Model name: model_name=EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Au__MO_559016907324_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080000028014183
cohesive_energy=3.930309114102043
mass=196.9665
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=[1.026195736253634e-19, 1.69744205665764e-19, 2.27219088057246e-19, 2.7720379468477797e-19, 3.2136458924771994e-19, 3.60717251732028e-19, 3.95963535503394e-19, 4.2761773926133197e-19, 4.56077202811074e-19, 4.8165435059625e-19, 5.04602326525032e-19, 5.25142230972912e-19, 5.434262707201199e-19, 5.5963228737303e-19, 5.7388364853246e-19, 5.862957109160579e-19, 5.969710138283999e-19, 6.06000881337624e-19, 6.1346542227543e-19, 6.1943833676698195e-19, 6.2398691623090795e-19, 6.27168839026032e-19, 6.29041783511178e-19, 6.29655417162e-19, 6.2899051385889e-19, 6.26824371049722e-19, 6.22871801293644e-19, 6.167819279078099e-19, 6.08139787144014e-19, 5.96440693362546e-19, 5.8106941073595e-19, 5.61277722776148e-19, 5.36141173565322e-19, 5.04520615516698e-19, 4.64996520132552e-19, 4.1578886917250993e-19, 3.54648206642436e-19, 2.786986254843e-19, 1.8424230202682999e-19, 6.645508242505199e-20, -8.10177465044682e-20, -2.66669483316228e-19, -5.02030833027462e-19, -8.030029180776299e-19, -1.1919697482203458e-18, -1.70115910644852e-18, -2.3781588431452197e-18, -3.29546905317558e-18, -4.56761332233792e-18, -6.381533620287359e-18, -9.064971199274938e-18, -1.3284671865539758e-17, -2.0503855473614997e-17, -3.4453206337536e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011900618549689521
Energy: 0.012545014796914989
Energy: 0.47449135760599725
Energy: 0.012545014797380027
Energy: 0.012545014796914989
Energy: 0.54779289452301
Energy: 0.012545014797380027
Energy: 0.5477928945244598
Energy: 0.4744913576084045
Energy: 0.012545014797872423
Energy: 0.011900618549689521
Energy: 0.012545014797380027
Energy: 0.012545014797872423
Energy: 0.5477928945244598
Energy: 0.012545014797380027
Energy: 0.5477928945311893

minimum gb energy = 0.011900618549689521 eV
minimum distance =  2.77284406971577 Angstroms
sigma value = 1


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

Energy: 0.8642824671437289
Energy: 0.5484207385996597
Energy: 0.5757307133958345
Energy: 0.5484207385984653
Energy: 0.5691906269613258
Energy: 0.5966080151519372
Energy: 0.5579004704375823
Energy: 0.5966080151525343
Energy: 0.5754181648274528
Energy: 0.5756827711743936
Energy: 0.5935391512762194
Energy: 0.575682771172005
Energy: 0.5596714695793521
Energy: 0.5595583322510956
Energy: 0.5578103745021544
Energy: 0.559558332248707
Energy: 0.5924840467660556
Energy: 0.5576469214291956
Energy: 0.5582846229763
Energy: 0.5576469214321815
Energy: 0.5839993264145754
Energy: 0.5926682064414701
Energy: 0.5591425695007127
Energy: 0.5926682064390815
Energy: 0.5844590161194018
Energy: 0.5922974615998989
Energy: 0.5929135172668373
Energy: 0.5922974615981076
Energy: 0.5852760985892868
Energy: 0.609637534073084
Energy: 0.5969877927020247
Energy: 0.609637534073084
Energy: 0.5921262012326645
Energy: 0.606495376863257
Energy: 0.5920142630385498
Energy: 0.606495376866243
Energy: 0.59323426800521
Energy: 0.6070275035540286
Energy: 0.5925429718584957
Energy: 0.6070275035558199
Energy: 0.5920710596247305
Energy: 0.6070631796602607
Energy: 0.5915979807025555
Energy: 0.6070631796626493
Energy: 0.5850073131581116
Energy: 0.6062486437482568
Energy: 0.5952395372461349
Energy: 0.6062486437506456
Energy: 0.5858163126995724
Energy: 0.5918285536163578
Energy: 0.5913214355404106
Energy: 0.591828553617552
Energy: 0.584226318914701
Energy: 0.5935803189091959
Energy: 0.581631585004614
Energy: 0.5935803189091959
Energy: 0.5917022001192699
Energy: 0.5571424417713092
Energy: 0.5580006192115043
Energy: 0.5571424417707121
Energy: 0.5695323707977459
Energy: 0.5577322366897572
Energy: 0.5596846715960413
Energy: 0.5577322366879657
Energy: 0.576474781186782
Energy: 0.5758707573861993
Energy: 0.5932323618598002
Energy: 0.575870757391574
Energy: 0.5576911260256593
Energy: 0.5580063870314544
Energy: 0.5694075120826558
Energy: 0.5580063870344403
Energy: 0.5940090542547379
Energy: 0.5759600288113315
Energy: 0.5765020199655235
Energy: 0.5759600288125257
Energy: 0.5846136316606982
Energy: 0.5582403007480468
Energy: 0.5595730507136576
Energy: 0.5582403007492411
Energy: 0.5598157231760664
Energy: 0.5591845019776948
Energy: 0.5930512484618886
Energy: 0.5591845019770976
Energy: 0.5592286792848985
Energy: 0.5583877430713873
Energy: 0.5839291613260469
Energy: 0.5583877430707901
Energy: 0.592791697506304
Energy: 0.5927243094048817
Energy: 0.5828905728528543
Energy: 0.5927243094048817
Energy: 0.5949011894195454
Energy: 0.5925024170651838
Energy: 0.5836617884305657
Energy: 0.5925024170663783
Energy: 0.5922816752377585
Energy: 0.6069799778645504
Energy: 0.592449379264632
Energy: 0.6069799778657448
Energy: 0.5920420087956907
Energy: 0.6057072581117063
Energy: 0.5939522793422312
Energy: 0.6057072581111091
Energy: 0.5916052058946153
Energy: 0.6061409626150043
Energy: 0.5920383667449035
Energy: 0.6061409626126155
Energy: 0.5945972304249301
Energy: 0.6068818826555876
Energy: 0.5919941317185601
Energy: 0.606881882656782
Energy: 0.5915471251435261
Energy: 0.5917860176744751
Energy: 0.6038366978244581
Energy: 0.5917860176732808
Energy: 0.5820208878251738
Energy: 0.5935395862552714
Energy: 0.5849866851903367
Energy: 0.5935395862552714
Energy: 0.5576904892266566
Energy: 0.5572733246961884
Energy: 0.5913004752286714
Energy: 0.5572733246967855
Energy: 0.5593393415637484
Energy: 0.5578377477364794
Energy: 0.5697789336548802
Energy: 0.5578377477358822
Energy: 0.5931071394733756
Energy: 0.559002127192877
Energy: 0.5773921187648121
Energy: 0.5590021271904884

minimum gb energy = 0.5484207385984653 eV
minimum distance =  2.49352422002103 Angstroms
sigma value = 1


