Model name: model_name=MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_000
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=4.044650763273239
cohesive_energy=3.360264252983419
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.010383043292270081
Energy: 0.01086767754747144
Energy: 0.7158837499939515
Energy: 0.01086767754747144
Energy: 0.01086767754747144
Energy: 0.5098363709757786
Energy: 0.01086767754747144
Energy: 0.5098363709757786
Energy: 0.7158837499939515
Energy: 0.01086767754747144
Energy: 0.010383043292270081
Energy: 0.01086767754747144
Energy: 0.01086767754747144
Energy: 0.5098363709762518
Energy: 0.01086767754747144
Energy: 0.5098363709762518

minimum gb energy = 0.010383043292270081 eV
minimum distance =  2.70790589355468 Angstroms
sigma value = 1


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

Energy: 0.5704306503812506
Energy: 0.5617953089624841
Energy: 0.6005461488924024
Energy: 0.5617953089618765
Energy: 0.559285239092728
Energy: 0.5699743459233781
Energy: 0.5406180102580807
Energy: 0.5699743459233781
Energy: 0.5398563264691163
Energy: 0.5539328606297315
Energy: 0.554010265065537
Energy: 0.5539328606297315
Energy: 0.5431416439204586
Energy: 0.5730309073981198
Energy: 0.5444509691524726
Energy: 0.5730309073975121
Energy: 0.5446223135905034
Energy: 0.5682836741638091
Energy: 0.5569050117156412
Energy: 0.5682836741638091
Energy: 0.5389843581607758
Energy: 0.6250256834699929
Energy: 0.5367644793135455
Energy: 0.6250256834699929
Energy: 0.5608016955160371
Energy: 0.5523550826008048
Energy: 0.539411294205237
Energy: 0.5523550826008048
Energy: 0.5242215625550348
Energy: 0.5659097356656975
Energy: 0.5375404275819772
Energy: 0.5659097356656975
Energy: 0.5440667654222411
Energy: 0.5504549344702089
Energy: 0.5423929193546426
Energy: 0.5504549344689935
Energy: 0.5430385051650801
Energy: 0.5532219809755268
Energy: 0.524794193951603
Energy: 0.553221980974919
Energy: 0.5424865683221858
Energy: 0.5680324704102291
Energy: 0.5441769454572539
Energy: 0.5680324704102291
Energy: 0.5719768255680645
Energy: 0.5657127794571981
Energy: 0.546847517058266
Energy: 0.5657127794578058
Energy: 0.5394558206429914
Energy: 0.5542159698034635
Energy: 0.561214670233606
Energy: 0.5542159698034635
Energy: 0.5519283262624771
Energy: 0.5618769193209976
Energy: 0.5455361182484969
Energy: 0.5618769193209976
Energy: 0.5515378868345104
Energy: 0.5671213518768391
Energy: 0.5483660533204456
Energy: 0.5671213518768391
Energy: 0.5556946174295637
Energy: 0.5618921496847653
Energy: 0.55200102166115
Energy: 0.561892149685373
Energy: 0.5540949740586358
Energy: 0.5538534493027679
Energy: 0.5303280506189514
Energy: 0.5538534493027679
Energy: 0.5405691958536206
Energy: 0.5623794046254637
Energy: 0.5726992857431108
Energy: 0.5623794046254637
Energy: 0.5776340978721701
Energy: 0.5642122798353597
Energy: 0.5464013614933999
Energy: 0.5642122798347522
Energy: 0.5513045769066457
Energy: 0.5502189440038365
Energy: 0.5450664817113631
Energy: 0.5502189440044443
Energy: 0.552915842658505
Energy: 0.5538219006950125
Energy: 0.5294050534267709
Energy: 0.5538219006944048
Energy: 0.5444945969301307
Energy: 0.6360521964438003
Energy: 0.5519914290345579
Energy: 0.636052196444408
Energy: 0.5521833859052038
Energy: 0.5656840346158583
Energy: 0.5340050540652991
Energy: 0.5656840346158583
Energy: 0.5491332183800195
Energy: 0.5535450237942295
Energy: 0.5390439921778385
Energy: 0.5535450237936219
Energy: 0.5393485566934446
Energy: 0.6279632669634905
Energy: 0.5612827538114308
Energy: 0.6279632669634905
Energy: 0.5468802634096018
Energy: 0.5657941122613076
Energy: 0.5453649546411712
Energy: 0.5657941122607001
Energy: 0.5567408954955774
Energy: 0.6220642622953803
Energy: 0.5440712377448383
Energy: 0.6220642622953803
Energy: 0.5360243810862637
Energy: 0.5521664264141293
Energy: 0.5596756806376461
Energy: 0.5521664264135215
Energy: 0.5589408721371856
Energy: 0.5676792309762609
Energy: 0.5511338280244718
Energy: 0.5676792309756533
Energy: 0.5814484518363756
Energy: 0.5624509424753462
Energy: 0.5760836110145331
Energy: 0.5624509424753462
Energy: 0.5545462367538073
Energy: 0.5605589991107979
Energy: 0.539429901590561
Energy: 0.5605589991107979
Energy: 0.544442176612555
Energy: 0.556545786120912
Energy: 0.5519836261420283
Energy: 0.5565457861215197
Energy: 0.5446794322496404
Energy: 0.5755851634685633
Energy: 0.5460670984529634
Energy: 0.5755851634691708

minimum gb energy = 0.5242215625550348 eV
minimum distance =  2.57805759620465 Angstroms
sigma value = 1


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

Energy: 0.5947284854793513
Energy: 0.6040240875065743
Energy: 0.6100417692330639
Energy: 0.6040240875051888
Energy: 0.5746398979388304
Energy: 0.5948004015812948
Energy: 0.5581076955032552
Energy: 0.5948004015833731
Energy: 0.5696198220171799
Energy: 0.606912305436349
Energy: 0.5690766002246991
Energy: 0.606912305436349
Energy: 0.5600864405828772
Energy: 0.6035651709710972
Energy: 0.5609183235970816
Energy: 0.6035651709704043
Energy: 0.5597934641897891
Energy: 0.5898834867731625
Energy: 0.5786784899446034
Energy: 0.5898834867731625
Energy: 0.6015999780983731
Energy: 0.5901155775973325
Energy: 0.5623201460226339
Energy: 0.5901155775987181
Energy: 0.5747749641513937
Energy: 0.6345713570459908
Energy: 0.57017423032923
Energy: 0.6345713570439123
Energy: 0.5456622079805911
Energy: 0.6049321586782256
Energy: 0.562077147506365
Energy: 0.6049321586782256
Energy: 0.5597879981480617
Energy: 0.6960104237455266
Energy: 0.5475178220657806
Energy: 0.6960104237455266
Energy: 0.5713008060857436
Energy: 0.604867974353868
Energy: 0.5785627437580582
Energy: 0.6048679743524824
Energy: 0.5745509813147341
Energy: 0.5859157164529553
Energy: 0.5582268156468138
Energy: 0.585915716453648
Energy: 0.5524744066398144
Energy: 0.5963013154796591
Energy: 0.5692467719550445
Energy: 0.5963013154803521
Energy: 0.580411011600426
Energy: 0.5875330826702003
Energy: 0.5763447034944127
Energy: 0.5875330826702003
Energy: 0.580258334375658
Energy: 0.5875304587279689
Energy: 0.5834254791622041
Energy: 0.5875304587286617
Energy: 0.5525858169952566
Energy: 0.5963158187896807
Energy: 0.5713662448826475
Energy: 0.5963158187903735
Energy: 0.574586060691133
Energy: 0.585922037651244
Energy: 0.5697852728855033
Energy: 0.5859220376533225
Energy: 0.5694474066897819
Energy: 0.6048858822534982
Energy: 0.6057313450709911
Energy: 0.6048858822528053
Energy: 0.559678332113525
Energy: 0.6732168984567863
Energy: 0.5476188273485254
Energy: 0.6732168985731504
Energy: 0.5456553747376324
Energy: 0.6065942513261735
Energy: 0.5641532505085449
Energy: 0.6065942513275592
Energy: 0.5745814510677691
Energy: 0.6355188100737551
Energy: 0.5581068972429885
Energy: 0.6355188100751408
Energy: 0.6009033377818689
Energy: 0.5898049311038805
Energy: 0.5716681058009407
Energy: 0.5898049311024949
Energy: 0.5596693488059075
Energy: 0.5898736914586988
Energy: 0.5644536735660418
Energy: 0.5898736914593915
Energy: 0.5599332341250658
Energy: 0.6035631916341836
Energy: 0.5689481839846259
Energy: 0.6035631916341836
Energy: 0.5696482811063321
Energy: 0.6067262656033766
Energy: 0.5712891880812415
Energy: 0.6067262656026837
Energy: 0.5746950474471365
Energy: 0.5949561649776826
Energy: 0.5580651379440684
Energy: 0.5949561649797611
Energy: 0.5947284854786585
Energy: 0.6040240875058814
Energy: 0.6603274130764363
Energy: 0.6040240875051888
Energy: 0.5746398979388304
Energy: 0.5948004015812948
Energy: 0.5581076955032552
Energy: 0.5948004015833731
Energy: 0.5696198220164869
Energy: 0.606912305436349
Energy: 0.5690766002246991
Energy: 0.606912305436349
Energy: 0.5600864405835702
Energy: 0.6035651709710972
Energy: 0.5582371805227349
Energy: 0.6035651709704043

minimum gb energy = 0.5456553747376324 eV
minimum distance =  2.52432946012999 Angstroms
sigma value = 25


