eV
minimum distance =  2.58882106424398 Angstroms
sigma value = 17


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

Energy: 0.8184794444167566
Energy: 0.6452597818824659
Energy: 0.6464476977786701
Energy: 0.6452597818811114
Energy: 0.5513886633750448
Energy: 0.5355129606301674
Energy: 0.6403032978476658
Energy: 0.5355129606335532
Energy: 0.5525109777802013
Energy: 0.5515228655620331
Energy: 0.668302378610628
Energy: 0.5515228655620331
Energy: 0.5355444090550968
Energy: 0.536526001892624
Energy: 0.6188752694320401
Energy: 0.5365260018933012
Energy: 0.6164457686256148
Energy: 0.5957481434845123
Energy: 0.5720749911546158
Energy: 0.5957481434845123
Energy: 0.6181406109794794
Energy: 0.5946191010492375
Energy: 0.5760542173310099
Energy: 0.5946191010499147
Energy: 0.6589926311598425
Energy: 0.5510395562876941
Energy: 0.5516392336024872
Energy: 0.5510395562876941
Energy: 0.6500992425816684
Energy: 0.536175174661016
Energy: 0.5513369419877014
Energy: 0.5361751746616933
Energy: 0.6475477494670125
Energy: 0.6457374587000875
Energy: 0.6692241230536409
Energy: 0.6457374586967325
Energy: 0.6456920680371229
Energy: 0.6058158375057113
Energy: 0.626118635103568
Energy: 0.6058158375057113
Energy: 0.6156384755223339
Energy: 0.5389668580832971
Energy: 0.5400466863659286
Energy: 0.5389668580832971
Energy: 0.6177002618874894
Energy: 0.5396492435833825
Energy: 0.5396902219214763
Energy: 0.5396492435840596
Energy: 0.6181660627367769
Energy: 0.5389568354918686
Energy: 0.5388885900950258
Energy: 0.5389568354925458
Energy: 0.6586571167615642
Energy: 0.5627848045752977
Energy: 0.5393079502630405
Energy: 0.5627848045746205
Energy: 0.6463152433657964
Energy: 0.6453277651048828
Energy: 0.6495555748696477
Energy: 0.6453277651048828
Energy: 0.6460684369749214
Energy: 0.6454259414126702
Energy: 0.6715100283617864
Energy: 0.6454259414126702
Energy: 0.6684742472094355
Energy: 0.551298179012259
Energy: 0.5514082701735383
Energy: 0.5512981790129362
Energy: 0.6713948568706387
Energy: 0.5513784111400516
Energy: 0.5514868179509107
Energy: 0.5513784111400516
Energy: 0.5774167736873113
Energy: 0.5977815870735511
Energy: 0.6170020594112748
Energy: 0.5977815870742282
Energy: 0.5662763594837387
Energy: 0.5967478145071132
Energy: 0.6165774282564629
Energy: 0.5967478145077904
Energy: 0.5515571063225745
Energy: 0.5362914608379773
Energy: 0.6650225863180942
Energy: 0.5362914608373001
Energy: 0.5512350391743485
Energy: 0.5512877282222272
Energy: 0.6617497519548018
Energy: 0.5512877282235815
Energy: 0.642214975318541
Energy: 0.6058417007740627
Energy: 0.6380406662485476
Energy: 0.60584170077474
Energy: 0.6693528327736
Energy: 0.6448754573605587
Energy: 0.6449921346461207
Energy: 0.6448754573612357
Energy: 0.5406088339203917
Energy: 0.5352142651985772
Energy: 0.6177450633748156
Energy: 0.5352142651979
Energy: 0.539443733852748
Energy: 0.5391807439558154
Energy: 0.6148270030647737
Energy: 0.5391807439551384
Energy: 0.5240741862501936
Energy: 0.5780614771866542
Energy: 0.6520713983255702
Energy: 0.5780614771873314
Energy: 0.5415092891520293
Energy: 0.5391738032809499
Energy: 0.6622023795655169
Energy: 0.5391738032809499
Energy: 0.5388764777707784
Energy: 0.6070425065909247
Energy: 0.5706360219414754
Energy: 0.6070425065902476
Energy: 0.6727315616565216
Energy: 0.64515460827828
Energy: 0.6459825328502764
Energy: 0.645154608277603

minimum gb energy = 0.5240741862501936 eV
minimum distance =  2.56579042748505 Angstroms
sigma value = 53


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

Energy: 0.7340453844728887
Energy: 0.589075445315118
Energy: 0.5939560157493708
Energy: 0.589075445315118
Energy: 0.564724455981905
Energy: 0.5169232310231867
Energy: 0.6095485440857654
Energy: 0.5169232310247455
Energy: 0.5904913423721649
Energy: 0.5912183140747626
Energy: 0.582568207279916
Energy: 0.5912183140747626
Energy: 0.5638209248234428
Energy: 0.5167724555216668
Energy: 0.5770569213724681
Energy: 0.5167724555123135
Energy: 0.5850508810323318
Energy: 0.5163235917085409
Energy: 0.4763030246939692
Energy: 0.5163235917085409
Energy: 0.5627462544761528
Energy: 0.5177232428918704
Energy: 0.4766137492795069
Energy: 0.5177232428934293
Energy: 0.6459247336684479
Energy: 0.5874682079331399
Energy: 0.5902607818965625
Energy: 0.5874682079315809
Energy: 0.6768129732645103
Energy: 0.5638753685441289
Energy: 0.6126417635775758
Energy: 0.56387536854257
Energy: 0.5904923941241376
Energy: 0.5911452332615219
Energy: 0.5825838444937128
Energy: 0.5911452332615219
Energy: 0.5952835627134082
Energy: 0.5640552406915494
Energy: 0.5765055195816676
Energy: 0.5640552406931084
Energy: 0.5853286319403551
Energy: 0.5166874075805622
Energy: 0.47679988241773724
Energy: 0.5166874075774445
Energy: 0.563927474034009
Energy: 0.5163027466489162
Energy: 0.47935130605733284
Energy: 0.5163027466473573
Energy: 0.6773295059056526
Energy: 0.5890842509278046
Energy: 0.5941575561270593
Energy: 0.5890842509278046

minimum gb energy = 0.4763030246939692 eV
minimum distance =  2.59497040136686 Angstroms
sigma value = 9