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

Energy: 0.9812864937710123
Energy: 0.5732634010331601
Energy: 0.6050140539074778
Energy: 0.5732634010324792
Energy: 0.6028754323154688
Energy: 0.626204700249469
Energy: 0.5875644738132619
Energy: 0.6262047002474264
Energy: 0.6047258851093241
Energy: 0.604504347657038
Energy: 0.6262926938620241
Energy: 0.6045043476577188
Energy: 0.5878122663637887
Energy: 0.5867606916324783
Energy: 0.5874041021460301
Energy: 0.5867606916392871
Energy: 0.626150550982279
Energy: 0.5863705038220177
Energy: 0.5869163708162626
Energy: 0.5863705038084002
Energy: 0.6178116932799932
Energy: 0.6584415099458559
Energy: 0.5877381342867602
Energy: 0.658441509945175
Energy: 0.619756253204471
Energy: 0.6278361097619831
Energy: 0.6243975741173228
Energy: 0.6278361097599404
Energy: 0.6169442918481887
Energy: 0.638406969873052
Energy: 0.627115694239854
Energy: 0.6384069698744138
Energy: 0.6256510012984415
Energy: 0.6403936005979238
Energy: 0.6230663754846676
Energy: 0.6403936005999665
Energy: 0.6257423901665856
Energy: 0.6412532602144418
Energy: 0.6184212900765153
Energy: 0.6412532602123993
Energy: 0.6230357524596558
Energy: 0.6272417121667663
Energy: 0.6206869914153341
Energy: 0.6272417121688089
Energy: 0.6142823776493609
Energy: 0.6297953264851508
Energy: 0.6176794904891653
Energy: 0.6297953264769802
Energy: 0.5868865831664104
Energy: 0.5864309698773031
Energy: 0.6235004618872738
Energy: 0.5864309698738989
Energy: 0.5871165821617671
Energy: 0.5866725618235482
Energy: 0.5990692592641813
Energy: 0.5866725618255908
Energy: 0.6260983610607469
Energy: 0.6044711726739134
Energy: 0.6041507910303366
Energy: 0.6044711726698281
Energy: 0.6036065367609978
Energy: 0.5867244496008099
Energy: 0.5873415339606981
Energy: 0.5867244496035335
Energy: 0.6066756283105131
Energy: 0.605214753006779
Energy: 0.6270103808964457
Energy: 0.605214753006779
Energy: 0.5877809993943967
Energy: 0.5866945862791867
Energy: 0.618090390922681
Energy: 0.5866945862785059
Energy: 0.6264389214804195
Energy: 0.5890306725295458
Energy: 0.5891076366525573
Energy: 0.5890306725213752
Energy: 0.6179969924444456
Energy: 0.5866252235225438
Energy: 0.5874540728191359
Energy: 0.5866252235218629
Energy: 0.6182811129832484
Energy: 0.6293959741895336
Energy: 0.6239294486573935
Energy: 0.629395974180682
Energy: 0.6164956102920968
Energy: 0.6287808228851155
Energy: 0.6269953964714371
Energy: 0.6287808228844345
Energy: 0.6255999197357277
Energy: 0.6408239040809386
Energy: 0.6219546878348191
Energy: 0.6408239040897591
Energy: 0.6255311731151995
Energy: 0.6409466195905893
Energy: 0.6255697429324538
Energy: 0.640946619592632
Energy: 0.6232243253823172
Energy: 0.6271171793878579
Energy: 0.6210000142072527
Energy: 0.6271171793830917
Energy: 0.6142758690297899
Energy: 0.6281832132237197
Energy: 0.6195888998030423
Energy: 0.628183213216911
Energy: 0.5864195926632438
Energy: 0.5865007163836162
Energy: 0.6147460367884805
Energy: 0.5865007163883824
Energy: 0.5870992937307182
Energy: 0.5867289151554159
Energy: 0.5993863202089109
Energy: 0.5867289151581395
Energy: 0.5700268221161473
Energy: 0.5881326948479456
Energy: 0.6051453434898993
Energy: 0.5881326948479456

minimum gb energy = 0.5700268221161473 eV
minimum distance =  2.49242156687488 Angstroms
sigma value = 25


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

Energy: 0.933915751275174
Energy: 0.6012872726118637
Energy: 0.6380672407689263
Energy: 0.6012872726118637
Energy: 0.6432563714987476
Energy: 0.6578037609755925
Energy: 0.6221495091034244
Energy: 0.6578037609755925
Energy: 0.6376258838565859
Energy: 0.637284003564318
Energy: 0.621436059819505
Energy: 0.6372840035651096
Energy: 0.6222195828632432
Energy: 0.6203275723808652
Energy: 0.6222090097309065
Energy: 0.6203275723824482
Energy: 0.620291195607868
Energy: 0.6204217262593066
Energy: 0.620865745600973
Energy: 0.6204217262585151
Energy: 0.6242042758033434
Energy: 0.689225462674738
Energy: 0.6220613997641369
Energy: 0.6892254626739466
Energy: 0.6218416615573212
Energy: 0.6813004605213145
Energy: 0.6560218040954978
Energy: 0.6813004605205231
Energy: 0.6508481009338969
Energy: 0.672184766873927
Energy: 0.6614225837243248
Energy: 0.672184766873927
Energy: 0.6212342925800166
Energy: 0.6802234064221717
Energy: 0.6537062183934411
Energy: 0.6802234064213802
Energy: 0.6242645597270379
Energy: 0.6724714273508923
Energy: 0.6210830321279919
Energy: 0.6724714273508923
Energy: 0.5970198940338952
Energy: 0.620403743794632
Energy: 0.6194243528512118
Energy: 0.6204037437970065
Energy: 0.5975574839880206
Energy: 0.6203002118123644
Energy: 0.6213709206371589
Energy: 0.6203002118139472
Energy: 0.6369095493806554
Energy: 0.6372716077973768
Energy: 0.5973067080689194
Energy: 0.6372716077973768
Energy: 0.6218845233745504
Energy: 0.6202852005353598
Energy: 0.6440592919564616
Energy: 0.6202852005369428
Energy: 0.6207001612198414
Energy: 0.637694276598082
Energy: 0.637982251834941
Energy: 0.6376942765988736
Energy: 0.6218761236066632
Energy: 0.6209098943509108
Energy: 0.621577329471381
Energy: 0.6209098943517023
Energy: 0.6234083716864632
Energy: 0.6224453839505131
Energy: 0.6201846195760169
Energy: 0.6224453839481385
Energy: 0.6216486058761349
Energy: 0.6203288531797436
Energy: 0.6291822571587212
Energy: 0.6203288531813266
Energy: 0.6560069680571711
Energy: 0.6853836068379321
Energy: 0.6216977082215095
Energy: 0.6853836068355577
Energy: 0.6068185520172589
Energy: 0.6731597361025344
Energy: 0.655973851243675
Energy: 0.6731597361009514
Energy: 0.6535573430963666
Energy: 0.6711922420381838
Energy: 0.6233477365828819
Energy: 0.6711922420389753
Energy: 0.6434218116135706
Energy: 0.6719994168701253
Energy: 0.6574705907681705
Energy: 0.6719994168709168
Energy: 0.6191126868399847
Energy: 0.6203629533352962
Energy: 0.5976754773624052
Energy: 0.6203629533337132
Energy: 0.6212921418162766
Energy: 0.6205646356957217
Energy: 0.597590827615226
Energy: 0.6205646356965133
Energy: 0.5970644796487853
Energy: 0.6216101689699907
Energy: 0.6383960375051999
Energy: 0.6216101689699907

minimum gb energy = 0.5970198940338952 eV
minimum distance =  2.49570519631572 Angstroms
sigma value = 9