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

Energy: 0.6133243934772388
Energy: 0.6264421971465512
Energy: 0.6452165799440361
Energy: 0.6264421971465512
Energy: 0.5800610426317392
Energy: 0.6276229665867366
Energy: 0.5875733671247052
Energy: 0.6276229665867366
Energy: 0.5783228347143402
Energy: 0.652549855749658
Energy: 0.5898890001771361
Energy: 0.652549855749658
Energy: 0.5878243651433906
Energy: 0.6439551596464543
Energy: 0.5790943766898771
Energy: 0.6439551596464543
Energy: 0.5800327220220957
Energy: 0.6282947613737434
Energy: 0.5825173593328927
Energy: 0.6282947613737434
Energy: 0.6309567935248833
Energy: 0.6536476914850802
Energy: 0.5940518908165028
Energy: 0.6536476914850802
Energy: 0.5786926064950598
Energy: 0.6740824129048066
Energy: 0.5934988431951401
Energy: 0.6740824129048066
Energy: 0.681366412644983
Energy: 0.6281421142027876
Energy: 0.5709681661024233
Energy: 0.6281421142027876
Energy: 0.5935017648549962
Energy: 0.609211927371206
Energy: 0.578833571994496
Energy: 0.609211927371206
Energy: 0.6135266054946129
Energy: 0.6543691458432199
Energy: 0.5759221068975038
Energy: 0.6543691458432199
Energy: 0.5793749846231043
Energy: 0.6257009003380712
Energy: 0.5856299425664796
Energy: 0.6257009003372658
Energy: 0.5996048851546117
Energy: 0.6265361139642133
Energy: 0.5856814674541727
Energy: 0.6265361139642133
Energy: 0.5896153191460519
Energy: 0.6451590383957738
Energy: 0.5758088998365986
Energy: 0.6451590383957738
Energy: 0.5938506987000464
Energy: 0.6405497032108416
Energy: 0.5803315116187739
Energy: 0.6405497032108416
Energy: 0.5843632481573284
Energy: 0.6287210893254139
Energy: 0.5698883034565236
Energy: 0.6287210893254139
Energy: 0.5784732207514035
Energy: 0.5893289603411647
Energy: 0.580971946365688
Energy: 0.5893289603411647
Energy: 0.569616658839161
Energy: 0.6525143114208988
Energy: 0.5671978843002139
Energy: 0.6525143114208988
Energy: 0.5789800596438676
Energy: 0.6151590484485511
Energy: 0.580539768479561
Energy: 0.6151590484485511
Energy: 0.57772213467713
Energy: 0.644898917977014
Energy: 0.5795806012708591
Energy: 0.6448989179762087
Energy: 0.5958769962875828
Energy: 0.6533279013911563
Energy: 0.5881997512118546
Energy: 0.6533279013911563
Energy: 0.5913972622761428
Energy: 0.6272643417266459
Energy: 0.5857896296582976
Energy: 0.6272643417266459
Energy: 0.6118832845452533
Energy: 0.6276191280602751
Energy: 0.6389537198990739
Energy: 0.6276191280602751
Energy: 0.5787195300312644
Energy: 0.6150645650079134
Energy: 0.5861501383876694
Energy: 0.6150645650079134
Energy: 0.579011502480162
Energy: 0.6517165759979713
Energy: 0.6137973580294287
Energy: 0.6517165759979713
Energy: 0.5860024240253725
Energy: 0.6243141142777439
Energy: 0.5788731247870479
Energy: 0.6243141142777439

minimum gb energy = 0.5671978843002139 eV
minimum distance =  2.52749263648666 Angstroms
sigma value = 9


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

Energy: 0.6368892155418477
Energy: 0.6950625564259322
Energy: 0.7424395319187221
Energy: 0.6950625564259322
Energy: 0.6241746328852723
Energy: 0.6613418303736398
Energy: 0.6036225765958527
Energy: 0.661341830372679
Energy: 0.5908579548872146
Energy: 0.6835622403363342
Energy: 0.6030715530092899
Energy: 0.6835622403363342
Energy: 0.5972556230918598
Energy: 0.6998394908900802
Energy: 0.5960804252515413
Energy: 0.6998394908900802
Energy: 0.63257224409428
Energy: 0.645736406916181
Energy: 0.5982729371188831
Energy: 0.645736406916181
Energy: 0.5973887334907166
Energy: 0.6860572192194259
Energy: 0.6099928492501442
Energy: 0.6860572192194259
Energy: 0.5964863469143225
Energy: 0.5948984361852832
Energy: 0.595450797755241
Energy: 0.5948984361852832
Energy: 0.6296689301630548
Energy: 0.6860268903186811
Energy: 0.6093536792371244
Energy: 0.6860268903177206
Energy: 0.5963713668825571
Energy: 0.6469482515166143
Energy: 0.611563525223481
Energy: 0.6469482515166143
Energy: 0.5963580777572473
Energy: 0.6953765118533349
Energy: 0.5974091487990125
Energy: 0.6953765118533349
Energy: 0.5964070535837089
Energy: 0.6812173856022079
Energy: 0.6094700866807047
Energy: 0.6812173856012472
Energy: 0.5973932978395378
Energy: 0.6580599080190498
Energy: 0.6096349139813149
Energy: 0.6580599080200106
Energy: 0.599081159273123
Energy: 0.6842319833359567
Energy: 0.6181182446624818
Energy: 0.6842319833369175
Energy: 0.623664824391577
Energy: 0.6712702230694577
Energy: 0.5970442524991182
Energy: 0.671270223068497
Energy: 0.5991157648056094
Energy: 0.685893465890865
Energy: 0.6336970535684827
Energy: 0.685893465890865
Energy: 0.5969862917342657
Energy: 0.695304739360805
Energy: 0.5961715668228258
Energy: 0.6953047393617657
Energy: 0.6276748316205079
Energy: 0.6721725388150303
Energy: 0.6030570076038921
Energy: 0.6721725388140696
Energy: 0.6091052527825055
Energy: 0.6957245230522427
Energy: 0.5982009849534593
Energy: 0.6957245230522427
Energy: 0.6096394545773023
Energy: 0.6452255739094417
Energy: 0.6036092359320311
Energy: 0.6452255739094417
Energy: 0.6569246954788429
Energy: 0.6839813068913551
Energy: 0.6099195755186441
Energy: 0.6839813068903943
Energy: 0.5962296542977432
Energy: 0.6631140966966521
Energy: 0.609992086009515
Energy: 0.6631140966966521

minimum gb energy = 0.5908579548872146 eV
minimum distance =  2.57151936444696 Angstroms
sigma value = 25


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

Energy: 0.6030415798957275
Energy: 0.7081756118648794
Energy: 0.7112833664421326
Energy: 0.7081756118636913
Energy: 0.5929311976051009
Energy: 0.6023783082738611
Energy: 0.588089148817089
Energy: 0.6023783082702964
Energy: 0.5880758436489243
Energy: 0.658366014780635
Energy: 0.5951046362945667
Energy: 0.6583660146939238
Energy: 0.6033234103171419
Energy: 0.658669038635841
Energy: 0.6848070211170975
Energy: 0.658669038635841
Energy: 0.6822125254828214
Energy: 0.5928098744644708
Energy: 0.6125889155227201
Energy: 0.5928098744644708
Energy: 0.5901730721686503
Energy: 0.7334425654176487
Energy: 0.5889041240251903
Energy: 0.7334425654164605
Energy: 0.5883086396956533
Energy: 0.6570761889479535
Energy: 0.5876580667980403
Energy: 0.6570761889479535
Energy: 0.6858152876185757
Energy: 0.7087510466521081
Energy: 0.603234772887074
Energy: 0.7087510466521081
Energy: 0.5949919175765768
Energy: 0.6597363623696112
Energy: 0.5930688131750237
Energy: 0.659736362368423
Energy: 0.6858809431007593
Energy: 0.6733551128008053
Energy: 0.5899170172615094
Energy: 0.6733551128008053
Energy: 0.6081423001985251
Energy: 0.7081584817251638
Energy: 0.7741692457288959
Energy: 0.7081584817251638
Energy: 0.5882585610407168
Energy: 0.6072128786380951
Energy: 0.6910176898047659
Energy: 0.6072128786380951
Energy: 0.6778995290590946
Energy: 0.6731179690675969
Energy: 0.5875867230791767
Energy: 0.6731179690675969
Energy: 0.5878072815019557
Energy: 0.6630429635333681
Energy: 0.6035584126054835
Energy: 0.6630429635333681
Energy: 0.6018885554838549
Energy: 0.7077631331443103
Energy: 0.6802362457676217
Energy: 0.7077631331443103
Energy: 0.5953326152676647
Energy: 0.6730937180358924
Energy: 0.5903321341391214
Energy: 0.6730937180358924
Energy: 0.5951033807259761
Energy: 0.6257870047239378
Energy: 0.6867914474776101
Energy: 0.6257870047239378

minimum gb energy = 0.5875867230791767 eV
minimum distance =  2.61544662887213 Angstroms
sigma value = 17