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

Energy: 0.7155492941595892
Energy: 0.681336533947631
Energy: 0.6801376230397149
Energy: 0.6813365339482079
Energy: 0.5947188205598519
Energy: 0.5398816413916664
Energy: 0.739099859899421
Energy: 0.5398816413922434
Energy: 0.5321037587880931
Energy: 0.5322762211916053
Energy: 0.6526680689227582
Energy: 0.5322762211921824
Energy: 0.5352398939885027
Energy: 0.540687654002135
Energy: 0.692726209097964
Energy: 0.540687654003289
Energy: 0.5335831637539793
Energy: 0.5310964907873793
Energy: 0.6919622215559277
Energy: 0.5310964907879562
Energy: 0.5889187711359848
Energy: 0.531636034770958
Energy: 0.6826107172362659
Energy: 0.5316360347715351
Energy: 0.6816277240304652
Energy: 0.6730526447815974
Energy: 0.6810219357817362
Energy: 0.6730526447804435
Energy: 0.6822986755465451
Energy: 0.6541331373047699
Energy: 0.6747980340626905
Energy: 0.6541331373059238
Energy: 0.5769200473345831
Energy: 0.5924637462824831
Energy: 0.5615249951732239
Energy: 0.5924637462824831
Energy: 0.5172457889249399
Energy: 0.5639067056775764
Energy: 0.6609668908256098
Energy: 0.5639067056775764
Energy: 0.5863614891630549
Energy: 0.57640615787488
Energy: 0.6682238958936106
Energy: 0.576406157874303
Energy: 0.5850251518647026
Energy: 0.5850647929266051
Energy: 0.6958617336703599
Energy: 0.5850647929271819
Energy: 0.68267784960997
Energy: 0.5756943588536262
Energy: 0.6369020800652774
Energy: 0.5756943588547802
Energy: 0.6839305317635701
Energy: 0.5847288583245454
Energy: 0.5875484445236425
Energy: 0.5847288583245454
Energy: 0.6749971585988658
Energy: 0.5631926871543023
Energy: 0.5668496648382831
Energy: 0.5631926871543023
Energy: 0.6044455562829929
Energy: 0.5882036055531663
Energy: 0.5667927842221067
Energy: 0.5882036055525893
Energy: 0.6652342917958085
Energy: 0.591053479183163
Energy: 0.5912918971249436
Energy: 0.591053479183163
Energy: 0.6759943372023542
Energy: 0.6745160083831491
Energy: 0.6977716673221916
Energy: 0.674516008383726
Energy: 0.7383967981291766
Energy: 0.7040124277959638
Energy: 0.6384369137025308
Energy: 0.7040124277953868
Energy: 0.6523425347251907
Energy: 0.5324198421673031
Energy: 0.5320112798337762
Energy: 0.5324198421678802
Energy: 0.6932475338620446
Energy: 0.5405948144592706
Energy: 0.5342286960538531
Energy: 0.5405948144592706
Energy: 0.6901777947742593
Energy: 0.5309887688067823
Energy: 0.5321761843435757
Energy: 0.5309887688079362
Energy: 0.6911423214668212
Energy: 0.5317140973727428
Energy: 0.5322317641907441
Energy: 0.5317140973721657
Energy: 0.6823166484559069
Energy: 0.6728361793029998
Energy: 0.6811270173825087
Energy: 0.6728361793029998
Energy: 0.6746065035629666
Energy: 0.6604808746218874
Energy: 0.6822481898530187
Energy: 0.6604808746213103
Energy: 0.5628185080726734
Energy: 0.6289375915562971
Energy: 0.5781922370069598
Energy: 0.6289375915562971
Energy: 0.6482888645278971
Energy: 0.5631319562917569
Energy: 0.5166990925155317
Energy: 0.5631319562911801
Energy: 0.6682984197983571
Energy: 0.5860678512694492
Energy: 0.5868550540717047
Energy: 0.5860678512688723
Energy: 0.6992723642529561
Energy: 0.5849406280013673
Energy: 0.5850135486127527
Energy: 0.5849406280019441
Energy: 0.6368781392992656
Energy: 0.5878215992673752
Energy: 0.6913157874929865
Energy: 0.5878215992667983
Energy: 0.5880132067810094
Energy: 0.5851593770238599
Energy: 0.6505972477264195
Energy: 0.585159377024437
Energy: 0.5818358815890692
Energy: 0.5829081434401635
Energy: 0.6562176140137869
Energy: 0.5829081434407404
Energy: 0.5658229708160812
Energy: 0.5907365424444382
Energy: 0.6051645983244638
Energy: 0.5907365424444382
Energy: 0.5764337143178251
Energy: 0.5971303134207584
Energy: 0.6173508855449072
Energy: 0.5971303134201813
Energy: 0.6966635583728713
Energy: 0.6737354183101928
Energy: 0.6753947687942118
Energy: 0.6737354183101928

minimum gb energy = 0.5166990925155317 eV
minimum distance =  2.5776949330489 Angstroms
sigma value = 73


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

Energy: 0.7580981813548735
Energy: 0.6531584497906605
Energy: 0.6538518908962621
Energy: 0.6531584497915759
Energy: 0.5812655189299462
Energy: 0.6726820863205158
Energy: 0.6512910422599033
Energy: 0.6726820863205158
Energy: 0.5461927725256976
Energy: 0.5463623098794536
Energy: 0.6281527476680284
Energy: 0.5463623098776228
Energy: 0.546112072520747
Energy: 0.5466648100783098
Energy: 0.6509367974211393
Energy: 0.5466648100792253
Energy: 0.546842242797373
Energy: 0.5470123974756699
Energy: 0.6944321006719423
Energy: 0.5470123974720082
Energy: 0.5965018031600248
Energy: 0.5464600953643923
Energy: 0.6937864501835391
Energy: 0.5464600953643923
Energy: 0.624605427084028
Energy: 0.6503326883507669
Energy: 0.6636929658620644
Energy: 0.6503326883516822
Energy: 0.6247250637341033
Energy: 0.6286890105609867
Energy: 0.650654550894035
Energy: 0.6286890105609867
Energy: 0.5893030632575627
Energy: 0.610489807348536
Energy: 0.6379277171160596
Energy: 0.6104898073494514
Energy: 0.550857675128769
Energy: 0.6235904861414425
Energy: 0.638860069651111
Energy: 0.6235904861396117
Energy: 0.5866997676246052
Energy: 0.5641806177480062
Energy: 0.5544378506580957
Energy: 0.5641806177489216
Energy: 0.5850644159467233
Energy: 0.5875731573797772
Energy: 0.6623800537134539
Energy: 0.587573157378862
Energy: 0.6290976993525461
Energy: 0.5701144601823378
Energy: 0.6167971958199355
Energy: 0.5701144601823378
Energy: 0.6285951181574518
Energy: 0.5833095688616409
Energy: 0.5827358044659718
Energy: 0.5833095688607255
Energy: 0.6540181928227675
Energy: 0.549636816410244
Energy: 0.5546354542986163
Energy: 0.5496368164093285
Energy: 0.6931658445431844
Energy: 0.5569644821816432
Energy: 0.5561666134522559
Energy: 0.5569644821825586
Energy: 0.6876716281809699
Energy: 0.6638040858282899
Energy: 0.5873120094409084
Energy: 0.6638040858282899
Energy: 0.6552413746311813
Energy: 0.6552057951794323
Energy: 0.6255599031720425
Energy: 0.6552057951785171
Energy: 0.6370767094713717
Energy: 0.6276883614133942
Energy: 0.6245763595457886
Energy: 0.6276883614124789
Energy: 0.6023093570185009
Energy: 0.569509801226029
Energy: 0.6102237088175622
Energy: 0.5695098012251135
Energy: 0.6381057954690094
Energy: 0.5902291734825409
Energy: 0.552864238538023
Energy: 0.5902291734816255
Energy: 0.6925340641437511
Energy: 0.6304376576503865
Energy: 0.6401919870134951
Energy: 0.6304376576503865

minimum gb energy = 0.546112072520747 eV
minimum distance =  2.56194147560033 Angstroms
sigma value = 7