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

Energy: 0.8641333863632519
Energy: 0.6302492104766682
Energy: 0.6737122879187637
Energy: 0.6302492104747796
Energy: 0.6892626007056128
Energy: 0.6906324333259427
Energy: 0.6617639961146963
Energy: 0.6906324333212218
Energy: 0.6731098240566297
Energy: 0.6728232578617731
Energy: 0.6720086954966137
Energy: 0.6728232578636616
Energy: 0.6585882478309008
Energy: 0.6613162249370625
Energy: 0.6616206055453443
Energy: 0.6613162249361183
Energy: 0.6598162365033358
Energy: 0.6612410231541207
Energy: 0.6607286372404116
Energy: 0.6612410231531766
Energy: 0.6594399470466498
Energy: 0.7334827593583717
Energy: 0.6636251289309428
Energy: 0.7334827593564833
Energy: 0.6931593152112461
Energy: 0.7255242425501226
Energy: 0.6622455549545532
Energy: 0.7255242425520111
Energy: 0.662234176603068
Energy: 0.727128650840459
Energy: 0.6633052216223038
Energy: 0.7271286508366821
Energy: 0.6599945564460351
Energy: 0.6614589479050008
Energy: 0.6244683580695918
Energy: 0.6614589479050008
Energy: 0.6616122719850547
Energy: 0.6615645932282201
Energy: 0.6238880197939193
Energy: 0.661564593223499
Energy: 0.6251153064610245
Energy: 0.6731315318065662
Energy: 0.6723006393104536
Energy: 0.6731315318084545
Energy: 0.6894858331834587
Energy: 0.6595803298675444
Energy: 0.662081959785115
Energy: 0.6595803298675444
Energy: 0.6725963977594869
Energy: 0.6730705848540243
Energy: 0.6717856042726544
Energy: 0.6730705848540243
Energy: 0.6582659522524266
Energy: 0.6616320083871526
Energy: 0.6580396193774966
Energy: 0.6616320083862084
Energy: 0.6600395554066482
Energy: 0.6595848491268899
Energy: 0.662833674887063
Energy: 0.6595848491306666
Energy: 0.6592827280586455
Energy: 0.6618689011185803
Energy: 0.6621757335126358
Energy: 0.6618689011166919
Energy: 0.6906336767818824
Energy: 0.7281456566411189
Energy: 0.6620197941619999
Energy: 0.7281456566439514
Energy: 0.6893492340885441
Energy: 0.7268464147491285
Energy: 0.6620449227072147
Energy: 0.7268464147472401
Energy: 0.6596702747456528
Energy: 0.6616208607842078
Energy: 0.6237771811421452
Energy: 0.6616208607860964
Energy: 0.6617125478604141
Energy: 0.6615218368903969
Energy: 0.6237925109457747
Energy: 0.6615218368922855
Energy: 0.6242850326366237
Energy: 0.6593564771739727
Energy: 0.6738195400065218
Energy: 0.6593564771720843

minimum gb energy = 0.6237771811421452 eV
minimum distance =  2.50216607430551 Angstroms
sigma value = 25


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

Energy: 0.7679628930164065
Energy: 0.6623064713441734
Energy: 0.7161082598714278
Energy: 0.6623064713441734
Energy: 0.6556891852062209
Energy: 0.7051237022278757
Energy: 0.6737272033168167
Energy: 0.7051237022278757
Energy: 0.7152540763664635
Energy: 0.7148540035817125
Energy: 0.7136732021545783
Energy: 0.7148540035828802
Energy: 0.6585394109684543
Energy: 0.7060056951509736
Energy: 0.6743089199447135
Energy: 0.7060056951509736
Energy: 0.7105892168160717
Energy: 0.7240617753949328
Energy: 0.6745007248969545
Energy: 0.7240617753961005
Energy: 0.6575052320120027
Energy: 0.729216945485892
Energy: 0.6730373192775374
Energy: 0.729216945485892
Energy: 0.6549968026331411
Energy: 0.7247511800480125
Energy: 0.6740347217143183
Energy: 0.7247511800456772
Energy: 0.6545287747354938
Energy: 0.7245338869021727
Energy: 0.6757735950704605
Energy: 0.7245338869021727
Energy: 0.7143335031796804
Energy: 0.7148880127773841
Energy: 0.7645272023361918
Energy: 0.7148880127762164
Energy: 0.6751944223001226
Energy: 0.7297462176870255
Energy: 0.6547469769367346
Energy: 0.7297462176881931
Energy: 0.7133063849780295
Energy: 0.7147264389920628
Energy: 0.7153071674486927
Energy: 0.7147264389920628
Energy: 0.6566784355954371
Energy: 0.7241313914501109
Energy: 0.7264810667185434
Energy: 0.7241313914501109
Energy: 0.6734691079313018
Energy: 0.7290381091678263
Energy: 0.7105374979738356
Energy: 0.7290381091678263
Energy: 0.675668263574536
Energy: 0.7254205165410905
Energy: 0.6593374849701702
Energy: 0.7254205165422581
Energy: 0.7118806498663862
Energy: 0.7240567959237237
Energy: 0.6546491000824479
Energy: 0.7240567959237237
Energy: 0.6736387861067114
Energy: 0.72418208577517
Energy: 0.6546595613075715
Energy: 0.7241820857763378
Energy: 0.7647680652951084
Energy: 0.6584430475825572
Energy: 0.7163240540277107
Energy: 0.6584430475837248

minimum gb energy = 0.6545287747354938 eV
minimum distance =  2.5746303871561 Angstroms
sigma value = 17


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

Energy: 1.0494854960616662
Energy: 0.7409847004910871
Energy: 0.7727821774499909
Energy: 0.7409847004937326
Energy: 0.6754360700230377
Energy: 0.7078949243641953
Energy: 0.7584393818125273
Energy: 0.7078949243668406
Energy: 0.7099904587011018
Energy: 0.7072095763217975
Energy: 0.7444632261486792
Energy: 0.7072095763204748
Energy: 0.7077385474085385
Energy: 0.7451062080573823
Energy: 0.7143439480679867
Energy: 0.7451062080560596
Energy: 0.7088893865613476
Energy: 0.7719254353977841
Energy: 0.6762078522938456
Energy: 0.7719254353958002
Energy: 0.7103971438477749
Energy: 0.7688091196186164
Energy: 0.7079756055318288
Energy: 0.7688091196192778
Energy: 0.7355195153233115
Energy: 0.7073150678344939
Energy: 0.7064494421796252
Energy: 0.7073150678351553
Energy: 0.7515983493196083
Energy: 0.7090818848302692
Energy: 0.6914591487166396
Energy: 0.7090818848329147
Energy: 0.7769898439606414
Energy: 0.7737738349541537
Energy: 0.7443191182880596
Energy: 0.773773834954815
Energy: 0.7825391584431266
Energy: 0.7805823757473025
Energy: 0.7151646293021877
Energy: 0.7805823757479637
Energy: 0.7064782592730059
Energy: 0.7078896269282241
Energy: 0.688042661793087
Energy: 0.7078896269288854
Energy: 0.7475334416255146
Energy: 0.7082396058112899
Energy: 0.6910097059165459
Energy: 0.7082396058099673
Energy: 0.7362090099830412
Energy: 0.7086070424496961
Energy: 0.707714854392092
Energy: 0.7086070424496961
Energy: 0.7363205543329446
Energy: 0.7087395565847695
Energy: 0.6884269009333602
Energy: 0.7087395565841081
Energy: 0.7772748696056134
Energy: 0.7528501169893056
Energy: 0.7528055163464249
Energy: 0.7528501169906282
Energy: 0.7729423080985662
Energy: 0.7843220205881694
Energy: 0.7524185589828599
Energy: 0.7843220205888307
Energy: 0.7749034508508704
Energy: 0.7083777885265319
Energy: 0.707468303307551
Energy: 0.708377788528516
Energy: 0.7494399982560938
Energy: 0.7069734832687895
Energy: 0.7060386013824721
Energy: 0.7069734832694508
Energy: 0.709828563199239
Energy: 0.77272559849272
Energy: 0.7077115891026552
Energy: 0.7727255984920587
Energy: 0.7376159573619925
Energy: 0.7691644818553841
Energy: 0.7075629055956533
Energy: 0.7691644818560455
Energy: 0.7078954531210664
Energy: 0.7095822495927627
Energy: 0.7525045899229692
Energy: 0.7095822495960694
Energy: 0.7080110682652987
Energy: 0.7078945366843113
Energy: 0.7351310780169319
Energy: 0.7078945366836501
Energy: 0.7138119355546947
Energy: 0.7564122565419171
Energy: 0.7542893104596753
Energy: 0.7564122565432397
Energy: 0.7445957345077573
Energy: 0.7732799318036528
Energy: 0.7731604236248055
Energy: 0.7732799318036528
Energy: 0.692478832633495
Energy: 0.7084100275706748
Energy: 0.7455605342178296
Energy: 0.7084100275706748
Energy: 0.7041308635709438
Energy: 0.7085660975407213
Energy: 0.7063450568010919
Energy: 0.70856609754006
Energy: 0.6877191543546362
Energy: 0.6899281651717016
Energy: 0.7408655130006551
Energy: 0.6899281651736856
Energy: 0.6925272402543213
Energy: 0.7082368458543604
Energy: 0.7357339323560793
Energy: 0.7082368458524064
Energy: 0.7055528982724792
Energy: 0.7090121598049312
Energy: 0.7389092075286487
Energy: 0.7090121598055924
Energy: 0.7507038454174789
Energy: 0.7737877146748344
Energy: 0.7719580691472925
Energy: 0.773787714674173