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

Energy: 0.659022536821771
Energy: 0.6592406178383322
Energy: 0.7954546820638282
Energy: 0.6592406178369863
Energy: 0.6847174422999512
Energy: 0.6290001286486174
Energy: 0.6006765415283988
Energy: 0.6290001286479444
Energy: 0.6899586624340529
Energy: 0.6596515138071886
Energy: 0.6043303741867064
Energy: 0.6596515138071886
Energy: 0.5999248955500872
Energy: 0.6068158355463026
Energy: 0.6490614268624276
Energy: 0.6068158355281333
Energy: 0.7028675544092575
Energy: 0.6745874732808738
Energy: 0.6009832491373914
Energy: 0.6745874732815468
Energy: 0.6044611145415273
Energy: 0.6131933426461114
Energy: 0.6852030979711244
Energy: 0.6131933426467844
Energy: 0.6013607650746626
Energy: 0.6545937076316776
Energy: 0.6044359692561139
Energy: 0.6545937076316776
Energy: 0.6839264203808795
Energy: 0.6041603090857293
Energy: 0.6055462069521061
Energy: 0.6041603090843833
Energy: 0.6045723209673137
Energy: 0.6767778688245539
Energy: 0.69875422810492
Energy: 0.6767778688245539
Energy: 0.7489594847532407
Energy: 0.6390035865368855
Energy: 0.6026111024118515
Energy: 0.6390035865315021
Energy: 0.6006585796291616
Energy: 0.6053971295919067
Energy: 0.6917729913721301
Energy: 0.6053971295919067
Energy: 0.6051430528234876
Energy: 0.6529193570780987
Energy: 0.6056430878074629
Energy: 0.6529193570774258
Energy: 0.685487215630689
Energy: 0.605045989464012
Energy: 0.6044854010556003
Energy: 0.605045989464012
Energy: 0.6023417443561461
Energy: 0.7107448945895102
Energy: 0.6888013896735172
Energy: 0.7107448945901831
Energy: 0.6520383700328752
Energy: 0.654326871929681
Energy: 0.6053359063842995
Energy: 0.654326871929681
Energy: 0.7022603603275395
Energy: 0.6044452185379038
Energy: 0.6993501051062305
Energy: 0.6044452185385768
Energy: 0.6043686973887155
Energy: 0.641990224254171
Energy: 0.735514507842387
Energy: 0.6419902242548439
Energy: 0.6841089677674793
Energy: 0.601579402663418
Energy: 0.6043800773733744
Energy: 0.601579402686298
Energy: 0.6086084746300771
Energy: 0.6582267467803792
Energy: 0.6463996301565368
Energy: 0.6582267467817251
Energy: 0.6004779544682517
Energy: 0.7070910887254901
Energy: 0.5999714688049768
Energy: 0.7070910887254901
Energy: 0.6491402308672038
Energy: 0.6595723308198194
Energy: 0.6904839767812347
Energy: 0.6595723308191465
Energy: 0.6016170993227484
Energy: 0.6886425061425024
Energy: 0.7470741443845424
Energy: 0.6886425061425024
Energy: 0.69714416366067
Energy: 0.660432821257806
Energy: 0.5988771963146899
Energy: 0.660432821257806
Energy: 0.6037787339073253
Energy: 0.6560205786888088
Energy: 0.6834734152973015
Energy: 0.6560205786894817
Energy: 0.6039120063451113
Energy: 0.6578029820859763
Energy: 0.6842743034930026
Energy: 0.6578029820859763
Energy: 0.6961195342459131
Energy: 0.6046055972946823
Energy: 0.5994172846167779
Energy: 0.6046055967579235
Energy: 0.6008921630431973
Energy: 0.6891208684939695
Energy: 0.7551875940304181
Energy: 0.6891208684946425
Energy: 0.6877074081509718
Energy: 0.6132518543919355
Energy: 0.690969330585265
Energy: 0.6132518543919355
Energy: 0.7285549426553432
Energy: 0.7069684666656754
Energy: 0.6011679750519168
Energy: 0.7069684666656754
Energy: 0.6046199108349931
Energy: 0.6780014579981686
Energy: 0.6846613726563174
Energy: 0.6780014579981686

minimum gb energy = 0.5988771963146899 eV
minimum distance =  2.49405027306612 Angstroms
sigma value = 53


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

Energy: 0.5520431685314536
Energy: 0.5522407361263619
Energy: 0.768761716720265
Energy: 0.5522407361263619
Energy: 0.6844706167888825
Energy: 0.6007146532352599
Energy: 0.5964887312759264
Energy: 0.6007146532352599
Energy: 0.5527538122469003
Energy: 0.5525513384207029
Energy: 0.6652759925735752
Energy: 0.5525513384222522
Energy: 0.5525895489652218
Energy: 0.5525410116390923
Energy: 0.6455260176060089
Energy: 0.5525410116406416
Energy: 0.6773600943010828
Energy: 0.6007084302884648
Energy: 0.5965173585354703
Energy: 0.6007084302884648
Energy: 0.5520431685314536
Energy: 0.5522407361263619
Energy: 0.8052779129281169
Energy: 0.5522407361279112
Energy: 0.6844706167888825
Energy: 0.6007146532352599
Energy: 0.686634191549669
Energy: 0.6007146532352599
Energy: 0.5527538122469003
Energy: 0.5525513384222522
Energy: 0.6652759925735752
Energy: 0.5525513384207029
Energy: 0.5525895489652218
Energy: 0.5525410116390923
Energy: 0.6865840988503521
Energy: 0.5525410116390923
Energy: 0.6773600937095287
Energy: 0.6007084302884648
Energy: 0.6598191493109724
Energy: 0.6007084302884648
Energy: 0.5520431685330028
Energy: 0.5522407361263619
Energy: 0.8052779129281169
Energy: 0.5522407361263619
Energy: 0.6844706167888825
Energy: 0.6007146532352599
Energy: 0.686634191549669
Energy: 0.6007146532352599
Energy: 0.5527538122469003
Energy: 0.5525513384222522
Energy: 0.6652759925735752
Energy: 0.5525513384207029

minimum gb energy = 0.5520431685314536 eV
minimum distance =  2.60571148037405 Angstroms
sigma value = 9


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

Energy: 0.6202074302516035
Energy: 0.6294651669945837
Energy: 0.7834127400183127
Energy: 0.6294651669951571
Energy: 0.7508319464881186
Energy: 0.650117629185417
Energy: 0.6337286873251196
Energy: 0.6501176291859904
Energy: 0.62769853863676
Energy: 0.6143629610435964
Energy: 0.6379322111819251
Energy: 0.6143629610435964
Energy: 0.7027459428659839
Energy: 0.7306083258471563
Energy: 0.6366798431877623
Energy: 0.7306083258471563
Energy: 0.6932344403087398
Energy: 0.6413197338569999
Energy: 0.6331900339801881
Energy: 0.6413197338569999
Energy: 0.6143548184847131
Energy: 0.6140655649462333
Energy: 0.724401958277665
Energy: 0.6140655649462333
Energy: 0.8200260764713038
Energy: 0.6382378822184835
Energy: 0.6369827458262245
Energy: 0.6382378822196304
Energy: 0.6295451666039118
Energy: 0.7276306869905454
Energy: 0.6874165449784378
Energy: 0.727630686989972
Energy: 0.6292968358565475
Energy: 0.7321522656233607
Energy: 0.6214968020665477
Energy: 0.7321522656233607
Energy: 0.6273878604896129
Energy: 0.6425930636787622
Energy: 0.6282791280731362
Energy: 0.6425930636781889
Energy: 0.6349594805536778
Energy: 0.7233667796446581
Energy: 0.8258957048391672
Energy: 0.7233667796446581
Energy: 0.7195877259210642
Energy: 0.7604158617132425
Energy: 0.6351288686441247
Energy: 0.7604158617138158
Energy: 0.6347693398365428
Energy: 0.6792476675430374
Energy: 0.7270865576239933
Energy: 0.6792476675436108
Energy: 0.7239362043027354
Energy: 0.7237060027412106
Energy: 0.6246835620971827
Energy: 0.7237060027412106
Energy: 0.6364464919147438
Energy: 0.6884270111869678
Energy: 0.6506851016898577
Energy: 0.6884270111875411
Energy: 0.6360645644761351
Energy: 0.7322611528728027
Energy: 0.7138067795834767
Energy: 0.7322611528728027
Energy: 0.6502399264728345
Energy: 0.6884316245921946
Energy: 0.6368652018327938
Energy: 0.688431624592768
Energy: 0.6370296885827857
Energy: 0.6383390147760876
Energy: 0.7563249021038313
Energy: 0.6383390147760876
Energy: 0.6984757868987218
Energy: 0.6796931205792164
Energy: 0.6159136936741195
Energy: 0.6796931205797898
Energy: 0.6358992374179595
Energy: 0.6494459930844512
Energy: 0.6948104997410341
Energy: 0.6494459930844512
Energy: 0.6868483069822554
Energy: 0.7322477667210348
Energy: 0.687914292490285
Energy: 0.7322477667210348
Energy: 0.6515603165119732
Energy: 0.6822310977590497
Energy: 0.6300899020232189
Energy: 0.6822310977585022
Energy: 0.6219207427652484
Energy: 0.6789077367132796
Energy: 0.6315667322241436
Energy: 0.6789077367138531
Energy: 0.7793332353780436
Energy: 0.6836079659520374
Energy: 0.630034989869774
Energy: 0.6836079659526109
Energy: 0.6356040579291362
Energy: 0.7605810058168168
Energy: 0.7871691846780388
Energy: 0.7605810058168168
Energy: 0.6796957040167559
Energy: 0.6145454645729476
Energy: 0.6292590341108023
Energy: 0.6145454645723741
Energy: 0.6467261670672214
Energy: 0.6523082859642885
Energy: 0.7098106597094
Energy: 0.6523082859631417
Energy: 0.6297157025166148
Energy: 0.7222254650684916
Energy: 0.7223494588661731
Energy: 0.7222254650684916
Energy: 0.6785500252621018
Energy: 0.6143413408522043
Energy: 0.6283446554089861
Energy: 0.6143413408527776
Energy: 0.6341677331510149
Energy: 0.7903873622169837
Energy: 0.7821738562314179
Energy: 0.7903873622169837
Energy: 0.7761099304986865
Energy: 0.7234100735996529
Energy: 0.6289812690656149
Energy: 0.7234100736002262
Energy: 0.6249992408628583
Energy: 0.6429818995939277
Energy: 0.6294270739050369
Energy: 0.642981899594501
Energy: 0.62724676838163
Energy: 0.6817641544046918
Energy: 0.6279254150316197
Energy: 0.6817641544041185
Energy: 0.6851003855982505
Energy: 0.7233036123451018
Energy: 0.7135860800168827
Energy: 0.7233036123456751
Energy: 0.6448194162834667
Energy: 0.691798087737144
Energy: 0.824705832100108
Energy: 0.6917980877365707

minimum gb energy = 0.6140655649462333 eV
minimum distance =  2.5564245145103 Angstroms
sigma value = 73