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

Energy: 0.8986494558572566
Energy: 0.6671941348892836
Energy: 0.6696346432202324
Energy: 0.6671941348957565
Energy: 0.6541994575190454
Energy: 0.6358402797039935
Energy: 0.6598765575944087
Energy: 0.6358402797033462
Energy: 0.5330282594705863
Energy: 0.5328459876824275
Energy: 0.5817323607674277
Energy: 0.5328459876837222
Energy: 0.5351141114976102
Energy: 0.5327718579453612
Energy: 0.6603149188385855
Energy: 0.5327718579421248
Energy: 0.5694131108520423
Energy: 0.5656682301119897
Energy: 0.6399143686696313
Energy: 0.5656682301132844
Energy: 0.5668356572992568
Energy: 0.5658094844274235
Energy: 0.6410105333892597
Energy: 0.5658094844280709
Energy: 0.6944854745778595
Energy: 0.5811367993322762
Energy: 0.5666568773990259
Energy: 0.581136799329687
Energy: 0.7074445289199159
Energy: 0.5655281829037478
Energy: 0.566358634473616
Energy: 0.5655281829037478
Energy: 0.6962220298120971
Energy: 0.5472560601299835
Energy: 0.5327866867702533
Energy: 0.5472560601267471
Energy: 0.6391876434905218
Energy: 0.5328878413841326
Energy: 0.5323125245239964
Energy: 0.5328878413847798
Energy: 0.7044570226908504
Energy: 0.6242603777408968
Energy: 0.5660671620128183
Energy: 0.6242603777428387
Energy: 0.6430145768384887
Energy: 0.6435315380470025
Energy: 0.6954919167100881
Energy: 0.6435315380418241
Energy: 0.6342062063318099
Energy: 0.5582635285545758
Energy: 0.6458726039980457
Energy: 0.5582635285493974
Energy: 0.5859119210823132
Energy: 0.5568983333181997
Energy: 0.5275657482066967
Energy: 0.5568983333214067
Energy: 0.6426667964926411
Energy: 0.557780996783042
Energy: 0.5675769794258402
Energy: 0.5577809967791583
Energy: 0.7416487388383022
Energy: 0.6440004243213588
Energy: 0.6435855829247421
Energy: 0.6440004243233007
Energy: 0.7420634598270741
Energy: 0.6247244302656445
Energy: 0.6563812301108402
Energy: 0.6247244302656445
Energy: 0.5738694447842971
Energy: 0.5325706081456182
Energy: 0.5814649020512815
Energy: 0.5325706081456182
Energy: 0.5318858212166415
Energy: 0.54736211296247
Energy: 0.6600940178257269
Energy: 0.5473621129592334
Energy: 0.5659249918838063
Energy: 0.5658384032239842
Energy: 0.7465831911935366
Energy: 0.5658384032252789
Energy: 0.5676988845239769
Energy: 0.5811826684178528
Energy: 0.6379070780201265
Energy: 0.5811826684217367
Energy: 0.6934751252686492
Energy: 0.5665498794865238
Energy: 0.6513823355061528
Energy: 0.5665498794878184
Energy: 0.6935567466205723
Energy: 0.5668084179910293
Energy: 0.5673653747072215
Energy: 0.5668084179897348
Energy: 0.6573797658484316
Energy: 0.5332233284169036
Energy: 0.534966768746503
Energy: 0.5332233284188455
Energy: 0.6392995458438876
Energy: 0.5329752258253243
Energy: 0.5319777159076188
Energy: 0.5329752258259717
Energy: 0.6808113865713105
Energy: 0.6231563178020371
Energy: 0.6516829062530849
Energy: 0.6231563177994478
Energy: 0.6699830728601175
Energy: 0.6471435024177982
Energy: 0.7678017619423219
Energy: 0.6471435024184454
Energy: 0.6336845762017304
Energy: 0.6236803283060802
Energy: 0.6520612995521167
Energy: 0.6236803283041383
Energy: 0.5831523123442157
Energy: 0.5584636723489699
Energy: 0.602774799799366
Energy: 0.5584636723573847
Energy: 0.6367453007966011
Energy: 0.5582256291004527
Energy: 0.5286911580863944
Energy: 0.5582256291011001
Energy: 0.7415425880426111
Energy: 0.6434843037563673
Energy: 0.6442351887217109
Energy: 0.6434843037531308

minimum gb energy = 0.5275657482066967 eV
minimum distance =  2.57123092792595 Angstroms
sigma value = 29


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

Energy: 0.4631890935107561
Energy: 0.6126294717040756
Energy: 0.5378006603582232
Energy: 0.6126294717040756
Energy: 0.5998409611235745
Energy: 0.5309471039486855
Energy: 0.5612251717232358
Energy: 0.5309471039557251
Energy: 0.6006996435623977
Energy: 0.5800963352554218
Energy: 0.5317746319002039
Energy: 0.5800963352554218
Energy: 0.538521894410863
Energy: 0.47483358479802423
Energy: 0.5991601678572896
Energy: 0.4748335848024334
Energy: 0.5351419680476023
Energy: 0.5343563113954274
Energy: 0.4638331272696806
Energy: 0.5343563113949765
Energy: 0.5989112884450027
Energy: 0.5796165938258178
Energy: 0.46395710181080074
Energy: 0.5796165938258178
Energy: 0.4698201241023578
Energy: 0.5802241985008469
Energy: 0.5996149497859995
Energy: 0.5802241985008469
Energy: 0.5609500285361116
Energy: 0.4753124311965239
Energy: 0.5932886588159522
Energy: 0.4753124312066701
Energy: 0.5384629451528824
Energy: 0.4754831699876776
Energy: 0.5329432265843612
Energy: 0.4754831699859239

minimum gb energy = 0.4631890935107561 eV
minimum distance =  2.60720880431013 Angstroms
sigma value = 5


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

Energy: 0.6786034080461149
Energy: 0.5542781376165219
Energy: 0.6351879878754907
Energy: 0.5542781376800845
Energy: 0.647387319128066
Energy: 0.5036680233209974
Energy: 0.6413546221121768
Energy: 0.5036680233216089
Energy: 0.6014896166667479
Energy: 0.5438767111030186
Energy: 0.5885291981490729
Energy: 0.54387671110363
Energy: 0.5123709963367808
Energy: 0.5029014995102853
Energy: 0.655342799554043
Energy: 0.5029014995108968
Energy: 0.6012899700289058
Energy: 0.5529089200985573
Energy: 0.7028189361376491
Energy: 0.5529089200985573
Energy: 0.5680779819032655
Energy: 0.5197027579979411
Energy: 0.7016237657294041
Energy: 0.5197027579961068
Energy: 0.5033139052990914
Energy: 0.5031899341157781
Energy: 0.654804524765467
Energy: 0.5031899341151665
Energy: 0.5241754028151527
Energy: 0.5037823617644861
Energy: 0.6635577867859417
Energy: 0.503782361765709
Energy: 0.6265641057590863
Energy: 0.5825096774053287
Energy: 0.6757937907157255
Energy: 0.5825096774059402
Energy: 0.5934186821297891
Energy: 0.4950241753529764
Energy: 0.5118423800336328
Energy: 0.4950241753529764
Energy: 0.6246237445204803
Energy: 0.4951703316611613
Energy: 0.5220509286543858
Energy: 0.4951703316611613
Energy: 0.6585913110064754
Energy: 0.5214261315700197
Energy: 0.5080398007807347
Energy: 0.5214261315706311
Energy: 0.6608566655998345
Energy: 0.49724254956939407
Energy: 0.6658857398151894
Energy: 0.49724254957122843
Energy: 0.6116081214799768
Energy: 0.5222218445122115
Energy: 0.5883462901646528
Energy: 0.5222218445122115
Energy: 0.5043953038147538
Energy: 0.5164186461408083
Energy: 0.5889552330733919
Energy: 0.5164186461414199
Energy: 0.5644105387091402
Energy: 0.5041054335268165
Energy: 0.6470088127354697
Energy: 0.5041054335262051
Energy: 0.5568853228999695
Energy: 0.5459688886435379
Energy: 0.6126605969005671
Energy: 0.5459688886429264
Energy: 0.6429707429559998
Energy: 0.5037656414606355
Energy: 0.6130541028145314
Energy: 0.5037656414606355
Energy: 0.5875744928580153
Energy: 0.5454879340501542
Energy: 0.6031291752061051
Energy: 0.5454879340501542
Energy: 0.6540755604723048
Energy: 0.5029882719075706
Energy: 0.5104905426352816
Energy: 0.5029882719087934
Energy: 0.7008683725524684
Energy: 0.5196311669414022
Energy: 0.6376944422774824
Energy: 0.5196311669414022
Energy: 0.7034966445786428
Energy: 0.553385143203006
Energy: 0.5673133869408754
Energy: 0.5533851432036175
Energy: 0.639940792751172
Energy: 0.5032759676260118
Energy: 0.5046401642684007
Energy: 0.503275967623566
Energy: 0.6614401953489373
Energy: 0.5037874129659567
Energy: 0.5227414397090465
Energy: 0.5037874129647338
Energy: 0.6762412588767286
Energy: 0.5821570794110784
Energy: 0.6102735053895446
Energy: 0.5821570794104669
Energy: 0.5122253632751503
Energy: 0.49602983858860705
Energy: 0.5933806905327235
Energy: 0.49602983858860705
Energy: 0.5228481326961056
Energy: 0.4955200166529745
Energy: 0.6264474185623866
Energy: 0.49552001665177947
Energy: 0.5212985364371363
Energy: 0.5088826087698067
Energy: 0.6150242709446859
Energy: 0.5088826087704181
Energy: 0.650384005139743
Energy: 0.4956550798553978
Energy: 0.6618969677750869
Energy: 0.49565507985662066
Energy: 0.5878942471894585
Energy: 0.581667179274161
Energy: 0.61155660895743
Energy: 0.581667179274161
Energy: 0.5887491233985014
Energy: 0.5040239304044453
Energy: 0.5066197062048152
Energy: 0.5040239304056682
Energy: 0.6472552402815769
Energy: 0.5038323653986301
Energy: 0.5214241654320638
Energy: 0.5038323653986301
Energy: 0.6127937751107674
Energy: 0.5520483327972399
Energy: 0.5560506822425454
Energy: 0.5520483327972399

minimum gb energy = 0.4950241753529764 eV
minimum distance =  2.55846036030251 Angstroms
sigma value = 1