minimum gb energy = 0.6754360700230377 eV
minimum distance =  2.57573516796828 Angstroms
sigma value = 53


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

Energy: 0.9472899644629064
Energy: 0.6575147801560282
Energy: 0.736901939092441
Energy: 0.6575147801621181
Energy: 0.8165432832864818
Energy: 0.6899919810922784
Energy: 0.7342968261143332
Energy: 0.6899919810922784
Energy: 0.7352710268488512
Energy: 0.7345797514363425
Energy: 0.7301828845734999
Energy: 0.7345797514393876
Energy: 0.7339926001873379
Energy: 0.6909381415977638
Energy: 0.7417986445991879
Energy: 0.6909381416008088
Energy: 0.7350790409417493
Energy: 0.6907635420812756
Energy: 0.6510264317956288
Energy: 0.6907635420782305
Energy: 0.7419295812319127
Energy: 0.6921578847008543
Energy: 0.6605085317596003
Energy: 0.6921578846993316
Energy: 0.8041361626630888
Energy: 0.7341901559275381
Energy: 0.7346274926999149
Energy: 0.7341901559275381
Energy: 0.8064285773871073
Energy: 0.6916915324097802
Energy: 0.7412513687241278
Energy: 0.6916915324113027
Energy: 0.7358139831551405
Energy: 0.7343705333468548
Energy: 0.7304706632200099
Energy: 0.7343705333498997
Energy: 0.7409411423795207
Energy: 0.6914892931564542
Energy: 0.7339342340560413
Energy: 0.6914892931549318
Energy: 0.7341993102333783
Energy: 0.6944513381528
Energy: 0.6632575327065544
Energy: 0.6944513381528
Energy: 0.7346581485675114
Energy: 0.6906404926633545
Energy: 0.6490784380641347
Energy: 0.6906404926633545
Energy: 0.8060765491429429
Energy: 0.6924666787389218
Energy: 0.74092354249393
Energy: 0.6924666787373993

minimum gb energy = 0.6490784380641347 eV
minimum distance =  2.56205738030945 Angstroms
sigma value = 9


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

Energy: 0.9828256943697018
Energy: 0.7896059820450426
Energy: 0.8121783702362406
Energy: 0.7896059820427886
Energy: 0.7164878258657617
Energy: 0.7013142194651172
Energy: 0.8198384478517063
Energy: 0.7013142194651172
Energy: 0.7083965319315931
Energy: 0.7037993987731692
Energy: 0.8325595994446265
Energy: 0.7037993987714788
Energy: 0.7058035531067011
Energy: 0.7034853474819694
Energy: 0.8225309849163753
Energy: 0.703485347481406
Energy: 0.7025235564173995
Energy: 0.7015520533162318
Energy: 0.8375466269177577
Energy: 0.7015520533105969
Energy: 0.7024569287739763
Energy: 0.7013626641080086
Energy: 0.8346383829287448
Energy: 0.7013626641119531
Energy: 0.7849727292765567
Energy: 0.8087940809887124
Energy: 0.8158360458488721
Energy: 0.8087940809942961
Energy: 0.7865480915895421
Energy: 0.8122990302342435
Energy: 0.8097418686317676
Energy: 0.812299030235934
Energy: 0.7368986480155902
Energy: 0.7614272570232914
Energy: 0.7749978622088818
Energy: 0.7614272570221644
Energy: 0.7264108906527643
Energy: 0.7709451442766448
Energy: 0.8133975535828778
Energy: 0.7709451442828433
Energy: 0.7341741030999166
Energy: 0.7365511416097211
Energy: 0.7436242804599238
Energy: 0.7365511416091578
Energy: 0.7467556210354539
Energy: 0.7362571656606176
Energy: 0.8440801528306882
Energy: 0.7362571656685065
Energy: 0.7859145725086979
Energy: 0.7447394487539045
Energy: 0.7447689840730114
Energy: 0.7447394487539045
Energy: 0.7858791890619986
Energy: 0.7444234238253303
Energy: 0.7475647979087849
Energy: 0.7444234238275843
Energy: 0.7831019317668388
Energy: 0.7445607867166149
Energy: 0.7533060357404365
Energy: 0.7445607867115435
Energy: 0.7839019143245646
Energy: 0.8023660468191487
Energy: 0.7535070147465663
Energy: 0.8023660468230932
Energy: 0.7682633457475377
Energy: 0.6996228430562023
Energy: 0.7459787757797864
Energy: 0.6996228430590197
Energy: 0.7744056971162331
Energy: 0.7736348988371892
Energy: 0.8549255503240503
Energy: 0.7736348988332448
Energy: 0.7744288274268174
Energy: 0.6964721416299068
Energy: 0.7172131461126295
Energy: 0.6964721416299068
Energy: 0.8927420205284479
Energy: 0.7204188157489938
Energy: 0.7213270715195775
Energy: 0.720418815755756
Energy: 0.7952848579836885
Energy: 0.7229392130198427
Energy: 0.7220278343102031
Energy: 0.7229392130204062
Energy: 0.834668407599843
Energy: 0.715470565345737
Energy: 0.7150412048469588
Energy: 0.7154705653434832
Energy: 0.8382469654041466
Energy: 0.7163554068274176
Energy: 0.7218436898942743
Energy: 0.7163554068302351
Energy: 0.8220630469094764
Energy: 0.812744072278224
Energy: 0.7851753126491938
Energy: 0.812744072273716
Energy: 0.813605908529799
Energy: 0.8142666618255834
Energy: 0.785681317755735
Energy: 0.8142666618368533
Energy: 0.7436560092095826
Energy: 0.8152499348654516
Energy: 0.7312395585039666
Energy: 0.815249934868269
Energy: 0.8200265765669205
Energy: 0.7316756679945967
Energy: 0.7264693161406418
Energy: 0.7316756679906522
Energy: 0.7437515468528607
Energy: 0.7678989503135107
Energy: 0.7304906213387584
Energy: 0.7678989503096174
Energy: 0.8409125923348639
Energy: 0.7511885498588472
Energy: 0.7430143297198933
Energy: 0.7511885498622283
Energy: 0.7434634568643004
Energy: 0.7312906197260662
Energy: 0.7861367896044364
Energy: 0.731290619717665
Energy: 0.7353751497337484
Energy: 0.731541714645358
Energy: 0.8340719604312139
Energy: 0.731541714644231
Energy: 0.7385868851180342
Energy: 0.7335566537537174
Energy: 0.8093544933425151
Energy: 0.7335566537514634
Energy: 0.7405443767406875
Energy: 0.7823178045578567
Energy: 0.7838881413238515
Energy: 0.7823178045601107
Energy: 0.7317767045909893
Energy: 0.7038819717403995
Energy: 0.7866757985190451
Energy: 0.7038819717392725
Energy: 0.839687192987857
Energy: 0.8093046726540679
Energy: 0.8102669421887136
Energy: 0.809304672658576

minimum gb energy = 0.6964721416299068 eV
minimum distance =  2.5861682690986 Angstroms
sigma value = 73