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

Energy: 0.6637598872888751
Energy: 0.6257920317141621
Energy: 0.7859848591584863
Energy: 0.6257920317141621
Energy: 0.6351849939666588
Energy: 0.6564028326962209
Energy: 0.6294230172597133
Energy: 0.6564028326962209
Energy: 0.6339798390486374
Energy: 0.6199167621011391
Energy: 0.6196868540733746
Energy: 0.6199167621020489
Energy: 0.6385579779544397
Energy: 0.6279397125588521
Energy: 0.647464182456887
Energy: 0.6279397125588521
Energy: 0.685462691829822
Energy: 0.6587996609492135
Energy: 0.6349783028381979
Energy: 0.6587996609492135
Energy: 0.6375819432938606
Energy: 0.621079462078795
Energy: 0.7827646656969758
Energy: 0.621079462078795
Energy: 0.8313956487843815
Energy: 0.7051986826851933
Energy: 0.6408594064918164
Energy: 0.7051986826851933
Energy: 0.6323441002257596
Energy: 0.6147064221249879
Energy: 0.7082638832783894
Energy: 0.6147064221249879
Energy: 0.840000296917594
Energy: 0.616545872099711
Energy: 0.6168444621401594
Energy: 0.616545872099711
Energy: 0.6358456974355517
Energy: 0.6597668759055411
Energy: 0.6303914485953456
Energy: 0.6597668759055411
Energy: 0.6289662278360363
Energy: 0.6166828913775214
Energy: 0.7668193263841712
Energy: 0.6166828913775214
Energy: 0.7490641445281839
Energy: 0.6268426250254217
Energy: 0.6398091688242757
Energy: 0.6268426250263313
Energy: 0.6374545202803571
Energy: 0.6495181097782983
Energy: 0.87813279653856
Energy: 0.6495181097782983
Energy: 0.7794623067347125
Energy: 0.6859216937272816
Energy: 0.6505861797120119
Energy: 0.6859216937272816
Energy: 0.6341206704143897
Energy: 0.6653223644479829
Energy: 0.7466118990049736
Energy: 0.6653223644470733
Energy: 0.7747468509858643
Energy: 0.6159325447765672
Energy: 0.6337324537525095
Energy: 0.6159325447765672
Energy: 0.6676903283859915
Energy: 0.6796927376940062
Energy: 0.6339166121892794
Energy: 0.6796927376940062
Energy: 0.6662163368670405
Energy: 0.6793931626410744
Energy: 0.6404788215646529
Energy: 0.6793931626410744
Energy: 0.7133643412448203
Energy: 0.6145283020128323
Energy: 0.6323273122141825
Energy: 0.6145283020128323
Energy: 0.6416951896852973
Energy: 0.6885798227586464
Energy: 0.8007622244864298
Energy: 0.6885798227586464
Energy: 0.7706523907682974
Energy: 0.6208761836831695
Energy: 0.6382953008414463
Energy: 0.6208761836831695
Energy: 0.6471349446191965
Energy: 0.6555552072674361
Energy: 0.7145330609834661
Energy: 0.6555552072674361

minimum gb energy = 0.6145283020128323 eV
minimum distance =  2.54586063266393 Angstroms
sigma value = 7


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

Energy: 0.6311462516988415
Energy: 0.6307840853071678
Energy: 0.790538085799391
Energy: 0.6307840853071678
Energy: 0.8028238116761338
Energy: 0.6545981423885318
Energy: 0.6184919634806545
Energy: 0.6545981423878884
Energy: 0.6248499079683928
Energy: 0.63138498452058
Energy: 0.6419479617786329
Energy: 0.6313849845218666
Energy: 0.6565133983518693
Energy: 0.6601988320952586
Energy: 0.628242552007007
Energy: 0.6601988320946154
Energy: 0.6246264115152785
Energy: 0.6492653826810317
Energy: 0.6249828902489931
Energy: 0.6492653826810317
Energy: 0.6251297631705185
Energy: 0.6319160264475521
Energy: 0.7860003699037134
Energy: 0.6319160264481954
Energy: 0.7309535384015571
Energy: 0.6922291523068975
Energy: 0.6504647637846004
Energy: 0.6922291523068975
Energy: 0.6250103724221213
Energy: 0.6313570561194941
Energy: 0.8258094517807669
Energy: 0.6313570561188507
Energy: 0.7247822994238741
Energy: 0.6556554480973933
Energy: 0.6271410698168632
Energy: 0.6556554480967499
Energy: 0.6249415736900807
Energy: 0.6656372362901288
Energy: 0.7029132102605721
Energy: 0.6656372362901288
Energy: 0.6569178283792663
Energy: 0.7084024496821354
Energy: 0.6559129377620019
Energy: 0.7084024496814921
Energy: 0.6309764344902018
Energy: 0.6493361973451963
Energy: 0.6557883395434606
Energy: 0.649336197344553
Energy: 0.6335983212249815
Energy: 0.6321424538965635
Energy: 0.6544323044185727
Energy: 0.6321424538946336
Energy: 0.6573669331896842
Energy: 0.6283076459737968
Energy: 0.64432146704083
Energy: 0.6283076459731536
Energy: 0.6169633244625606
Energy: 0.6597422019701562
Energy: 0.7553063129874205
Energy: 0.6597422019695129
Energy: 0.8244415015097998
Energy: 0.6280280051514671
Energy: 0.6314970244836255
Energy: 0.6280280051514671
Energy: 0.6384101781526262
Energy: 0.6482908899126799
Energy: 0.7019846842343287
Energy: 0.6482908899113934
Energy: 0.624906916943454
Energy: 0.6253335523505189
Energy: 0.6438277696945538
Energy: 0.6253335523511621
Energy: 0.6381128018348806
Energy: 0.7076412428895279
Energy: 0.6509630412290286
Energy: 0.707641242887598
Energy: 0.6167475594142771
Energy: 0.6530072757710116
Energy: 0.6313035483668854
Energy: 0.6530072757729415
Energy: 0.6391283726541054
Energy: 0.7091461721465924
Energy: 0.6269586682164068
Energy: 0.7091461721465924
Energy: 0.6246349676262227
Energy: 0.6318569940008375
Energy: 0.6443557295511163
Energy: 0.6318569940008375
Energy: 0.7426342981520362
Energy: 0.6561872773765157
Energy: 0.6557729253458721
Energy: 0.6561872773765157
Energy: 0.6314077835903955
Energy: 0.6311643465474329
Energy: 0.8150757372358387
Energy: 0.6311643465467897
Energy: 0.63108084013072
Energy: 0.6523709085091176
Energy: 0.6502842423833299
Energy: 0.6523709085078311
Energy: 0.6378329996984403
Energy: 0.6582215709250968
Energy: 0.6497425491690905
Energy: 0.6582215709250968
Energy: 0.6244864021887211
Energy: 0.6625014087689104
Energy: 0.6904360291513065
Energy: 0.6625014087663372
Energy: 0.6585449136405924
Energy: 0.6484030366271276
Energy: 0.6278551921106184
Energy: 0.6484030366290575
Energy: 0.6282531769196779
Energy: 0.6311116034118356
Energy: 0.7657089728379685
Energy: 0.6311116034124788
Energy: 0.681049183947106
Energy: 0.6453352570325664
Energy: 0.6650511301616335
Energy: 0.6453352570325664
Energy: 0.628256063829512
Energy: 0.6311633628668081
Energy: 0.756114866718057
Energy: 0.6311633628680947

minimum gb energy = 0.6167475594142771 eV
minimum distance =  2.54211669257626 Angstroms
sigma value = 29


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

Energy: 0.5940501266173315
Energy: 0.5810528715304806
Energy: 0.7042953210777545
Energy: 0.5810528715304806
Energy: 0.659494728046364
Energy: 0.5718356304429961
Energy: 0.5729595183890184
Energy: 0.571835630442797
Energy: 0.5657428892786882
Energy: 0.6090009456921137
Energy: 0.6582692416036965
Energy: 0.6090009456921137
Energy: 0.593714680803791
Energy: 0.5927465614622116
Energy: 0.6726858900103219
Energy: 0.5927465614619876
Energy: 0.5943276820425427
Energy: 0.5922477737571255
Energy: 0.6938819086121522
Energy: 0.5922477737571255
Energy: 0.5811073103592139
Energy: 0.609076002183615
Energy: 0.5811289939187334
Energy: 0.609076002183615
Energy: 0.5653965176322586
Energy: 0.5923481939240802
Energy: 0.5943284445013166
Energy: 0.5923481939238809
Energy: 0.6719201278888238
Energy: 0.5928565126282193
Energy: 0.5936926534794433
Energy: 0.5928565126288666
Energy: 0.6582251470368082
Energy: 0.6090042729978697
Energy: 0.6043536364929002
Energy: 0.6090042729978697

minimum gb energy = 0.5653965176322586 eV
minimum distance =  2.59984868575078 Angstroms
sigma value = 5


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

Energy: 0.5940116589210509
Energy: 0.5917041599617668
Energy: 0.7131071891124252
Energy: 0.5917041599611591
Energy: 0.6021642070026951
Energy: 0.5866130720002175
Energy: 0.5913690123479218
Energy: 0.5866130720002175
Energy: 0.5818743753636383
Energy: 0.5879118784025796
Energy: 0.6954121305008241
Energy: 0.5879118784025796
Energy: 0.5947372165192991
Energy: 0.6144079138690394
Energy: 0.5870365290097787
Energy: 0.6144079138690394
Energy: 0.5860815390396085
Energy: 0.6172962941226589
Energy: 0.680380270066915
Energy: 0.6172962941220512
Energy: 0.6176203611137259
Energy: 0.5922312659091263
Energy: 0.5811052846696623
Energy: 0.5922312659085186
Energy: 0.5839804629651407
Energy: 0.6157040475607863
Energy: 0.5922524629798745
Energy: 0.6157040475607863
Energy: 0.5798363898882
Energy: 0.5921773544030613
Energy: 0.5834478684220843
Energy: 0.5921773544036688
Energy: 0.5831231303761627
Energy: 0.6161631465668447
Energy: 0.590601576672813
Energy: 0.6161631465662372
Energy: 0.5830022294258194
Energy: 0.615970030880646
Energy: 0.6026973033744659
Energy: 0.615970030880646
Energy: 0.5924162673723751
Energy: 0.6149030589140744
Energy: 0.588011930248446
Energy: 0.6149030589140744
Energy: 0.5875993809339785
Energy: 0.6180991713690805
Energy: 0.5931862586046189
Energy: 0.6180991713678652
Energy: 0.6187250877758937
Energy: 0.5917639095559203
Energy: 0.5938156119868491
Energy: 0.5917639095559203
Energy: 0.5919084493727497
Energy: 0.593004734855454
Energy: 0.6034118889653988
Energy: 0.5930047348560616
Energy: 0.730752833259539
Energy: 0.5814062439762289
Energy: 0.587940727736265
Energy: 0.5814062439762289
Energy: 0.5832366066934753
Energy: 0.5880625607976818
Energy: 0.7028818814359461
Energy: 0.5880625607976818
Energy: 0.6338095561568333
Energy: 0.588540290227471
Energy: 0.5920624971201564
Energy: 0.5885402902268634
Energy: 0.5862227030063529
Energy: 0.5919314684991052
Energy: 0.7572075916845035
Energy: 0.5919314684997129
Energy: 0.6691805442834902
Energy: 0.6172936600693621
Energy: 0.5787575875347412
Energy: 0.6172936600693621
Energy: 0.583433708262914
Energy: 0.644994041051725
Energy: 0.5847538808016338
Energy: 0.6449940410511174
Energy: 0.5928030566302774
Energy: 0.6129586652933714
Energy: 0.587044273298707
Energy: 0.6129586652933714
Energy: 0.594452659065479
Energy: 0.6159399894547436
Energy: 0.5830536513864933
Energy: 0.6159399894547436
Energy: 0.5894242775353357
Energy: 0.5926732909870863
Energy: 0.5965857635043434
Energy: 0.592673290987694
Energy: 0.5917150318172277
Energy: 0.6176156477687774
Energy: 0.5905210029606686
Energy: 0.6176156477693574
Energy: 0.59712518361154
Energy: 0.5924418124613006
Energy: 0.5890750474414934
Energy: 0.5924418124613006
Energy: 0.5966498623964734
Energy: 0.5927053113618997
Energy: 0.585978104364241
Energy: 0.5927053113612921
Energy: 0.5832464245243625
Energy: 0.5785512397810164
Energy: 0.6119010582968593
Energy: 0.578551239779801
Energy: 0.7093869001991014
Energy: 0.6153318153714088
Energy: 0.5833524278714741
Energy: 0.6153318153689782
Energy: 0.5923067303540165
Energy: 0.5860645493052998
Energy: 0.6939829113706029
Energy: 0.5860645493052998
Energy: 0.7619500503519168
Energy: 0.5919415074843651
Energy: 0.5861343975258813
Energy: 0.5919415074843651
Energy: 0.5812696020759958
Energy: 0.5845500328979025
Energy: 0.7406900439787277
Energy: 0.5845500328979025
Energy: 0.6748317294898375
Energy: 0.6166559029567242
Energy: 0.5819684576709729
Energy: 0.6166559029579121
Energy: 0.5849926538180896
Energy: 0.6143576113436313
Energy: 0.5978761577388744
Energy: 0.6143576113436313