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

Energy: 0.8081757445762267
Energy: 0.5323317699497134
Energy: 0.6343497628710073
Energy: 0.5323317699302876
Energy: 0.6700310154664301
Energy: 0.4899240828736951
Energy: 0.6030835125073506
Energy: 0.4899240828736951
Energy: 0.6073242751665966
Energy: 0.5448630680002013
Energy: 0.6003932527362812
Energy: 0.5448630680010468
Energy: 0.548767434941273
Energy: 0.5915664717827129
Energy: 0.646827194612189
Energy: 0.5915664717844039
Energy: 0.6069034725368214
Energy: 0.5038209340113117
Energy: 0.6424110789400769
Energy: 0.5038209340113117
Energy: 0.5073371923059092
Energy: 0.5059423747075644
Energy: 0.6439390943514113
Energy: 0.505942374706719
Energy: 0.4941080940171789
Energy: 0.49418343565091255
Energy: 0.7103900047719952
Energy: 0.4941834356500671
Energy: 0.5040804364269298
Energy: 0.49481775844260784
Energy: 0.6719676873805627
Energy: 0.49481775844429865
Energy: 0.618089251944023
Energy: 0.5273838956038884
Energy: 0.6830848805585338
Energy: 0.5273838956038884
Energy: 0.6639198936732134
Energy: 0.4704824135474556
Energy: 0.5232675149943183
Energy: 0.4704824135280109
Energy: 0.6104365810153739
Energy: 0.4768904396523866
Energy: 0.5248212301786451
Energy: 0.4768904396532321
Energy: 0.6817499175203491
Energy: 0.46973494493240153
Energy: 0.5137016224589604
Energy: 0.46973494493240153
Energy: 0.6811689496527338
Energy: 0.46900826614141083
Energy: 0.6063428756343777
Energy: 0.46900826613972
Energy: 0.6237522528011779
Energy: 0.46906338520010876
Energy: 0.632997072737805
Energy: 0.46906338519841795
Energy: 0.549750110509963
Energy: 0.575047516513401
Energy: 0.629670263157754
Energy: 0.5750475165142465
Energy: 0.5488973655736993
Energy: 0.49432497953008314
Energy: 0.6317854895703771
Energy: 0.4943249795309286
Energy: 0.5492884023998097
Energy: 0.567651835107372
Energy: 0.6429790611143105
Energy: 0.5676518351082175
Energy: 0.49441064087389675
Energy: 0.4947450730969021
Energy: 0.6457975598311249
Energy: 0.49474507309774746
Energy: 0.5034020753016053
Energy: 0.49444913656376194
Energy: 0.6761523202729338
Energy: 0.4944491365612257
Energy: 0.4952241298455543
Energy: 0.5831607705140089
Energy: 0.6719258596296868
Energy: 0.5831607705131636
Energy: 0.6546702042613729
Energy: 0.49059474555803917
Energy: 0.688345860589693
Energy: 0.49059474555973
Energy: 0.6449093855203024
Energy: 0.4901153355002705
Energy: 0.4910972893927794
Energy: 0.4901153355002705
Energy: 0.6706586659238427
Energy: 0.4901124911934332
Energy: 0.4912518257789693
Energy: 0.4901124911934332
Energy: 0.6726320186727653
Energy: 0.5188556327157485
Energy: 0.5186690768697385
Energy: 0.5188556327149032

minimum gb energy = 0.46900826613972 eV
minimum distance =  2.56663164572403 Angstroms
sigma value = 17


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

Energy: 0.7794789654111436
Energy: 0.5206793127203792
Energy: 0.6361175838194503
Energy: 0.5206793166559672
Energy: 0.6720923284575117
Energy: 0.48318240944502544
Energy: 0.5616266835831721
Energy: 0.4831824094408452
Energy: 0.6195618458323406
Energy: 0.5839585811563571
Energy: 0.5559813944764694
Energy: 0.5839585811568797
Energy: 0.6196323279214601
Energy: 0.5114872792462589
Energy: 0.6217953455847834
Energy: 0.5114872791527717
Energy: 0.6688293746607388
Energy: 0.4886029312719927
Energy: 0.677236512181257
Energy: 0.4886029312735603
Energy: 0.47577749011739123
Energy: 0.4890423896042273
Energy: 0.701555748392016
Energy: 0.4890423896042273
Energy: 0.47681640634425554
Energy: 0.475350961883782
Energy: 0.6434733242221807
Energy: 0.4753509618853496
Energy: 0.48193167019002375
Energy: 0.47579043774156343
Energy: 0.7207798036000536
Energy: 0.47579043774313107
Energy: 0.6769902156720977
Energy: 0.47606713182012217
Energy: 0.6796743661954615
Energy: 0.4760671318195996
Energy: 0.5575397820089523
Energy: 0.5127729580349458
Energy: 0.5636111161109435
Energy: 0.5127729580344231
Energy: 0.6716842173081158
Energy: 0.4823788378372506
Energy: 0.48761528629363526
Energy: 0.4823788378362056
Energy: 0.6997230554389484
Energy: 0.4840195531582714
Energy: 0.552491870965709
Energy: 0.4840195531593165
Energy: 0.7049214909654107
Energy: 0.5140253932212427
Energy: 0.5184581889786299
Energy: 0.5140253932207202
Energy: 0.7003365108389507
Energy: 0.4821565255942398
Energy: 0.4845298134703302
Energy: 0.48215652559319483
Energy: 0.6170721678518948
Energy: 0.4830200940996832
Energy: 0.48793835662341145
Energy: 0.48302009409863816
Energy: 0.7184199872916327
Energy: 0.48282944102982484
Energy: 0.6849218161429235
Energy: 0.48282944102930225
Energy: 0.4840637010648311
Energy: 0.5006334390429452
Energy: 0.682138911573207
Energy: 0.5006334390518284
Energy: 0.4977846402413572
Energy: 0.4826915459966204
Energy: 0.7050712009860245
Energy: 0.4826915459971428
Energy: 0.5051915231731465
Energy: 0.4833144785151335
Energy: 0.6777726183759861
Energy: 0.4833144785151335
Energy: 0.6038181639160507
Energy: 0.5722276828840497
Energy: 0.7231237246783865
Energy: 0.5722276828871848
Energy: 0.5589016258001978
Energy: 0.4826467640102376
Energy: 0.6717940911134156
Energy: 0.48264676401332535
Energy: 0.5570451064360279
Energy: 0.5854262667346684
Energy: 0.617518133471777
Energy: 0.5854262667367586
Energy: 0.644799582509215
Energy: 0.51004218524502
Energy: 0.6173612195975864
Energy: 0.5100421852444975
Energy: 0.679070241520716
Energy: 0.4891538258204111
Energy: 0.6629651326206951
Energy: 0.4891538258204111
Energy: 0.6993035590280003
Energy: 0.476276165848756
Energy: 0.49095997713728784
Energy: 0.476276165848756
Energy: 0.6435810152427366
Energy: 0.47567287298193345
Energy: 0.478479284980366
Energy: 0.4756728729814109
Energy: 0.7245040932508553
Energy: 0.4764036170813068
Energy: 0.4784556805533798
Energy: 0.47640361708339707
Energy: 0.6766928161204905
Energy: 0.47838971573221767
Energy: 0.67586300441146
Energy: 0.47838971573117256
Energy: 0.5635969666649753
Energy: 0.5109255878989558
Energy: 0.5555532157171866
Energy: 0.5109255878994784
Energy: 0.4886578751992788
Energy: 0.48239033526078234
Energy: 0.673852207067121
Energy: 0.4823903352613049
Energy: 0.5728935823534772
Energy: 0.4982854582472926
Energy: 0.7014928385871901
Energy: 0.4982854582472926
Energy: 0.51600350192942
Energy: 0.49780333428982493
Energy: 0.7022722407900571
Energy: 0.49780333428982493
Energy: 0.4827315510920709
Energy: 0.48204099489513996
Energy: 0.6983781889883641
Energy: 0.48204099489461744
Energy: 0.4905050243342422
Energy: 0.4831371512450293
Energy: 0.6185752485300606
Energy: 0.4831371512439842
Energy: 0.6861434940033783
Energy: 0.4820793894886523
Energy: 0.716665731161897
Energy: 0.48207938948917484
Energy: 0.7007393510591232
Energy: 0.4832512031559885
Energy: 0.484167443819106
Energy: 0.483251203156511
Energy: 0.704066758336852
Energy: 0.4823310755394969
Energy: 0.4832214999190359
Energy: 0.4823310755389743
Energy: 0.6795546101632655
Energy: 0.48384016003059577
Energy: 0.534985809460814
Energy: 0.4838401600300732