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

Energy: 0.9691546764560034
Energy: 0.7363374154729594
Energy: 0.7829763263086564
Energy: 0.7363374154702772
Energy: 0.733457746159628
Energy: 0.7058001284176233
Energy: 0.7780338834291953
Energy: 0.7058001284167293
Energy: 0.7109145871840227
Energy: 0.7092604918317739
Energy: 0.797661386452711
Energy: 0.7092604918308799
Energy: 0.7080686529281852
Energy: 0.7078940420225462
Energy: 0.8432034513244802
Energy: 0.7078940420207581
Energy: 0.7087198510689335
Energy: 0.7086719716478412
Energy: 0.8109151299127618
Energy: 0.7086719716478412
Energy: 0.7069702778032594
Energy: 0.7085427343538488
Energy: 0.8108448339324846
Energy: 0.7085427343565309
Energy: 0.738893511838498
Energy: 0.7947328023195258
Energy: 0.8048736220748344
Energy: 0.7947328023168436
Energy: 0.738131887849188
Energy: 0.7955928521523311
Energy: 0.793429425348174
Energy: 0.7955928521523311
Energy: 0.7287954819365143
Energy: 0.7781522002703375
Energy: 0.7952415164699289
Energy: 0.7781522002729993
Energy: 0.7426992282583192
Energy: 0.7311710001885515
Energy: 0.7960236044106869
Energy: 0.7311710001939158
Energy: 0.730397782764935
Energy: 0.6911466497389706
Energy: 0.7006419684835853
Energy: 0.6911466497407381
Energy: 0.7295557827337352
Energy: 0.6937844054968662
Energy: 0.8331930310038739
Energy: 0.6937844054995483
Energy: 0.8033887703003635
Energy: 0.7387798947476168
Energy: 0.7279055984369431
Energy: 0.7387798947485109
Energy: 0.7970068913212771
Energy: 0.7314720220117692
Energy: 0.7285378588065875
Energy: 0.7314720220117692
Energy: 0.8043834360077412
Energy: 0.7298712173973039
Energy: 0.7281759001091331
Energy: 0.7298712173990921
Energy: 0.8105828131929866
Energy: 0.7287357222418457
Energy: 0.728767319481389
Energy: 0.7287357222409515
Energy: 0.810666589314842
Energy: 0.7811772745197514
Energy: 0.7282798457070259
Energy: 0.7811772745224335
Energy: 0.7842729757871729
Energy: 0.7842768289133861
Energy: 0.7390682149488987
Energy: 0.7842768289160682
Energy: 0.7760181984156481
Energy: 0.7540382617848146
Energy: 0.7376300713842092
Energy: 0.7540382617866026
Energy: 0.796093724914279
Energy: 0.7550595147878806
Energy: 0.7728763381371707
Energy: 0.7550595147905625
Energy: 0.7764800712627267
Energy: 0.7561052249205322
Energy: 0.7357171839478985
Energy: 0.7561052249196383
Energy: 0.8112260435125257
Energy: 0.7726135676053056
Energy: 0.7723332040749222
Energy: 0.7726135676053056

minimum gb energy = 0.6911466497389706 eV
minimum distance =  2.57060597298083 Angstroms
sigma value = 7


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

Energy: 1.1064131704240103
Energy: 0.7149072476705453
Energy: 0.785026383792262
Energy: 0.7149072476692808
Energy: 0.6974117481549788
Energy: 0.7072280672777375
Energy: 0.7716789297555885
Energy: 0.7072280672796339
Energy: 0.7052752616601419
Energy: 0.7075717663381003
Energy: 0.7726392917140151
Energy: 0.707571766326721
Energy: 0.7062220483862257
Energy: 0.7066129598801246
Energy: 0.8332820171617981
Energy: 0.7066129598763317
Energy: 0.705525961326167
Energy: 0.7056950350750121
Energy: 0.8250997944992245
Energy: 0.7056950350788052
Energy: 0.706889916111859
Energy: 0.7061845963957921
Energy: 0.8236104228035899
Energy: 0.7061845963888381
Energy: 0.7695070955499617
Energy: 0.7061664349237305
Energy: 0.7069024181973997
Energy: 0.7061664349281558
Energy: 0.7700740331108464
Energy: 0.7056957776271958
Energy: 0.7037421546084676
Energy: 0.705695777627828
Energy: 0.8346091770722467
Energy: 0.7060950289576868
Energy: 0.7060802348510995
Energy: 0.7060950289526294
Energy: 0.837548503220738
Energy: 0.7078985394468301
Energy: 0.7049910141311488
Energy: 0.7078985394468301
Energy: 0.771093689907975
Energy: 0.7691479568586737
Energy: 0.7087370240132129
Energy: 0.769147956856145
Energy: 0.7719875147394315
Energy: 0.7697410972366323
Energy: 0.7703553740866983
Energy: 0.7697410972397933
Energy: 0.767564917425357
Energy: 0.749612498028422
Energy: 0.7693792624047711
Energy: 0.7496124980303185
Energy: 0.7698047752063618
Energy: 0.7476305856085211
Energy: 0.7138720725300688
Energy: 0.7476305856047281
Energy: 0.7687611002352736
Energy: 0.7491774128984637
Energy: 0.7128851938030879
Energy: 0.7491774129035211
Energy: 0.7139963415298056
Energy: 0.7698100412850767
Energy: 0.7720091665986784
Energy: 0.7698100412819159
Energy: 0.7129119934852761
Energy: 0.7692485479337018
Energy: 0.7714934145534253
Energy: 0.7692485479324374
Energy: 0.7053233443979647
Energy: 0.79288364360801
Energy: 0.7753462590811085
Energy: 0.7928836436130674
Energy: 0.7060770273804505
Energy: 0.7063905851753224
Energy: 0.7720342244715851
Energy: 0.7063905851803799
Energy: 0.7049326285618132
Energy: 0.7055785283496391
Energy: 0.7143921016040956
Energy: 0.7055785283515357
Energy: 0.7066462975788848
Energy: 0.7062755502680474
Energy: 0.8301350000037651
Energy: 0.706275550269944
Energy: 0.7699059622397014
Energy: 0.7058089943206783
Energy: 0.7071570112321865
Energy: 0.7058089943168853
Energy: 0.7700973778867625
Energy: 0.7058900400960825
Energy: 0.7046744268643262
Energy: 0.7058900400967145
Energy: 0.8336029300421647
Energy: 0.7064229482074418
Energy: 0.7059889355006422
Energy: 0.706422948204281
Energy: 0.8349064704833687
Energy: 0.7073675455377498
Energy: 0.7051260346616425
Energy: 0.7073675455364853
Energy: 0.8207475532215558
Energy: 0.7075570003155905
Energy: 0.7074856079284
Energy: 0.7075570003193837
Energy: 0.785035633334481
Energy: 0.784821635863892
Energy: 0.9716276272349997
Energy: 0.7848216358613633
Energy: 0.7674584409970301
Energy: 0.748631336783458
Energy: 0.7728660892478492
Energy: 0.7486313367777683
Energy: 0.773152915235373
Energy: 0.7476438660881037
Energy: 0.7679500930850349
Energy: 0.7476438660811499
Energy: 0.766998405386494
Energy: 0.7490312373594342
Energy: 0.7133364863054291
Energy: 0.749031237351848
Energy: 0.7128358672676924
Energy: 0.7682128914891653
Energy: 0.7685022198180341
Energy: 0.7682128914866366

minimum gb energy = 0.6974117481549788 eV
minimum distance =  2.5559499341771 Angstroms
sigma value = 29