minimum gb energy = 0.578551239779801 eV
minimum distance =  2.53227251654511 Angstroms
sigma value = 1


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

Energy: 0.633035422281733
Energy: 0.5706405513105712
Energy: 0.7048453285328321
Energy: 0.5706405513105712
Energy: 0.6042395414473472
Energy: 0.5536328757730699
Energy: 0.5668664580039293
Energy: 0.5536328757730699
Energy: 0.5581928872164289
Energy: 0.566355742418005
Energy: 0.6557501118058245
Energy: 0.566355742418005
Energy: 0.6062438473417683
Energy: 0.5971656829674526
Energy: 0.5664507555828994
Energy: 0.5971656829674526
Energy: 0.5574070478844901
Energy: 0.5688770190402735
Energy: 0.7021788052536846
Energy: 0.5688770190394333
Energy: 0.5568822790540797
Energy: 0.5966102709362034
Energy: 0.566386617130821
Energy: 0.5966102709362034
Energy: 0.557808950429603
Energy: 0.6156938871557475
Energy: 0.6389711878858058
Energy: 0.6156938871557475
Energy: 0.5571909750020437
Energy: 0.5661201567962719
Energy: 0.5802992561997952
Energy: 0.5661201567954318
Energy: 0.5659372575081056
Energy: 0.5708889113228194
Energy: 0.5789057775368235
Energy: 0.5708889113228194
Energy: 0.5658920293470163
Energy: 0.6641710086171421
Energy: 0.6048282400195014
Energy: 0.6641710086171421
Energy: 0.5572876387947754
Energy: 0.5666182643105502
Energy: 0.5638550247684183
Energy: 0.5666182643105502
Energy: 0.5568607575020368
Energy: 0.6085317418591253
Energy: 0.6582967280304262
Energy: 0.6085317418582852
Energy: 0.553778233212555
Energy: 0.5963734712541776
Energy: 0.5670002524890217
Energy: 0.5963734712541776
Energy: 0.5539114347148243
Energy: 0.5706609196872506
Energy: 0.7006536818744848
Energy: 0.5706609196880907
Energy: 0.6093721381006004
Energy: 0.5967525568210958
Energy: 0.5671519068642786
Energy: 0.5967525568202556
Energy: 0.5582245702082342
Energy: 0.5664068689794526
Energy: 0.5668945201589194
Energy: 0.5664068689794526
Energy: 0.6456468190416822
Energy: 0.5540169306998489
Energy: 0.5659370852450926
Energy: 0.554016930700689
Energy: 0.6330354222808929
Energy: 0.5706405513105712
Energy: 0.7752709887824565
Energy: 0.5706405513105712
Energy: 0.6042395414473472
Energy: 0.5536328757730699
Energy: 0.5668664580039293
Energy: 0.5536328757730699
Energy: 0.5581928872164289
Energy: 0.5663557424171648
Energy: 0.6557497760205027
Energy: 0.566355742418005
Energy: 0.6062438475046869
Energy: 0.5971656829674526
Energy: 0.5664507555828994
Energy: 0.5971656829674526
Energy: 0.5574070478853304
Energy: 0.5688770190402735
Energy: 0.7021788052528445
Energy: 0.5688770190394333
Energy: 0.5568822790540797
Energy: 0.5966102709353632
Energy: 0.566386617130821
Energy: 0.5966102709362034
Energy: 0.557808950429603
Energy: 0.6156938871557475
Energy: 0.5646398995057461
Energy: 0.6156938871557475

minimum gb energy = 0.5536328757730699 eV
minimum distance =  2.54386252459017 Angstroms
sigma value = 17


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

Energy: 0.5628301606130997
Energy: 0.56294078390167
Energy: 0.6947206501236166
Energy: 0.5629407839006315
Energy: 0.6006791439339495
Energy: 0.5608800798364847
Energy: 0.5561531240168653
Energy: 0.5608800798370039
Energy: 0.5543792324436508
Energy: 0.5569686679077823
Energy: 0.5990859254666246
Energy: 0.5569686679077823
Energy: 0.6492197167452002
Energy: 0.5499140082871027
Energy: 0.5532691402803565
Energy: 0.5499140082886604
Energy: 0.5546712783630927
Energy: 0.5914430424320201
Energy: 0.7004745313273946
Energy: 0.5914430424325393
Energy: 0.5673717200575448
Energy: 0.6522738556881115
Energy: 0.5596684376220277
Energy: 0.6522738556875921
Energy: 0.5669505842450064
Energy: 0.5825524119307193
Energy: 0.5595603207369687
Energy: 0.5825524119307193
Energy: 0.5492263950152266
Energy: 0.6537435138060234
Energy: 0.5535879218297508
Energy: 0.6537435138060234
Energy: 0.5642179907012694
Energy: 0.6576081383191905
Energy: 0.5680300277583158
Energy: 0.6576081383197098
Energy: 0.5565523702038148
Energy: 0.5820535466782973
Energy: 0.5607233866926938
Energy: 0.582053546677778
Energy: 0.5571948472182345
Energy: 0.6480390665997039
Energy: 0.5575607802299055
Energy: 0.6480390665997039
Energy: 0.5508647836984978
Energy: 0.5813330260198103
Energy: 0.5471694428030782
Energy: 0.5813330260203295
Energy: 0.5505457073948222
Energy: 0.6529313510769296
Energy: 0.555788402640878
Energy: 0.652931351075891
Energy: 0.5621447049809026
Energy: 0.5897933487222498
Energy: 0.5630269968250537
Energy: 0.5897933487222498
Energy: 0.558814691062623
Energy: 0.6477891204999628
Energy: 0.5684872207945866
Energy: 0.6477891204999628
Energy: 0.5574718388680402
Energy: 0.5574341333044148
Energy: 0.640678665151358
Energy: 0.5574341333049341
Energy: 0.5805204115954438
Energy: 0.6475379339962483
Energy: 0.5555963226291952
Energy: 0.6475379339962483
Energy: 0.5504170847811005
Energy: 0.5632503898797403
Energy: 0.7600768269614916
Energy: 0.5632503898802595
Energy: 0.631671899909976
Energy: 0.5835000905619147
Energy: 0.5558635555374836
Energy: 0.5835000905613954
Energy: 0.5569415242673675
Energy: 0.5568341890608401
Energy: 0.7104733546757216
Energy: 0.5568341890613593
Energy: 0.5693560863689205
Energy: 0.556288596621695
Energy: 0.5655334285329238
Energy: 0.5562885966211757
Energy: 0.5657445292664607
Energy: 0.5643428098416483
Energy: 0.5698990122131786
Energy: 0.5643428098421677
Energy: 0.6073371547495592
Energy: 0.5564336903729993
Energy: 0.5580070757693164
Energy: 0.5564336903740378
Energy: 0.5562009724311886
Energy: 0.5832732126438925
Energy: 0.6432975612693466
Energy: 0.5832732126428539
Energy: 0.6836832241593324
Energy: 0.5633043993000145
Energy: 0.5514983082932442
Energy: 0.5633043993000145
Energy: 0.5571803125607567
Energy: 0.5909684941335034
Energy: 0.5555785089343445
Energy: 0.5909684941335034
Energy: 0.6203043894829656
Energy: 0.5794621194281047
Energy: 0.558620929220115
Energy: 0.5794621194275854
Energy: 0.5712603877956955
Energy: 0.6484267977123886
Energy: 0.5601389996889526
Energy: 0.6484267977118694
Energy: 0.5631206567390843
Energy: 0.5895066713379292
Energy: 0.5637835817320609
Energy: 0.5895066713384485
Energy: 0.5572408116109536
Energy: 0.6532379753415861
Energy: 0.5655090335639478
Energy: 0.6532379753421056
Energy: 0.5558970183360811
Energy: 0.5892268044055139
Energy: 0.558863933157221
Energy: 0.5892268044065526
Energy: 0.5538637790470914
Energy: 0.6468598413695822
Energy: 0.5552223880963293
Energy: 0.6468598413690628
Energy: 0.5587260678437266
Energy: 0.5823625333179271
Energy: 0.6272279066831751
Energy: 0.5823625333183992
Energy: 0.5774305867571932
Energy: 0.6566607260749323
Energy: 0.5618988736785163
Energy: 0.6566607260749323
Energy: 0.5532972561304599
Energy: 0.5636728076543931
Energy: 0.5772186736912146
Energy: 0.5636728076543931
Energy: 0.5601753364197474
Energy: 0.5834946257157964
Energy: 0.5680887325545084
Energy: 0.5834946257157964
Energy: 0.5579145869443275
Energy: 0.6517012407154882
Energy: 0.5691575573680916
Energy: 0.6517012407149688
Energy: 0.5900658364617958
Energy: 0.5923423213460208
Energy: 0.5577640616093461
Energy: 0.5923423213460208

minimum gb energy = 0.5471694428030782 eV
minimum distance =  2.53491207975045 Angstroms
sigma value = 89