minimum gb energy = 0.475350961883782 eV
minimum distance =  2.58270388813504 Angstroms
sigma value = 89


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

Energy: 0.8209068684535265
Energy: 0.43630537989643886
Energy: 0.43828489289732053
Energy: 0.4363053798841648
Energy: 0.5867363650108085
Energy: 0.4835938590237803
Energy: 0.5814299520338309
Energy: 0.4835938590237803
Energy: 0.4312099019762002
Energy: 0.48459632172007117
Energy: 0.5866919097003049
Energy: 0.48459632172007117
Energy: 0.433765998691119
Energy: 0.48408045129336474
Energy: 0.587131950677597
Energy: 0.48408045129336474
Energy: 0.4548689107766357
Energy: 0.43813771456404976
Energy: 0.5837963842996057
Energy: 0.43813771456404976
Energy: 0.4362143794366674
Energy: 0.43830304454555913
Energy: 0.5834661217674794
Energy: 0.4383030445482936
Energy: 0.43651161937965666
Energy: 0.43560676193594083
Energy: 0.7291520849537325
Energy: 0.43560676193594083
Energy: 0.4367729668882634
Energy: 0.4372575464762743
Energy: 0.7219142593141517
Energy: 0.4372575464762743
Energy: 0.5803332620812442
Energy: 0.4368717702306909
Energy: 0.7230761103451052
Energy: 0.4368717702306909
Energy: 0.5886039041638402
Energy: 0.4842269883125543
Energy: 0.5872764720373103
Energy: 0.4842269883125543
Energy: 0.5794859785133858
Energy: 0.48383378253382353
Energy: 0.4307974190110641
Energy: 0.48383378253382353
Energy: 0.5837419882375365
Energy: 0.43737600124972065
Energy: 0.5876071200764738
Energy: 0.43737600124972065
Energy: 0.5844186344338808
Energy: 0.4386801934633412
Energy: 0.4373464059224925
Energy: 0.4386801934633412
Energy: 0.7279567609554627
Energy: 0.4353426186356527
Energy: 0.4355062649529536
Energy: 0.4353426186370199
Energy: 0.7221490591324085
Energy: 0.43659374824986885
Energy: 0.4390219512401516
Energy: 0.4365937482512361

minimum gb energy = 0.4307974190110641 eV
minimum distance =  2.60298443021716 Angstroms
sigma value = 13


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

Energy: 0.7342611018770681
Energy: 0.430468332563728
Energy: 0.4398236069888662
Energy: 0.43046834768061104
Energy: 0.6627067486613997
Energy: 0.43109399669085646
Energy: 0.5194251503667315
Energy: 0.4310939966891373
Energy: 0.6894367410909407
Energy: 0.4306271708922177
Energy: 0.5067947837264928
Energy: 0.430627170895083
Energy: 0.5681306703447225
Energy: 0.43085060009568554
Energy: 0.6011398544751426
Energy: 0.43085060009282017
Energy: 0.6828067680820291
Energy: 0.43037973447960814
Energy: 0.6320606869265673
Energy: 0.4303797344790351
Energy: 0.5093080468849677
Energy: 0.4309738850371073
Energy: 0.6313372716627338
Energy: 0.4309738850371073
Energy: 0.506908532422725
Energy: 0.4306632825027198
Energy: 0.760223392262631
Energy: 0.4306632825027198
Energy: 0.5188498609008343
Energy: 0.4465256636020684
Energy: 0.732275562452541
Energy: 0.44652566360493373
Energy: 0.4378896672023878
Energy: 0.4319588076519374
Energy: 0.7313901782319522
Energy: 0.4319588076507913
Energy: 0.43312209854923006
Energy: 0.43094255111333546
Energy: 0.7581800778105475
Energy: 0.4309425511116163
Energy: 0.4310182586497235
Energy: 0.4324142102641369
Energy: 0.6953820275454838
Energy: 0.4324142102681222
Energy: 0.6339679504439508
Energy: 0.5435135953066402
Energy: 0.7580477089323164
Energy: 0.5435135953100786
Energy: 0.6327237542303036
Energy: 0.45584120087285224
Energy: 0.6345398166736848
Energy: 0.4558412008722792
Energy: 0.6664854976962294
Energy: 0.45768433461530245
Energy: 0.5777838625896914
Energy: 0.4576843346141563
Energy: 0.7342809374288607
Energy: 0.4317399871526443
Energy: 0.639620388339701
Energy: 0.43173998715035206
Energy: 0.7344169740340089
Energy: 0.4317152045285752
Energy: 0.4316664933740903
Energy: 0.43171520452972123
Energy: 0.7610708859014859
Energy: 0.4309278622647229
Energy: 0.43331067967034187
Energy: 0.43092786226185764
Energy: 0.6916292618922647
Energy: 0.44614214005716646
Energy: 0.4453752015086946
Energy: 0.44614214005888564
Energy: 0.7719105153600975
Energy: 0.4318099943451458
Energy: 0.5227501475942005
Energy: 0.4318099943508763
Energy: 0.7326038351288697
Energy: 0.4305046400974673
Energy: 0.5016794421356231
Energy: 0.43050464010205186
Energy: 0.5706477755202914
Energy: 0.4310162421142517
Energy: 0.5192097541918932
Energy: 0.43101624209135536
Energy: 0.7326763143734947
Energy: 0.4329658649676223
Energy: 0.6315512837008234
Energy: 0.4329658649722068
Energy: 0.510521881474184
Energy: 0.4312339053945352
Energy: 0.6325855959097602
Energy: 0.43123390539281603
Energy: 0.43356762677254307
Energy: 0.4302870201355308
Energy: 0.7358449058978429
Energy: 0.43028702013438463
Energy: 0.5156140310085046
Energy: 0.43151054930916904
Energy: 0.7328658759648852
Energy: 0.4315105493103152
Energy: 0.45133776033322115
Energy: 0.43139283139195456
Energy: 0.7325827203204637
Energy: 0.4313928313931007
Energy: 0.43077048899020726
Energy: 0.43050310865081637
Energy: 0.756270824321822
Energy: 0.43050310865196256
Energy: 0.43089957874711204
Energy: 0.43168524825512183
Energy: 0.6929335709595673
Energy: 0.431685248256268
Energy: 0.6350176543036626
Energy: 0.4313284479427606
Energy: 0.7719886018750546
Energy: 0.43132844794619896
Energy: 0.5004914960572452
Energy: 0.45797678500701317
Energy: 0.6377108313990798
Energy: 0.4579767850138898
Energy: 0.6386967594769383
Energy: 0.46023738615636167
Energy: 0.5695933038333317
Energy: 0.46023738614661963
Energy: 0.7338810818654525
Energy: 0.4314458029527001
Energy: 0.6372962274016475
Energy: 0.4314458029527001
Energy: 0.7344703864315589
Energy: 0.4318433475086034
Energy: 0.4323930755634418
Energy: 0.4318433475108957
Energy: 0.7576138862275307
Energy: 0.43041997747609373
Energy: 0.43109771108533845
Energy: 0.4304199774738015
Energy: 0.777351609867896
Energy: 0.4464788991799213
Energy: 0.4454049131854043
Energy: 0.44647889917361766

minimum gb energy = 0.43028702013438463 eV
minimum distance =  2.59511880465126 Angstroms
sigma value = 37