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

Energy: 0.6514405602053794
Energy: 0.6526604438922574
Energy: 0.7251516731604344
Energy: 0.6526604438918414
Energy: 0.6632708788149788
Energy: 0.7111761984376713
Energy: 0.6664741377276555
Energy: 0.7111761984370352
Energy: 0.6644865228399905
Energy: 0.6999493008383565
Energy: 0.6542401583286335
Energy: 0.6999493008368638
Energy: 0.6572875964015603
Energy: 0.6623352432251504
Energy: 0.6654682850891386
Energy: 0.6623352432242695
Energy: 0.6615887884585626
Energy: 0.6635137216875601
Energy: 0.6560602309108517
Energy: 0.6635137216869238
Energy: 0.6639169888320304
Energy: 0.7067504735056156
Energy: 0.6573622099037288
Energy: 0.706750473506056
Energy: 0.6543208600277212
Energy: 0.6998390667261045
Energy: 0.6645365969900715
Energy: 0.699839066726961
Energy: 0.6660285647396494
Energy: 0.6670528221065962
Energy: 0.660040832959754
Energy: 0.6670528221059601
Energy: 0.671472201296222
Energy: 0.6638049007558952
Energy: 0.6657891154652077
Energy: 0.6638049007548187

minimum gb energy = 0.6514405602053794 eV
minimum distance =  2.5412054575039 Angstroms
sigma value = 5


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

Energy: 0.8714264979879608
Energy: 0.6315695910399974
Energy: 0.7421255203009218
Energy: 0.6315695910399974
Energy: 0.6642236159182634
Energy: 0.6507610024670185
Energy: 0.7448410623633268
Energy: 0.6507610024664213
Energy: 0.7435897106803898
Energy: 0.6985135309907085
Energy: 0.7449866092045219
Energy: 0.6985135309919027
Energy: 0.6636545397130729
Energy: 0.648273306840585
Energy: 0.7374057207559678
Energy: 0.6482733068376263
Energy: 0.7365009837812456
Energy: 0.648308849239812
Energy: 0.7565374192197115
Energy: 0.648308849239812
Energy: 0.6487046150451711
Energy: 0.6489314076798525
Energy: 0.7545231058455067
Energy: 0.6489314076804497
Energy: 0.647919675946754
Energy: 0.6480248858065804
Energy: 0.7380698872474579
Energy: 0.648024885805386
Energy: 0.6547808457852565
Energy: 0.6509735056726409
Energy: 0.8078968725612657
Energy: 0.6509735056720437
Energy: 0.6667003278541377
Energy: 0.667608205214639
Energy: 0.8140329222746701
Energy: 0.6676082052140418
Energy: 0.7664572502739934
Energy: 0.6343175346755741
Energy: 0.6382783427222503
Energy: 0.6343175346743797
Energy: 0.6663572797066661
Energy: 0.6331069303811333
Energy: 0.6337835317820643
Energy: 0.6331069303805361
Energy: 0.8144721776527387
Energy: 0.6321168225150635
Energy: 0.6324574524789683
Energy: 0.6321168225144663
Energy: 0.8181346844819993
Energy: 0.6325415006173327
Energy: 0.6333543686047943
Energy: 0.632541500618527
Energy: 0.6488588645996377
Energy: 0.6650285083874049
Energy: 0.7562632015083544
Energy: 0.6650285083880021
Energy: 0.648741542249714
Energy: 0.6479934566650933
Energy: 0.754630300462704
Energy: 0.6479934566644961
Energy: 0.651009863501451
Energy: 0.6494219936600616
Energy: 0.7373492726699651
Energy: 0.6494219936582701
Energy: 0.6490434643556906
Energy: 0.6492897183014142
Energy: 0.663353829982562
Energy: 0.649289718300817
Energy: 0.7496015537578465
Energy: 0.6513125517518769
Energy: 0.6645957316573048
Energy: 0.6513125517542656
Energy: 0.7465272352651164
Energy: 0.6997755164791375
Energy: 0.7426512966820189
Energy: 0.6997755164797347
Energy: 0.7382292878567476
Energy: 0.6478045509552757
Energy: 0.6620802364938966
Energy: 0.6478045509564702
Energy: 0.7550532672808409
Energy: 0.6599190827101329
Energy: 0.7376590524400272
Energy: 0.6599190827095358
Energy: 0.7569969265381995
Energy: 0.6483396047826064
Energy: 0.6479520875941914
Energy: 0.6483396047832035
Energy: 0.7373174778771486
Energy: 0.6480771190370921
Energy: 0.6486418596050993
Energy: 0.6480771190364949
Energy: 0.8228791402383139
Energy: 0.6498473300062917
Energy: 0.6520100803018598
Energy: 0.6498473300080831
Energy: 0.8161893830820774
Energy: 0.6648696797211044
Energy: 0.6660045607121988
Energy: 0.6648696797205071
Energy: 0.6337353681821437
Energy: 0.6354762343314554
Energy: 0.7665402672551682
Energy: 0.6354762343290667
Energy: 0.634650146863101
Energy: 0.6337008651965086
Energy: 0.6669219228331092
Energy: 0.6337008651971059
Energy: 0.6323346093872522
Energy: 0.6341987495014161
Energy: 0.6859877228119179
Energy: 0.6341987495002217
Energy: 0.633151265378377
Energy: 0.6333643646795376
Energy: 0.8189027276160067
Energy: 0.6333643646783431
Energy: 0.7417331995739176
Energy: 0.6642471107636172
Energy: 0.6656109062251947
Energy: 0.664247110759437
Energy: 0.7554648308312205
Energy: 0.6484644403103622
Energy: 0.6494930777469887
Energy: 0.6484644403109594
Energy: 0.7372469580863275
Energy: 0.6489638641906054
Energy: 0.6488153027163199
Energy: 0.6489638641906054
Energy: 0.6641448389462008
Energy: 0.6483350509150277
Energy: 0.6483145728274097
Energy: 0.648335050915625

minimum gb energy = 0.6315695910399974 eV
minimum distance =  2.54026815285986 Angstroms
sigma value = 1