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

Energy: 0.49260981835355955
Energy: 0.49267629541188374
Energy: 0.6777784111141372
Energy: 0.49267629541188374
Energy: 0.4928298290640161
Energy: 0.5088476457550997
Energy: 0.5031903944446318
Energy: 0.5088476457550997
Energy: 0.5014110734200747
Energy: 0.5728033463331442
Energy: 0.6433973025309251
Energy: 0.5728033463331442
Energy: 0.6319152759051184
Energy: 0.5088411735384847
Energy: 0.5033059667263168
Energy: 0.5088411735384847
Energy: 0.5013122019388052
Energy: 0.49357083983247724
Energy: 0.7377768979235424
Energy: 0.49357083983247724
Energy: 0.5013863006034482
Energy: 0.49285149826726504
Energy: 0.4925455595567463
Energy: 0.49285149826726504
Energy: 0.5016539763881721
Energy: 0.5730628123418225
Energy: 0.49283486502802004
Energy: 0.5730628123418225
Energy: 0.5058349282384227
Energy: 0.6663006982304548
Energy: 0.5031111681055782
Energy: 0.6663006982304548
Energy: 0.5014153024884487
Energy: 0.5321491165541777
Energy: 0.6290115008565048
Energy: 0.5321491165541777
Energy: 0.5088303713266693
Energy: 0.6205586448977777
Energy: 0.5012917239114159
Energy: 0.6205586448977777
Energy: 0.4926023848251479
Energy: 0.5089003129442147
Energy: 0.5013541276770266
Energy: 0.5089003129428561
Energy: 0.49263283374239347
Energy: 0.571248053475496
Energy: 0.5032209372303846
Energy: 0.571248053475496
Energy: 0.5013727482353332
Energy: 0.5305060821865719
Energy: 0.5043910430206288
Energy: 0.5305060821865719
Energy: 0.501410250365169
Energy: 0.5300779030456374
Energy: 0.5015285967459828
Energy: 0.5300779030456374
Energy: 0.49536410957351196
Energy: 0.5305282244536728
Energy: 0.5013009200557396
Energy: 0.5305282244536728

minimum gb energy = 0.4925455595567463 eV
minimum distance =  2.55347389193444 Angstroms
sigma value = 13


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

Energy: 0.5015671427174905
Energy: 0.6552364789865186
Energy: 0.6403284346616833
Energy: 0.655236478983671
Energy: 0.5277664852072977
Energy: 0.5876767796948154
Energy: 0.49128463281983353
Energy: 0.5876767797033579
Energy: 0.4927042467672143
Energy: 0.5808072272207557
Energy: 0.5653272895933615
Energy: 0.5808072271951541
Energy: 0.49277196029559556
Energy: 0.5888384041155938
Energy: 0.4882089504998754
Energy: 0.5888384041628366
Energy: 0.49623136679000984
Energy: 0.5875789755994038
Energy: 0.529576297680765
Energy: 0.5875789756005428
Energy: 0.4856365553433927
Energy: 0.505342669926014
Energy: 0.4915970000466337
Energy: 0.5053426699243054
Energy: 0.4964196683407309
Energy: 0.6939568676045731
Energy: 0.6356452026748436
Energy: 0.6939568676051426
Energy: 0.4866630778308426
Energy: 0.5919376219286727
Energy: 0.49157628772954387
Energy: 0.5919376202248999
Energy: 0.4960860639545759
Energy: 0.5911643956706476
Energy: 0.5774192068399446
Energy: 0.5911643956706476
Energy: 0.5753388744605339
Energy: 0.5276458888401035
Energy: 0.48829400278850277
Energy: 0.5276458888401035
Energy: 0.49802545425542116
Energy: 0.5278559780613051
Energy: 0.49183960385726117
Energy: 0.5278559780618747
Energy: 0.5957115405090343
Energy: 0.5961707502451862
Energy: 0.49261886244122743
Energy: 0.5961707502468948
Energy: 0.5083630464620307
Energy: 0.49651199310992694
Energy: 0.5002812670304023
Energy: 0.496511993111066
Energy: 0.6085113021166431
Energy: 0.5275765911011444
Energy: 0.4928345610929441
Energy: 0.5275765911011444
Energy: 0.4965773881654298
Energy: 0.49164403376517407
Energy: 0.4858509960014635
Energy: 0.4916440337646046
Energy: 0.484051072314253
Energy: 0.5276238588055558
Energy: 0.4868399968283523
Energy: 0.5276238588055558
Energy: 0.49211770327245646
Energy: 0.514353284142101
Energy: 0.4872081735479712
Energy: 0.5143532841426706
Energy: 0.49140126678157126
Energy: 0.5197661990689951
Energy: 0.48986138764438003
Energy: 0.5197661990667172
Energy: 0.4925044958331296
Energy: 0.5226256243913505
Energy: 0.4898534049335411
Energy: 0.5226256243919201
Energy: 0.49247815309956067
Energy: 0.5229610352665458
Energy: 0.4898216405640536
Energy: 0.5229610352676849
Energy: 0.4910359954867127
Energy: 0.5197993923841048
Energy: 0.489879168444527
Energy: 0.5197993923823963
Energy: 0.4922255486793037
Energy: 0.5141832482784754
Energy: 0.4870318067140786
Energy: 0.5141832482784754
Energy: 0.4841714014868284
Energy: 0.5276426911587218
Energy: 0.4867862941903268
Energy: 0.5276426911615693
Energy: 0.4964603049887743
Energy: 0.49171765444906274
Energy: 0.48789132012009107
Energy: 0.4917176544484932
Energy: 0.608685582185334
Energy: 0.5275042191819969
Energy: 0.4928460982310209
Energy: 0.5275042191825664
Energy: 0.5082198348381695
Energy: 0.49639602791786785
Energy: 0.48757268838680423
Energy: 0.49639602791786785
Energy: 0.5956752196311365
Energy: 0.5975151491817801
Energy: 0.49250658063155167
Energy: 0.5975151491823496
Energy: 0.4962091335797201
Energy: 0.5278964400006696
Energy: 0.485282558513952
Energy: 0.527896440001239
Energy: 0.5746570987817162
Energy: 0.5983280630538127
Energy: 0.4882991273496724
Energy: 0.5983280629900543
Energy: 0.4985341998723757
Energy: 0.5907149536688372
Energy: 0.5444903160234366
Energy: 0.5907149536694067
Energy: 0.4866404605922265
Energy: 0.591556372282159
Energy: 0.49156453006329565
Energy: 0.5915563981773708
Energy: 0.49900536394650535
Energy: 0.6938675510669785
Energy: 0.5869363721063218
Energy: 0.6938675510669785
Energy: 0.48576515717624114
Energy: 0.5055670254057807
Energy: 0.4916641247129153
Energy: 0.5055670254063502
Energy: 0.49620563462254463
Energy: 0.5873895567301464
Energy: 0.6347122072063452
Energy: 0.5873895567301464
Energy: 0.4961669479047802
Energy: 0.5924520424092252
Energy: 0.48821278412567104
Energy: 0.5924520424097948

minimum gb energy = 0.484051072314253 eV
minimum distance =  2.466696827364 Angstroms
sigma value = 37


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

Energy: 0.5322859952241434
Energy: 0.5423292431059439
Energy: 0.45503556806390666
Energy: 0.5423292431049641
Energy: 0.5247375326700273
Energy: 0.5861834257739519
Energy: 0.45120683511564713
Energy: 0.5861834257739519
Energy: 0.4603575403775494
Energy: 0.6007511505262131
Energy: 0.6022226705175378
Energy: 0.6007511505291525
Energy: 0.4893587209306985
Energy: 0.46167035798928213
Energy: 0.45321266450891995
Energy: 0.46167035798928213
Energy: 0.45265321260569596
Energy: 0.586442890720902
Energy: 0.4759258036244121
Energy: 0.5864428907218818
Energy: 0.4552562610538812
Energy: 0.6522510168112867
Energy: 0.510033620096808
Energy: 0.6522510168112867
Energy: 0.4593370146633723
Energy: 0.7154605200648195
Energy: 0.5836504129473636
Energy: 0.7154605200648195
Energy: 0.44287046181841405
Energy: 0.4616024486569716
Energy: 0.4634153667148015
Energy: 0.4616024486569716
Energy: 0.4519715482732436
Energy: 0.5866621172778504
Energy: 0.5424422796662449
Energy: 0.5866621172778504
Energy: 0.6025124897566784
Energy: 0.596606491313642
Energy: 0.510024188642853
Energy: 0.5966064913146217
Energy: 0.4611262159201125
Energy: 0.6871869836844089
Energy: 0.49538320809534686
Energy: 0.6871869836853887
Energy: 0.6077901593802257
Energy: 0.4614938008518066
Energy: 0.45330140384838513
Energy: 0.4614938008518066
Energy: 0.508225436762411
Energy: 0.5865490952759753
Energy: 0.449621441103984
Energy: 0.5865490952740158
Energy: 0.5981882469194376
Energy: 0.7139239688915202
Energy: 0.4456880660464478
Energy: 0.7139239688915202
Energy: 0.5323290196525584
Energy: 0.4840757628789741
Energy: 0.44587016994678813
Energy: 0.4840757628789741
Energy: 0.5268776987081359
Energy: 0.5870180023070836
Energy: 0.4512202182754355
Energy: 0.5870180023070836
Energy: 0.5081767435115893
Energy: 0.5872290482753642
Energy: 0.45178712279163186
Energy: 0.5872290482753642
Energy: 0.49570723758974544
Energy: 0.6874714581823648
Energy: 0.4523557502787696
Energy: 0.6874714581813849
Energy: 0.4523306821728605
Energy: 0.46138769935347335
Energy: 0.45125398465482813
Energy: 0.46138769935347335
Energy: 0.4504836079066122
Energy: 0.5871740835502205
Energy: 0.5058705314254494
Energy: 0.5871740835502205

minimum gb energy = 0.44287046181841405 eV
minimum distance =  2.54305415512823 Angstroms
sigma value = 25