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

Energy: 0.7114718400385572
Energy: 0.4100406366198052
Energy: 0.4098535441789712
Energy: 0.41004063662079115
Energy: 0.7918407300568189
Energy: 0.4101593054684697
Energy: 0.5305179604993249
Energy: 0.4101593054684697
Energy: 0.6673661705529769
Energy: 0.5428717773740676
Energy: 0.5295258134635282
Energy: 0.5428717773760395
Energy: 0.6672031279251363
Energy: 0.5436734620735147
Energy: 0.6158482918615509
Energy: 0.5436734620735147
Energy: 0.6753138151481171
Energy: 0.40371983211440426
Energy: 0.5711472863580512
Energy: 0.4037198321163762
Energy: 0.5145818162243349
Energy: 0.502588479781898
Energy: 0.7108906101181707
Energy: 0.5025884797809121
Energy: 0.4536882284646795
Energy: 0.5022303872393309
Energy: 0.7389172989232774
Energy: 0.5022303872393309
Energy: 0.5124731657192858
Energy: 0.4040756842971145
Energy: 0.7378799371979955
Energy: 0.40407568429612856
Energy: 0.45154284814459417
Energy: 0.40401358971107426
Energy: 0.7387946869624571
Energy: 0.40401358971107426
Energy: 0.4530302320789417
Energy: 0.3933083422032569
Energy: 0.7707625449730362
Energy: 0.3933083422032569
Energy: 0.4998800433079737
Energy: 0.5005826325182147
Energy: 0.6364821859243611
Energy: 0.5005826325172287
Energy: 0.5692260514343143
Energy: 0.39320557366394226
Energy: 0.7708787757350184
Energy: 0.39320557366492814
Energy: 0.5823348686010906
Energy: 0.5371183824292655
Energy: 0.6675542578937361
Energy: 0.5371183824272937
Energy: 0.6463981160297412
Energy: 0.5371734312945403
Energy: 0.6673831602855862
Energy: 0.5371734312955262
Energy: 0.5711472863570652
Energy: 0.5173848310341868
Energy: 0.665710490560221
Energy: 0.517384831032215
Energy: 0.7013994452458783
Energy: 0.5173603911246507
Energy: 0.5216326792482258
Energy: 0.517360391122679
Energy: 0.7010606210052007
Energy: 0.410583109822138
Energy: 0.4564723999919941
Energy: 0.4105831098211745
Energy: 0.7378799371979955
Energy: 0.4115425727677056
Energy: 0.5030909879337024
Energy: 0.4115425727677056
Energy: 0.7387946869634431
Energy: 0.4106534453357788
Energy: 0.4103314466519098
Energy: 0.41065344533676473
Energy: 0.7917158470294303
Energy: 0.41046920230961825
Energy: 0.4101963094680104
Energy: 0.41046920230961825

minimum gb energy = 0.39320557366394226 eV
minimum distance =  2.58141723703086 Angstroms
sigma value = 25


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

Energy: 0.817564916616025
Energy: 0.37053174968882613
Energy: 0.3702560669309411
Energy: 0.37053174983734305
Energy: 0.7457426750706757
Energy: 0.37084289743377025
Energy: 0.4709699557476744
Energy: 0.3708428974345402
Energy: 0.705425744744617
Energy: 0.4816855630854714
Energy: 0.46049387856399654
Energy: 0.4816855630862412
Energy: 0.5777457775845635
Energy: 0.48186749914852706
Energy: 0.6152781307977973
Energy: 0.48186749914702237
Energy: 0.7168691290619106
Energy: 0.4917808011451651
Energy: 0.6181500806508728
Energy: 0.4917808011420856
Energy: 0.5866312307559978
Energy: 0.5842638238930722
Energy: 0.6165568890951479
Energy: 0.5842638238915324
Energy: 0.5794226753076811
Energy: 0.453104274124603
Energy: 0.7436462748167703
Energy: 0.45310427412383314
Energy: 0.6047884522094005
Energy: 0.4438117962219805
Energy: 0.6446236296821488
Energy: 0.4438117962242901
Energy: 0.4541680943807248
Energy: 0.4441263103943139
Energy: 0.7437070366718781
Energy: 0.44412631039200423
Energy: 0.4547521970401922
Energy: 0.44369262154584976
Energy: 0.7415620541762019
Energy: 0.44369262154738953
Energy: 0.406726507701617
Energy: 0.369044635870304
Energy: 0.7030413497901407
Energy: 0.3690446358664546
Energy: 0.4098687654582759
Energy: 0.3680463357436961
Energy: 0.7420465237078907
Energy: 0.3680463357436961
Energy: 0.4153253650406331
Energy: 0.36313278389874726
Energy: 0.8019456152780271
Energy: 0.3631327838995171
Energy: 0.496801424743652
Energy: 0.3641357817340258
Energy: 0.6714913463481574
Energy: 0.36413578173479566
Energy: 0.49517764237558154
Energy: 0.3626130128708599
Energy: 0.7989863421502982
Energy: 0.36261301287009
Energy: 0.5224398229129674
Energy: 0.4784778844489787
Energy: 0.7080643981263298
Energy: 0.4784778844482088
Energy: 0.6066704363294425
Energy: 0.3690544341135218
Energy: 0.705957436356755
Energy: 0.369054434111982
Energy: 0.4940372972673934
Energy: 0.5533537933030083
Energy: 0.7114542219576042
Energy: 0.5533537933030083
Energy: 0.6084221627196865
Energy: 0.5544974984019991
Energy: 0.5798288356641248
Energy: 0.554497498402769
Energy: 0.7455163732134192
Energy: 0.46599870079573197
Energy: 0.5872573470150811
Energy: 0.46599870079419226
Energy: 0.6447722718594601
Energy: 0.4793760281298812
Energy: 0.4612744156655965
Energy: 0.4793760281298812
Energy: 0.7455610616829089
Energy: 0.4800854938646649
Energy: 0.4083777615578249
Energy: 0.48008549386389504
Energy: 0.7694748704779137
Energy: 0.3712988881815609
Energy: 0.4611298718178372
Energy: 0.3712988881823308
Energy: 0.6450063279898749
Energy: 0.37237729444953666
Energy: 0.37072507590923354
Energy: 0.372377294447227
Energy: 0.80939694905206
Energy: 0.3704795339420031
Energy: 0.3722618068984008
Energy: 0.3704795339412333
Energy: 0.7067993388691837
Energy: 0.3714500464851439
Energy: 0.3748374695667602
Energy: 0.3714500464874536

minimum gb energy = 0.36261301287009 eV
minimum distance =  2.58401033061354 Angstroms
sigma value = 41