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

Energy: 0.9210470788235325
Energy: 0.5964630545761863
Energy: 0.7175658413163717
Energy: 0.5964630545761863
Energy: 0.6322656490779512
Energy: 0.6173732288234657
Energy: 0.7435432231107989
Energy: 0.61737322882264
Energy: 0.7436841343207007
Energy: 0.6798056045977195
Energy: 0.7457786881283013
Energy: 0.6798056045952425
Energy: 0.6314561813408102
Energy: 0.6802659555874014
Energy: 0.7379430928977259
Energy: 0.6802659555882271
Energy: 0.6160835709315449
Energy: 0.6147091392666125
Energy: 0.7416836272566341
Energy: 0.6147091392690895
Energy: 0.6150860346545814
Energy: 0.6157027991568554
Energy: 0.7415201244918675
Energy: 0.6157027991585068
Energy: 0.613358587741862
Energy: 0.6142930503701692
Energy: 0.7384426102198124
Energy: 0.6142930503726465
Energy: 0.6197246588089628
Energy: 0.618577520544561
Energy: 0.8406255025169569
Energy: 0.618577520544561
Energy: 0.7403165265497897
Energy: 0.6437813162875747
Energy: 0.8405317073264928
Energy: 0.6437813162859234
Energy: 0.7424430664595971
Energy: 0.618969813741635
Energy: 0.6293841947432034
Energy: 0.618969813744112
Energy: 0.7395636242398144
Energy: 0.6145934305863904
Energy: 0.6137616835511003
Energy: 0.6145934305880417
Energy: 0.8383908142166883
Energy: 0.621691647714465
Energy: 0.6150178715695379
Energy: 0.621691647716942
Energy: 0.8387850332760615
Energy: 0.6147009041811946
Energy: 0.6150854394044386
Energy: 0.6147009041852856
Energy: 0.7375651459856502
Energy: 0.67952216935313
Energy: 0.7445624984308535
Energy: 0.6795221693547814
Energy: 0.63317645733612
Energy: 0.6790304917196871
Energy: 0.7436247349069898
Energy: 0.6790304917188614
Energy: 0.6354837863115591
Energy: 0.6161074116693644
Energy: 0.7388904087127051
Energy: 0.6161074116611075
Energy: 0.6151523473617831
Energy: 0.6151714292716803
Energy: 0.7438835117825597
Energy: 0.6151714292716803
Energy: 0.6246331006972593
Energy: 0.6182516439977301
Energy: 0.7375545644252652
Energy: 0.6182516439977301
Energy: 0.6137130328059032
Energy: 0.6143966264063395
Energy: 0.843634629505241
Energy: 0.6143966264063395
Energy: 0.615695837970146
Energy: 0.6192934993338898
Energy: 0.8405666111254765
Energy: 0.6192934993330641
Energy: 0.7417219400340499
Energy: 0.6414313925394913
Energy: 0.7376287890148384
Energy: 0.6414313925345372
Energy: 0.7426799842939659
Energy: 0.6159301833118361
Energy: 0.6184999686144307
Energy: 0.6159301833118361
Energy: 0.7384078553709819
Energy: 0.6145153778175637
Energy: 0.6148704581275145
Energy: 0.6145153778192151
Energy: 0.8387627267292201
Energy: 0.6147905616024265
Energy: 0.6150899921668391
Energy: 0.6147905616032523

minimum gb energy = 0.5964630545761863 eV
minimum distance =  2.53647557089619 Angstroms
sigma value = 17


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

Energy: 0.9814595123273114
Energy: 0.5983629616450129
Energy: 0.7226032979971596
Energy: 0.5983629616414405
Energy: 0.6236915539706678
Energy: 0.6117501586070029
Energy: 0.692843501660566
Energy: 0.6117501586029203
Energy: 0.7573469942871242
Energy: 0.6082743544591724
Energy: 0.705483115273842
Energy: 0.6082743544627448
Energy: 0.7895427078405914
Energy: 0.6403344280712139
Energy: 0.687686942908294
Energy: 0.6403344280686621
Energy: 0.6774293461907156
Energy: 0.597841748508192
Energy: 0.7874521865247951
Energy: 0.5978417485071714
Energy: 0.5984241053151619
Energy: 0.5974986030198401
Energy: 0.7896537170115163
Energy: 0.5974986030188196
Energy: 0.5983339805006898
Energy: 0.5979245615673296
Energy: 0.6881430398134756
Energy: 0.5979245615663091
Energy: 0.6033862816489639
Energy: 0.599023135723933
Energy: 0.8031837771331621
Energy: 0.599023135723933
Energy: 0.7838324962207077
Energy: 0.5992766122996801
Energy: 0.7563674776155004
Energy: 0.5992766123017215
Energy: 0.7064020902053327
Energy: 0.642590031327375
Energy: 0.6992857393040667
Energy: 0.6425900313248234
Energy: 0.7815079600928134
Energy: 0.6086626025781563
Energy: 0.6183540371350122
Energy: 0.6086626025781563
Energy: 0.7866222199373751
Energy: 0.6130740557922122
Energy: 0.6876820099030214
Energy: 0.6130740557932329
Energy: 0.7920784997175682
Energy: 0.6086378546165881
Energy: 0.6095378959084643
Energy: 0.6086378546145468
Energy: 0.7123122347188003
Energy: 0.6095636258361131
Energy: 0.6101721082180693
Energy: 0.6095636258361131
Energy: 0.7863501617331781
Energy: 0.6114106604899399
Energy: 0.613098267643867
Energy: 0.6114106604955536
Energy: 0.8164210617517105
Energy: 0.609698443414441
Energy: 0.612570827427199
Energy: 0.6096984434108687
Energy: 0.6094337970764778
Energy: 0.6139377133893538
Energy: 0.7814872404128563
Energy: 0.6139377133883329
Energy: 0.6089490482993303
Energy: 0.6087813439056116
Energy: 0.7844563941042497
Energy: 0.6087813439071426
Energy: 0.6109468824278977
Energy: 0.6113266762027799
Energy: 0.755020769456836
Energy: 0.6113266762012488
Energy: 0.6101664539407273
Energy: 0.6087848763378672
Energy: 0.810281382712628
Energy: 0.608784876339398
Energy: 0.6917883429843741
Energy: 0.6104290989578347
Energy: 0.677879192133851
Energy: 0.6104290989568141
Energy: 0.7058956784968416
Energy: 0.6105888731689816
Energy: 0.7584521020580985
Energy: 0.6105888731705126
Energy: 0.6882105588563194
Energy: 0.6391830473434468
Energy: 0.786884066546423
Energy: 0.6391830473444675
Energy: 0.8049704319180173
Energy: 0.5990486706467942
Energy: 0.6771476953914393
Energy: 0.5990486706473047
Energy: 0.7870769359062278
Energy: 0.5970019782515797
Energy: 0.5975327670951535
Energy: 0.5970019782505592
Energy: 0.6885822894439637
Energy: 0.598612483887422
Energy: 0.6007022713144534
Energy: 0.5986124838909945
Energy: 0.6953564217137137
Energy: 0.598471535174434
Energy: 0.602512754402142
Energy: 0.598471535174434
Energy: 0.6894924946784478
Energy: 0.5986754177426555
Energy: 0.7856454593417456
Energy: 0.5986754177416349
Energy: 0.6937161225650236
Energy: 0.6414209316232076
Energy: 0.7059491084863128
Energy: 0.6414209316221868
Energy: 0.619184605309825
Energy: 0.6085986363566818
Energy: 0.7806077628304555
Energy: 0.6085986363541763
Energy: 0.6876430989986354
Energy: 0.6087419523758418
Energy: 0.7892280823314757
Energy: 0.6087419523738004
Energy: 0.6091840264263317
Energy: 0.6085331432445434
Energy: 0.7891119027854334
Energy: 0.6085331432445434
Energy: 0.6089619203101024
Energy: 0.6092038967205968
Energy: 0.7132392835620266
Energy: 0.6092038967190658
Energy: 0.6148875715819039
Energy: 0.6117474755697646
Energy: 0.789289210317698
Energy: 0.6117474755682336
Energy: 0.7168007027930439
Energy: 0.6288414516744857
Energy: 0.8149971727931808
Energy: 0.6288414516586652
Energy: 0.8881768560303167
Energy: 0.612422322619145
Energy: 0.6104039845544289
Energy: 0.6124223226273104
Energy: 0.7827435109580657
Energy: 0.6091053223489572
Energy: 0.6095391939647509
Energy: 0.6091053223509985
Energy: 0.7571664099091883
Energy: 0.611883294007715
Energy: 0.6095504101390592
Energy: 0.6118832940061839

minimum gb energy = 0.5970019782505592 eV
minimum distance =  2.53455190564014 Angstroms
sigma value = 89