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

Energy: 0.43093828048462873
Energy: 0.609317677336211
Energy: 0.5719345457994637
Energy: 0.6093176773369761
Energy: 0.49123850490039617
Energy: 0.6192532395133782
Energy: 0.4123142859043571
Energy: 0.6192532395133782
Energy: 0.40764225335741056
Energy: 0.4077334519077092
Energy: 0.7366211233264884
Energy: 0.4077334519077092
Energy: 0.41793896702768857
Energy: 0.6182776219150865
Energy: 0.4110988713609555
Energy: 0.6182776219143213
Energy: 0.41157467056585517
Energy: 0.6192815294587538
Energy: 0.4195827167413647
Energy: 0.6192815294587538
Energy: 0.4008406598705638
Energy: 0.6178701170594335
Energy: 0.412404735710363
Energy: 0.6178701170601987
Energy: 0.4120924243017062
Energy: 0.5127204568336579
Energy: 0.41734613761367706
Energy: 0.512720456834423
Energy: 0.4001193846637564
Energy: 0.5340867914579074
Energy: 0.4086283676341294
Energy: 0.5340867926509473
Energy: 0.41144907227041116
Energy: 0.6172317435992334
Energy: 0.4917246030617138
Energy: 0.6172317435984683
Energy: 0.39950085782868705
Energy: 0.5138102027195336
Energy: 0.4318704157129802
Energy: 0.5138102027715257
Energy: 0.41204396251943953
Energy: 0.4092182234238958
Energy: 0.5524413915398152
Energy: 0.4092182234238958
Energy: 0.5099534717254213
Energy: 0.6508716770970694
Energy: 0.4087591380784249
Energy: 0.6508716770970694
Energy: 0.41154398161914385
Energy: 0.6176581063946438
Energy: 0.47668458629858046
Energy: 0.6176581063961741
Energy: 0.5209190807376725
Energy: 0.6299487629647164
Energy: 0.41235268385075163
Energy: 0.6299487629647164
Energy: 0.4119582718416488
Energy: 0.40931540015428863
Energy: 0.39858775202614694
Energy: 0.40931540015428863
Energy: 0.49905583928801855
Energy: 0.6371178526849123
Energy: 0.41107593848278134
Energy: 0.6371178526826169
Energy: 0.4114914451661424
Energy: 0.5331848856931911
Energy: 0.40033143006563554
Energy: 0.5331848856931911
Energy: 0.4894888399028504
Energy: 0.6175656799732226
Energy: 0.41246355398218715
Energy: 0.6175656799732226
Energy: 0.43480355769667656
Energy: 0.5122181365315713
Energy: 0.398970371915759
Energy: 0.5122181365545245
Energy: 0.5521928384261118
Energy: 0.6355721943300964
Energy: 0.41109225453350046
Energy: 0.6355721943293314
Energy: 0.411660012879993
Energy: 0.6507428671652995
Energy: 0.4037721517695392
Energy: 0.6507428671652995
Energy: 0.4080496802935677
Energy: 0.6165672658220623
Energy: 0.4125883275204109
Energy: 0.6165672658220623
Energy: 0.41209508258552136
Energy: 0.6282372928042886
Energy: 0.5212284956868056
Energy: 0.6282372928042886
Energy: 0.40266798515294905
Energy: 0.6345759568687755
Energy: 0.4110997454148719
Energy: 0.6345759568963193
Energy: 0.4112369915119866
Energy: 0.6508320794886396
Energy: 0.496315732516483
Energy: 0.6508320794886396
Energy: 0.39910993539787254
Energy: 0.5328269119316449
Energy: 0.40776973972392094
Energy: 0.53282691193241

minimum gb energy = 0.39858775202614694 eV
minimum distance =  2.48409723027476 Angstroms
sigma value = 41


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

Energy: 0.5318382312988551
Energy: 0.556613935008908
Energy: 0.5355425827624578
Energy: 0.5566139350082807
Energy: 0.5047449270382982
Energy: 0.5490312707932874
Energy: 0.3721536402057639
Energy: 0.5490312707932874
Energy: 0.38206939604759166
Energy: 0.5475246868895312
Energy: 0.6965552950258886
Energy: 0.5475246868895312
Energy: 0.4441005619928171
Energy: 0.5475467697082158
Energy: 0.37210837979806605
Energy: 0.5475467697069614
Energy: 0.36919588186340435
Energy: 0.562806296488898
Energy: 0.3857685280507984
Energy: 0.5628062964882709
Energy: 0.38295690553548534
Energy: 0.5460302745320145
Energy: 0.372028751919992
Energy: 0.5460302745332689
Energy: 0.37156701510258355
Energy: 0.5468618554500243
Energy: 0.38349182918432584
Energy: 0.5468618554500243
Energy: 0.3654457658064814
Energy: 0.4679293364363495
Energy: 0.36985835497224057
Energy: 0.4679293364363495
Energy: 0.37378863282098057
Energy: 0.5786374832200414
Energy: 0.538534718052228
Energy: 0.5786374832206687
Energy: 0.3693432142322239
Energy: 0.37299891672608515
Energy: 0.3825676583441867
Energy: 0.37299891712108746
Energy: 0.3716228533595985
Energy: 0.5450399356806735
Energy: 0.5048885186814471
Energy: 0.5450399356806735
Energy: 0.36494426622861703
Energy: 0.5543776164509425
Energy: 0.5323783173914929
Energy: 0.5543776164509425
Energy: 0.37375957462203324
Energy: 0.5780318723240103
Energy: 0.5052520633980129
Energy: 0.578031872323383
Energy: 0.45932771846340026
Energy: 0.4956346521702555
Energy: 0.3826195308427057
Energy: 0.49563465216962826
Energy: 0.37151322655535945
Energy: 0.5449684367070127
Energy: 0.49016148430456546
Energy: 0.5449684367070127
Energy: 0.46668985849947003
Energy: 0.577841541840207
Energy: 0.3698152631147899
Energy: 0.577841541840207
Energy: 0.37372318681967553
Energy: 0.577895948714168
Energy: 0.4270517397928359
Energy: 0.5778959487147952
Energy: 0.46081693658165307
Energy: 0.49630756264011755
Energy: 0.372068859244713
Energy: 0.49630756264011755
Energy: 0.3715503370698309
Energy: 0.4678033373629231
Energy: 0.3655669295095031
Energy: 0.4678033373629231
Energy: 0.4497895810531433
Energy: 0.577929922100685
Energy: 0.3736372472079113
Energy: 0.5779299221013121
Energy: 0.3843085068689319
Energy: 0.5774544037187676
Energy: 0.36665516147748434
Energy: 0.5774544037193948
Energy: 0.5887391366750667
Energy: 0.6067673813407698
Energy: 0.37212559943386275
Energy: 0.6067673813413971
Energy: 0.5337070236238616
Energy: 0.5549584780387541
Energy: 0.36511577793853944
Energy: 0.5549584780387541
Energy: 0.5024957081822411
Energy: 0.577327142992928
Energy: 0.3738288532831723
Energy: 0.577327142992928
Energy: 0.38429093022891864
Energy: 0.5777244418990929
Energy: 0.36814887821909725
Energy: 0.5777244418990929
Energy: 0.488175789151212
Energy: 0.6057133561552952
Energy: 0.37206870816238086
Energy: 0.605713356154668
Energy: 0.37152796032333907
Energy: 0.5759935210996082
Energy: 0.46787999271623676
Energy: 0.575993521098981
Energy: 0.37363850278862437
Energy: 0.5764954769358845
Energy: 0.3763315371545704
Energy: 0.5764954769358845
Energy: 0.3738421105398902
Energy: 0.5993816386457824
Energy: 0.4641591473895495
Energy: 0.5993816386464097
Energy: 0.3696744266242098
Energy: 0.5951247069664192
Energy: 0.374326649917254
Energy: 0.5951247069670464
Energy: 0.3718641336635797
Energy: 0.5760689769456088
Energy: 0.4514639434791843
Energy: 0.5760689769449815
Energy: 0.36825421657944096
Energy: 0.5762628185376754
Energy: 0.3869004040779058
Energy: 0.5762628185376754

minimum gb energy = 0.36494426622861703 eV
minimum distance =  2.47727801074402 Angstroms
sigma value = 15