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

Energy: 0.8319090193356544
Energy: 0.337476266086621
Energy: 0.3373399488650551
Energy: 0.33747633940363525
Energy: 0.7611700745265901
Energy: 0.3382171804099614
Energy: 0.42094976024874375
Energy: 0.33821718041059257
Energy: 0.7044786955288908
Energy: 0.3394328920934103
Energy: 0.4128401412954124
Energy: 0.3394328920927791
Energy: 0.6037897637218071
Energy: 0.3387228565534651
Energy: 0.5419154964813749
Energy: 0.3387228565534651
Energy: 0.7125754984721046
Energy: 0.4476360060527573
Energy: 0.5519648795691334
Energy: 0.4476360060533885
Energy: 0.598288103966275
Energy: 0.5307341562580744
Energy: 0.5510382375145095
Energy: 0.5307341562593367
Energy: 0.6013923716073913
Energy: 0.5383899559422732
Energy: 0.6586469009466009
Energy: 0.5383899559429045
Energy: 0.611631478661759
Energy: 0.44753094762066586
Energy: 0.5408263644227128
Energy: 0.447530947618801
Energy: 0.4802756191903481
Energy: 0.5342795692151765
Energy: 0.6527250772570672
Energy: 0.5342795692151765
Energy: 0.49191653424899073
Energy: 0.4477670330643454
Energy: 0.7612397570723695
Energy: 0.447767033063083
Energy: 0.4092115371745286
Energy: 0.3385361867436183
Energy: 0.6517973255349278
Energy: 0.3385361867265766
Energy: 0.4080402802752336
Energy: 0.33909764138153353
Energy: 0.761310771223075
Energy: 0.33909764138153353
Energy: 0.4258312283250455
Energy: 0.3383166481011346
Energy: 0.7612455067393227
Energy: 0.3383166481005035
Energy: 0.33829639015228674
Energy: 0.33925695974294073
Energy: 0.6597678644065388
Energy: 0.3392569597435719
Energy: 0.3393229833281796
Energy: 0.3384790268463993
Energy: 0.8206447906285801
Energy: 0.3384790268457681
Energy: 0.3382345487874339
Energy: 0.3382654236630473
Energy: 0.7064666435222682
Energy: 0.3382654236643097
Energy: 0.4091647758908762
Energy: 0.3390042132062622
Energy: 0.7096405651409686
Energy: 0.3390042132062622
Energy: 0.40746782087060585
Energy: 0.33716310940020955
Energy: 0.7648175505987261
Energy: 0.33716310939894717
Energy: 0.42165932647931675
Energy: 0.3385892931414509
Energy: 0.6002089003488039
Energy: 0.33858929314081976
Energy: 0.5565136319352703
Energy: 0.33946515223855794
Energy: 0.5982062505658595
Energy: 0.3394651522391891
Energy: 0.5438388163698378
Energy: 0.44774886964672095
Energy: 0.6574233108801756
Energy: 0.44774886964672095
Energy: 0.5556006238607313
Energy: 0.4468714050893334
Energy: 0.6030495609531893
Energy: 0.4468714050899646
Energy: 0.6526949252856361
Energy: 0.5461796747632879
Energy: 0.5986356331146176
Energy: 0.5461796747632879
Energy: 0.5403948528110428
Energy: 0.5390098893735792
Energy: 0.5528900802177582
Energy: 0.5390098893735792
Energy: 0.6565898696859949
Energy: 0.448542262457686
Energy: 0.4768874306217622
Energy: 0.448542262457686
Energy: 0.6528183682386924
Energy: 0.3392057608018906
Energy: 0.5407932556905194
Energy: 0.33920576079999704
Energy: 0.6563078568653903
Energy: 0.3388879132001756
Energy: 0.42186499184616555
Energy: 0.3388879132001756
Energy: 0.7666285762273303
Energy: 0.33744796630552604
Energy: 0.40865970572201027
Energy: 0.3374479663042637
Energy: 0.6549211099609644
Energy: 0.3392271833228645
Energy: 0.4120308116886357
Energy: 0.3392271833228645
Energy: 0.6535289430445289
Energy: 0.3384169042591649
Energy: 0.3385642540207589
Energy: 0.33841690426042725
Energy: 0.7634341196139197
Energy: 0.3381429936043909
Energy: 0.33903443229931485
Energy: 0.3381429936037597
Energy: 0.7036406005302229
Energy: 0.3389697685629454
Energy: 0.3383913658571415
Energy: 0.3389697685635765

minimum gb energy = 0.33716310939894717 eV
minimum distance =  2.59192497166184 Angstroms
sigma value = 15


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

Energy: 0.7620892242041059
Energy: 0.32048720890195354
Energy: 0.3198902644292366
Energy: 0.3204924655231259
Energy: 0.7798207326508343
Energy: 0.3185257244447817
Energy: 0.38160558125446215
Energy: 0.3185257244453164
Energy: 0.7542076772648453
Energy: 0.3220222402569573
Energy: 0.3817645223838249
Energy: 0.3220222402585614
Energy: 0.664577288089588
Energy: 0.32118458624282065
Energy: 0.4918744339634797
Energy: 0.3211845862503063
Energy: 0.7616841641544614
Energy: 0.4161407221915783
Energy: 0.495938837956776
Energy: 0.41614072218623144
Energy: 0.6572171583731309
Energy: 0.49891349896644244
Energy: 0.49836124989009056
Energy: 0.49891349896537307
Energy: 0.5669030778599118
Energy: 0.5071021076483366
Energy: 0.5962456384647818
Energy: 0.507102107654753
Energy: 0.6762226168038389
Energy: 0.5095768894222957
Energy: 0.5178497062573622
Energy: 0.5095768894185528
Energy: 0.5654184095000236
Energy: 0.5029305473515685
Energy: 0.5907468720373444
Energy: 0.5029305473542419
Energy: 0.5646002720587265
Energy: 0.5076107256491375
Energy: 0.6838041506997244
Energy: 0.5076107256475333
Energy: 0.48776022216421383
Energy: 0.41513249868960983
Energy: 0.6202950867081419
Energy: 0.4151324986890752
Energy: 0.461750380870474
Energy: 0.4930133874869159
Energy: 0.684257285175592
Energy: 0.493013387493867
Energy: 0.5057990235230198
Energy: 0.37911789693211523
Energy: 0.7050773618586055
Energy: 0.37911789693158054
Energy: 0.3766229885162791
Energy: 0.37127627807960584
Energy: 0.6155946758164736
Energy: 0.37127627808120994
Energy: 0.3776175027220995
Energy: 0.317566118330737
Energy: 0.7795742087249301
Energy: 0.31756611833180637
Energy: 0.37640745804740694
Energy: 0.37166924496053544
Energy: 0.707576787171195
Energy: 0.3716692449589314
Energy: 0.3462666471795385
Energy: 0.31798960004145715
Energy: 0.7112246606074228
Energy: 0.31798960003771426
Energy: 0.3454742513287028
Energy: 0.3180948892741206
Energy: 0.8065290284720777
Energy: 0.31809488927572466
Energy: 0.3491334569352337
Energy: 0.31656064449056365
Energy: 0.6348410425763543
Energy: 0.316560644491633
Energy: 0.41001612455475506
Energy: 0.31704313730012784
Energy: 0.7326003493959575
Energy: 0.3170431373044054
Energy: 0.40446875140120486
Energy: 0.3181656520478643
Energy: 0.7590571569715467
Energy: 0.3181656520478643
Energy: 0.4049756495736576
Energy: 0.31844221917279686
Energy: 0.6632339236738684
Energy: 0.31844221917012344
Energy: 0.49291621074930375
Energy: 0.4644192785808341
Energy: 0.6570371560592438
Energy: 0.46441927857923
Energy: 0.49030225838973474
Energy: 0.46809087738894334
Energy: 0.6842102784814376
Energy: 0.46809087738520044
Energy: 0.48954897892039556
Energy: 0.46383267659402694
Energy: 0.5706576365514722
Energy: 0.46383267659188815
Energy: 0.5905780024052173
Energy: 0.4757852155700769
Energy: 0.6825294067997323
Energy: 0.4757852155727504
Energy: 0.5164057027862462
Energy: 0.5015293359665939
Energy: 0.5913759647806005
Energy: 0.501529335968198
Energy: 0.644668228475303
Energy: 0.5075946086947676
Energy: 0.5703897891017219
Energy: 0.507594608695837
Energy: 0.6124244307964678
Energy: 0.5005824014593222
Energy: 0.5954963341243716
Energy: 0.500582401457718
Energy: 0.6106966218294652
Energy: 0.4976519881033739
Energy: 0.49536577195330717
Energy: 0.4976519881028392
Energy: 0.7393990898941738
Energy: 0.41631424856896726
Energy: 0.4617525847076191
Energy: 0.4163142485711061
Energy: 0.6146638340847772
Energy: 0.3222298015924735
Energy: 0.5015559955317033
Energy: 0.32222980158926534
Energy: 0.7051775002793121
Energy: 0.32220685480141636
Energy: 0.38762795963342217
Energy: 0.32220685479179184
Energy: 0.8144068813156281
Energy: 0.31835490053655285
Energy: 0.38602196114049425
Energy: 0.3183549005413651
Energy: 0.7046268024984742
Energy: 0.31954710402079656
Energy: 0.40954424998105016
Energy: 0.31954710402133124
Energy: 0.8015863367145439
Energy: 0.31870966931584715
Energy: 0.3238888130951121
Energy: 0.31870966931263905
Energy: 0.7531680163773207
Energy: 0.3189783627486672
Energy: 0.32437536943714906
Energy: 0.3189783627529448

minimum gb energy = 0.31656064449056365 eV
minimum distance =  2.59008462948271 Angstroms
sigma value = 85