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

Energy: 0.5299810985230472
Energy: 0.5517814565556657
Energy: 0.5118602171137042
Energy: 0.551781456556197
Energy: 0.5753925221111958
Energy: 0.5235677576422101
Energy: 0.3497936256434097
Energy: 0.5235677576400845
Energy: 0.3953985852392048
Energy: 0.5192163697046253
Energy: 0.42750405647550116
Energy: 0.5192163697051566
Energy: 0.49990432210330255
Energy: 0.5113256877085167
Energy: 0.3497817631317267
Energy: 0.5113256897544626
Energy: 0.38226093980306247
Energy: 0.5494119921386241
Energy: 0.355027599896321
Energy: 0.5494119921375614
Energy: 0.4486405267029796
Energy: 0.5239053249121896
Energy: 0.3499712276937749
Energy: 0.5239053249105955
Energy: 0.3526833737163086
Energy: 0.5016255456437112
Energy: 0.38183430158692566
Energy: 0.5016255456516817
Energy: 0.38197495492661326
Energy: 0.5039759838925096
Energy: 0.35349833083830695
Energy: 0.5039759838925096
Energy: 0.3509262095761822
Energy: 0.5471515612029011
Energy: 0.47434686442197294
Energy: 0.5471515612039638
Energy: 0.365134026053673
Energy: 0.5401698783058954
Energy: 0.3825202738078345
Energy: 0.5401698783058954
Energy: 0.3494827518474754
Energy: 0.5199369917298138
Energy: 0.5009696465174839
Energy: 0.5199369917287993
Energy: 0.3463415089137578
Energy: 0.512686978458724
Energy: 0.3956010360515521
Energy: 0.512686978458724
Energy: 0.350923309265602
Energy: 0.5518211592824938
Energy: 0.5805594007835422
Energy: 0.5518211592819623
Energy: 0.3515737583395087
Energy: 0.5540708010080163
Energy: 0.48510311698310543
Energy: 0.5540708010090791
Energy: 0.3494110520706839
Energy: 0.5221194984423081
Energy: 0.5410537648095674
Energy: 0.5221194984433708
Energy: 0.4206094821970042
Energy: 0.5121972362773265
Energy: 0.3956303362358176
Energy: 0.5121972362773265
Energy: 0.3508420045030828
Energy: 0.5421349014329265
Energy: 0.5016987500631531
Energy: 0.5421349014323952
Energy: 0.4331792926494485
Energy: 0.5596609614617686
Energy: 0.3826561287701962
Energy: 0.5596609614601744
Energy: 0.35040284651800924
Energy: 0.5222454170857518
Energy: 0.44980160279737724
Energy: 0.5222454170862831
Energy: 0.44641935497897556
Energy: 0.5218547225855683
Energy: 0.3533932705256416
Energy: 0.521854722586631
Energy: 0.35492317121554956
Energy: 0.5333817077796851
Energy: 0.3829074916829393
Energy: 0.5333817077786223
Energy: 0.45919016418085823
Energy: 0.5585199706901532
Energy: 0.352648927427536
Energy: 0.5585199706901532
Energy: 0.3836276521225339
Energy: 0.5319886231805913
Energy: 0.36439248648043915
Energy: 0.5319886231784657
Energy: 0.5613649196606703
Energy: 0.521875746534635
Energy: 0.34978559557985156
Energy: 0.5218757465330407
Energy: 0.3967986369238191
Energy: 0.5434582372490917
Energy: 0.3697860709375149
Energy: 0.5434582372485602
Energy: 0.5815209348071431
Energy: 0.5531667713555847
Energy: 0.35251343155575343
Energy: 0.5531667713582417
Energy: 0.5310410374728007
Energy: 0.5485516326753622
Energy: 0.3382655478017793
Energy: 0.5485516326753622
Energy: 0.6505753175940728
Energy: 0.5221661093903689
Energy: 0.3497046115133238
Energy: 0.5221661093882434
Energy: 0.39684055520121087
Energy: 0.5595001569824276
Energy: 0.34484890898987014
Energy: 0.5595001569808334
Energy: 0.497569766416241
Energy: 0.5415962591634391
Energy: 0.3526523326869132
Energy: 0.5415962591639706
Energy: 0.38369848444628757
Energy: 0.5471206040573353
Energy: 0.4280205328389532
Energy: 0.5471206040589295
Energy: 0.4924158498864462
Energy: 0.5215727001528958
Energy: 0.35142856604884914
Energy: 0.5215727001502389
Energy: 0.35492187758246235
Energy: 0.5594977159929546
Energy: 0.45635106442210066
Energy: 0.5594977159918919
Energy: 0.37841308819426467
Energy: 0.5329679992547207
Energy: 0.35697263370090326
Energy: 0.5329679992552522
Energy: 0.34760718140393154
Energy: 0.5471516331930188
Energy: 0.45575334055058686
Energy: 0.5471516331924874
Energy: 0.3762354908073026
Energy: 0.5310288507264946
Energy: 0.38528854230641335
Energy: 0.5310288507264946
Energy: 0.3508066328216289
Energy: 0.5597688105871707
Energy: 0.5576910352819642
Energy: 0.5597688105877021

minimum gb energy = 0.3382655478017793 eV
minimum distance =  2.56175200376765 Angstroms
sigma value = 85


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

Energy: 0.4955204990623044
Energy: 0.5177673458275228
Energy: 0.42156544667515067
Energy: 0.5177673458270619
Energy: 0.5949908417458497
Energy: 0.48298938868652697
Energy: 0.31926323806954515
Energy: 0.48298938844145195
Energy: 0.47649129877426794
Energy: 0.4744730535708885
Energy: 0.38009098894774
Energy: 0.47447305350180075
Energy: 0.5251584840932115
Energy: 0.47924419083896314
Energy: 0.31928777604356484
Energy: 0.4792441908269808
Energy: 0.36357640370211897
Energy: 0.4581299324653814
Energy: 0.3345977492872851
Energy: 0.45812993246445965
Energy: 0.46007991346684973
Energy: 0.4734823317393245
Energy: 0.31899796445860484
Energy: 0.47348233171535964
Energy: 0.34725058056259417
Energy: 0.4645535988865568
Energy: 0.3591835338814766
Energy: 0.46455359887459535
Energy: 0.4161395424548894
Energy: 0.4788524600545919
Energy: 0.323187726750366
Energy: 0.4788524600550527
Energy: 0.32234541870407984
Energy: 0.44889897785476585
Energy: 0.4028086495498474
Energy: 0.4488989778796316
Energy: 0.3589974248037662
Energy: 0.4607736027845829
Energy: 0.34785900217720134
Energy: 0.4607735934741852
Energy: 0.3202107838565448
Energy: 0.4816218820496748
Energy: 0.46050330715175963
Energy: 0.48162188221411956
Energy: 0.32883467781398185
Energy: 0.49432582491251
Energy: 0.36396744572775563
Energy: 0.49432582491251
Energy: 0.31889453954893604
Energy: 0.4486829952820691
Energy: 0.5639591974503132
Energy: 0.448682995265478
Energy: 0.30796597589741187
Energy: 0.4731405696574029
Energy: 0.4768283037310171
Energy: 0.47314056952104994
Energy: 0.3203512229164662
Energy: 0.4790630119695359
Energy: 0.5956837165945463
Energy: 0.47906301199718765
Energy: 0.3047656547683277
Energy: 0.5062968701276643
Energy: 0.45642780384339054
Energy: 0.5062968701262818
Energy: 0.31884877333391254
Energy: 0.44861561328243493
Energy: 0.5649225781656608
Energy: 0.44861561326630467
Energy: 0.36861335673886875
Energy: 0.47288552786241905
Energy: 0.47688493896694284
Energy: 0.4728855277136437
Energy: 0.32012862917559604
Energy: 0.4790981117999513
Energy: 0.5261758080168351
Energy: 0.47909811179856876
Energy: 0.37984476113554233
Energy: 0.5160275933396
Energy: 0.3639813138672643
Energy: 0.5160275933396
Energy: 0.31936869188120254
Energy: 0.4238724221504666
Energy: 0.494565609801682
Energy: 0.4238724221504666
Energy: 0.3994078867750878
Energy: 0.479517833454647
Energy: 0.34765721859199106
Energy: 0.47951783345418614
Energy: 0.323164553184829
Energy: 0.47888251307546437
Energy: 0.41658665710056114
Energy: 0.47888251259637515
Energy: 0.40214562185894714
Energy: 0.513087851153908
Energy: 0.3230095988071653
Energy: 0.5130878511534471
Energy: 0.34881727067641677
Energy: 0.42650529824835204
Energy: 0.35945928152082857
Energy: 0.42650529824789113
Energy: 0.5020974702985007
Energy: 0.4798141745033815
Energy: 0.31921243417482237
Energy: 0.47981417439788554
Energy: 0.3650731933511718
Energy: 0.49127460196116973
Energy: 0.32731424641177187
Energy: 0.4912746019597871
Energy: 0.4953827936871837
Energy: 0.5132048326120839
Energy: 0.3192711854165357
Energy: 0.5132048326107013
Energy: 0.47763650414527825
Energy: 0.4764618345683635
Energy: 0.3307495922360871
Energy: 0.4764618345683635
Energy: 0.6433808749905333
Energy: 0.47901845491844686
Energy: 0.3197177065425291
Energy: 0.47901846242766194
Energy: 0.49675274312577933
Energy: 0.5116485728512723
Energy: 0.30649369617433553
Energy: 0.5116485728466635
Energy: 0.5869624605899938
Energy: 0.5146341645019156
Energy: 0.319276773781506
Energy: 0.5146341645019156
Energy: 0.47772756916761294
Energy: 0.4737781289979227
Energy: 0.30745988910874505
Energy: 0.47377812899700095
Energy: 0.5773147044952764
Energy: 0.4792153342562893
Energy: 0.31970906284283185
Energy: 0.47921533425675017
Energy: 0.36509712030920505
Energy: 0.5095210580790328
Energy: 0.3788688681686923
Energy: 0.5095210580790328
Energy: 0.43728249826693233
Energy: 0.5053283727620855
Energy: 0.32039148236083476
Energy: 0.5053283723341313
Energy: 0.34860503989989683
Energy: 0.47920661552898286
Energy: 0.3993201937894856
Energy: 0.47920661552898286
Energy: 0.4309884046545696
Energy: 0.4787001180050845
Energy: 0.3223481138353142
Energy: 0.47870011800554535
Energy: 0.32317734422688005
Energy: 0.5098333127456248
Energy: 0.40227320867081645
Energy: 0.5098333127451641
Energy: 0.33088522740542536
Energy: 0.4987404850427916
Energy: 0.3425783896994215
Energy: 0.4987404850427916
Energy: 0.31900321344835414
Energy: 0.47903657165466845
Energy: 0.5022646791434094
Energy: 0.4790365716532859
Energy: 0.3268901819803728
Energy: 0.48981812470375974
Energy: 0.36644285951645655
Energy: 0.4898181248622132
Energy: 0.32021848521413115
Energy: 0.5097801344464622
Energy: 0.49528880960148114
Energy: 0.509780134447384

minimum gb energy = 0.3047656547683277 eV
minimum distance =  2.559227304594 Angstroms
sigma value = 113


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

Energy: 0.01173383089594082
Energy: 0.013071489890653282
Energy: 0.3930777609977131
Energy: 0.013071489890298993
Energy: 0.39261195025808987
Energy: 0.1751808354135346
Energy: 0.17555294669457538
Energy: 0.17518083541318033
Energy: 0.01173383089594082
Energy: 0.013071489890653282
Energy: 0.3930920370265237
Energy: 0.013071489890653282
Energy: 0.39261195025844414
Energy: 0.17518083541318033
Energy: 0.17555179512253644
Energy: 0.1751808354135346
Energy: 0.01173383089594082
Energy: 0.013071489890653282
Energy: 0.3930887282295035
Energy: 0.013071489890298993
Energy: 0.39261195025808987
Energy: 0.1751808354135346
Energy: 0.17555112421725175
Energy: 0.17518083541318033

minimum gb energy = 0.01173383089594082 eV
minimum distance =  2.83530824443928 Angstroms
sigma value = 1