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

Energy: 0.7984298684753613
Energy: 0.287677206936476
Energy: 0.2873732562400231
Energy: 0.2876782906454507
Energy: 0.7813882317368115
Energy: 0.28737941056447147
Energy: 0.337817842655324
Energy: 0.2873794105649352
Energy: 0.6699973035134219
Energy: 0.288241663830349
Energy: 0.33775055132853804
Energy: 0.288241663828494
Energy: 0.5846799051400191
Energy: 0.2885204656225571
Energy: 0.44009380924548297
Energy: 0.2885204656225571
Energy: 0.7644238602735801
Energy: 0.3755525180662694
Energy: 0.4387279109951836
Energy: 0.3755525180681244
Energy: 0.584802798207123
Energy: 0.3760793935900968
Energy: 0.44394461099552324
Energy: 0.37607939358963305
Energy: 0.5848373489763945
Energy: 0.42331514561945527
Energy: 0.5265967035374535
Energy: 0.42331514561945527
Energy: 0.6632092456170409
Energy: 0.45901523204914485
Energy: 0.4625279749525118
Energy: 0.45901523204497124
Energy: 0.5873545118713046
Energy: 0.45916374530767184
Energy: 0.5281950162849708
Energy: 0.4591637453085993
Energy: 0.5865185283256277
Energy: 0.46480180322933334
Energy: 0.6105481874624836
Energy: 0.46480180322979714
Energy: 0.5278104821346126
Energy: 0.4575457309479364
Energy: 0.5443803476026119
Energy: 0.457545730952089
Energy: 0.5065793671621881
Energy: 0.4569176729444529
Energy: 0.6109426961303852
Energy: 0.4569176729453804
Energy: 0.5285646639868096
Energy: 0.4587532545582778
Energy: 0.627714658780028
Energy: 0.4587532545587416
Energy: 0.43399927284119616
Energy: 0.3406094305590274
Energy: 0.5439294732847357
Energy: 0.3406094305590274
Energy: 0.41330006183606355
Energy: 0.33970994973344343
Energy: 0.6970319143560323
Energy: 0.3397099497329797
Energy: 0.4388076025984529
Energy: 0.3406902403490905
Energy: 0.6277502602389856
Energy: 0.3406902403495543
Energy: 0.3382206274829421
Energy: 0.33322666445423416
Energy: 0.6268129060557189
Energy: 0.33322666445284294
Energy: 0.33874856021634664
Energy: 0.33339962419997243
Energy: 0.7819550874656293
Energy: 0.33339962419579877
Energy: 0.33904963450396325
Energy: 0.33494239457617475
Energy: 0.7129908017467448
Energy: 0.33494239457617475
Energy: 0.31162555479259896
Energy: 0.2880240350099223
Energy: 0.7131057424785376
Energy: 0.288024035012241
Energy: 0.3109900847281555
Energy: 0.28552741991103686
Energy: 0.8051934085609647
Energy: 0.2855274199105732
Energy: 0.3123437761127275
Energy: 0.28730349476562406
Energy: 0.647349434776042
Energy: 0.2873034947651603
Energy: 0.36792100218338514
Energy: 0.28597265248292253
Energy: 0.7373415154030881
Energy: 0.28597265248292253
Energy: 0.36353886424494036
Energy: 0.2871477683493225
Energy: 0.7373019519689078
Energy: 0.2871477683493225
Energy: 0.36228199750203555
Energy: 0.2870600327940747
Energy: 0.5849744225701304
Energy: 0.2870600327945384
Energy: 0.43969937328965325
Energy: 0.41701066221588695
Energy: 0.7583879549685485
Energy: 0.4170106622163507
Energy: 0.43789574924965613
Energy: 0.4172995798998634
Energy: 0.6715089080814424
Energy: 0.4172995798993997
Energy: 0.5223079290143052
Energy: 0.4282843088822925
Energy: 0.5847133242788592
Energy: 0.42828430888182883
Energy: 0.5233390168666631
Energy: 0.42816223253156716
Energy: 0.6950922387858688
Energy: 0.42816223252924845
Energy: 0.523869137138733
Energy: 0.45587807818430937
Energy: 0.5859663591858666
Energy: 0.45587807818199066
Energy: 0.6097973832676566
Energy: 0.45938598984675116
Energy: 0.5060992317514726
Energy: 0.4593859898453599
Energy: 0.5440620496711396
Energy: 0.4630961745465692
Energy: 0.6083207444764244
Energy: 0.4630961745502791
Energy: 0.6099634948770182
Energy: 0.45701168445777857
Energy: 0.5047512128555034
Energy: 0.45701168445777857
Energy: 0.6958724019189904
Energy: 0.4591469938222174
Energy: 0.5047760828354806
Energy: 0.4591469938198987
Energy: 0.5442197389366317
Energy: 0.3768188058905574
Energy: 0.5369713258255953
Energy: 0.37681880589194866
Energy: 0.6957057937015468
Energy: 0.3771171844884552
Energy: 0.4385327442891802
Energy: 0.377117184488919
Energy: 0.7142227002737681
Energy: 0.3753162867324551
Energy: 0.43882607225231235
Energy: 0.37531628673384626
Energy: 0.6269118473836678
Energy: 0.2882345390284846
Energy: 0.3441843368265539
Energy: 0.288234539026166
Energy: 0.781219162028778
Energy: 0.28829230151713564
Energy: 0.338283306746055
Energy: 0.28829230151713564
Energy: 0.7153950034115716
Energy: 0.28833767702953933
Energy: 0.3437370385322624
Energy: 0.288337677030003
Energy: 0.6266959278430896
Energy: 0.28899687923373313
Energy: 0.28731636397339405
Energy: 0.28899687923326944
Energy: 0.8242901524536127
Energy: 0.28753545368739825
Energy: 0.2877826587539869
Energy: 0.2875354536846158
Energy: 0.6694499158802368
Energy: 0.28889932176062294
Energy: 0.2873770790696788
Energy: 0.2888993217578404

minimum gb energy = 0.2855274199105732 eV
minimum distance =  2.5834703402085 Angstroms
sigma value = 113


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

Energy: 0.011786441485577556
Energy: 0.35846350265732607
Energy: 0.9169585568645218
Energy: 0.35846350265732607
Energy: 0.37910048178372946
Energy: 0.06959123634357314
Energy: 0.3802049225086192
Energy: 0.06959123634426634
Energy: 0.012123310481868117
Energy: 0.06813324899606983
Energy: 0.3785029675885005
Energy: 0.06813324899606983
Energy: 0.013203429766081774
Energy: 0.06750740431264989
Energy: 0.583264350735329
Energy: 0.06750740431193689
Energy: 0.3782615475777298
Energy: 0.06886092992489071
Energy: 0.37867026190368874
Energy: 0.06886092992522741
Energy: 0.012169678941733953
Energy: 0.06817394123993016
Energy: 0.3783272515265006
Energy: 0.06817394123993016

minimum gb energy = 0.011786441485577556 eV
minimum distance =  2.81535229800456 Angstroms
sigma value = 1