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

Energy: 1.0281511522905482
Energy: 0.5494606693736733
Energy: 0.5543984309848069
Energy: 0.5494606693750086
Energy: 0.553432004276395
Energy: 0.6025269925925917
Energy: 0.5529790975254474
Energy: 0.6025269925925917
Energy: 0.548021725023255
Energy: 0.6038514972680462
Energy: 0.5644579026711601
Energy: 0.6038514972680462
Energy: 0.5488720062580034
Energy: 0.6047228716054543
Energy: 0.5521650507191826
Energy: 0.6047228716081251
Energy: 0.5518359874711111
Energy: 0.5516749993647749
Energy: 0.5613087309937419
Energy: 0.5516749993661102
Energy: 0.5527410262240964
Energy: 0.5510548515243728
Energy: 0.5603760283152841
Energy: 0.5510548515257082
Energy: 0.5521337572955093
Energy: 0.5505875923971407
Energy: 0.5533722270149317
Energy: 0.5505875923971407
Energy: 0.5533105376128067
Energy: 0.5542059185152988
Energy: 0.5479298341203791
Energy: 0.554205918516634
Energy: 0.5551935156340017
Energy: 0.5509802864831569
Energy: 0.5489151785645523
Energy: 0.5509802864831569
Energy: 0.5661536585832214
Energy: 0.6066699259504736
Energy: 0.5554863872500078
Energy: 0.6066699259518088
Energy: 0.5536052624704901
Energy: 0.5981355703150433
Energy: 0.5471625412318791
Energy: 0.5981355703177138
Energy: 0.5598234278739773
Energy: 0.5520595137490051
Energy: 0.5537406285072636
Energy: 0.5520595137490051
Energy: 0.5608944075837063
Energy: 0.5525274306102469
Energy: 0.5516019812222283
Energy: 0.5525274306115823
Energy: 0.5527796683518269
Energy: 0.5502729346705472
Energy: 0.5504480099389274
Energy: 0.5502729346705472
Energy: 0.5482797885177665
Energy: 0.5519586470495286
Energy: 0.554684261954818
Energy: 0.5519586470481932

minimum gb energy = 0.5471625412318791 eV
minimum distance =  2.5630192776993 Angstroms
sigma value = 13


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

Energy: 0.9074557812088754
Energy: 0.5215963442233701
Energy: 0.6656615047275779
Energy: 0.5215963442423991
Energy: 0.6388430361143324
Energy: 0.5257341822159827
Energy: 0.6167439116134473
Energy: 0.5257341822120648
Energy: 0.5419643597360534
Energy: 0.5237755876474689
Energy: 0.6192476334747141
Energy: 0.5237755876530656
Energy: 0.7054366380737631
Energy: 0.5259326915522649
Energy: 0.6132458287915606
Energy: 0.5259326915539438
Energy: 0.6165872426503881
Energy: 0.5256845362509676
Energy: 0.7822927487284632
Energy: 0.5256845362599224
Energy: 0.612908641133395
Energy: 0.5251191771677046
Energy: 0.6097938087153001
Energy: 0.525119177176049
Energy: 0.6129111651083587
Energy: 0.5238729672427115
Energy: 0.6112177397167254
Energy: 0.5238729672393535
Energy: 0.612810572827156
Energy: 0.5237063215275408
Energy: 0.6133229123437197
Energy: 0.5237063215275408
Energy: 0.5230795411393705
Energy: 0.5253039735201741
Energy: 0.7294340355809047
Energy: 0.5253039735252112
Energy: 0.5231479917513934
Energy: 0.5239685938626308
Energy: 0.6144643347641039
Energy: 0.5239685938564745
Energy: 0.5253631824515744
Energy: 0.5236822621158177
Energy: 0.9078291136816102
Energy: 0.5236822621079823
Energy: 0.724614336046746
Energy: 0.5530585905532783
Energy: 0.6148273041804976
Energy: 0.5530585905599944
Energy: 0.6234318983613755
Energy: 0.5523729839302549
Energy: 0.6100713960267066
Energy: 0.5523729839313742
Energy: 0.6130783641633042
Energy: 0.5511119154827667
Energy: 0.7060498264550942
Energy: 0.5511119154805282
Energy: 0.6211959184610861
Energy: 0.5259941185834889
Energy: 0.613969260096632
Energy: 0.5259941185773322
Energy: 0.6155949551604366
Energy: 0.5254031949621092
Energy: 0.5264124835593105
Energy: 0.525403194962669
Energy: 0.6131004356054
Energy: 0.5248739727943283
Energy: 0.5252269902838766
Energy: 0.5248739727853734
Energy: 0.859420335626383
Energy: 0.5235728188458918
Energy: 0.5252848528952337
Energy: 0.5235728188425336
Energy: 0.6910114075056097
Energy: 0.5258471847707331
Energy: 0.6091715145200352
Energy: 0.5258471847595395
Energy: 0.6138998683613764
Energy: 0.5231518821478343
Energy: 0.617144938242543
Energy: 0.5231518821511925
Energy: 0.7055531081641567
Energy: 0.524249892267918
Energy: 0.6105796691726721
Energy: 0.5242498922740746
Energy: 0.614149479480905
Energy: 0.523499284524151
Energy: 0.7736245538917814
Energy: 0.5234992845146365
Energy: 0.6171506575489306
Energy: 0.5268655989216994
Energy: 0.7830803948205891
Energy: 0.5268655989351315
Energy: 0.5271680279219234
Energy: 0.5230354496689499
Energy: 0.6135577288447491
Energy: 0.5230354496634041
Energy: 0.6113054229289592
Energy: 0.5242574494020547
Energy: 0.6137570468002711
Energy: 0.5242574494082111
Energy: 0.5242493232982285
Energy: 0.5231510363423384
Energy: 0.6159696600222371
Energy: 0.5231510363490545
Energy: 0.5238082914562863
Energy: 0.523551628061692
Energy: 0.7246085745118643
Energy: 0.5235516280689678
Energy: 0.5239549181603215
Energy: 0.5261760338029462
Energy: 0.8602419376797196
Energy: 0.5261760338057445
Energy: 0.7230806284976726
Energy: 0.5237017554268599
Energy: 0.6913643536554883
Energy: 0.5237017554218228
Energy: 0.6167476746239952
Energy: 0.5510875548508954
Energy: 0.7221415994490714
Energy: 0.551087554857001
Energy: 0.6139017940911838
Energy: 0.55200066235938
Energy: 0.7059983333198344
Energy: 0.5520006623649768
Energy: 0.61606824030568
Energy: 0.524693029223941
Energy: 0.6098546425970802
Energy: 0.5246930292267393
Energy: 0.6216335734402041
Energy: 0.525902484610169
Energy: 0.5334192110621728
Energy: 0.525902484618564
Energy: 0.7231162742651183
Energy: 0.5239225437528983
Energy: 0.5238734780921649
Energy: 0.5239225437517789
Energy: 0.6907217397208965
Energy: 0.5246100532541408
Energy: 0.5265596580860724
Energy: 0.5246100532541408

minimum gb energy = 0.5215963442233701 eV
minimum distance =  2.56334109472166 Angstroms
sigma value = 37


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

Energy: 0.8850241381795658
Energy: 0.4808183209329969
Energy: 0.4883053177481953
Energy: 0.4808183209339599
Energy: 0.7022375715395481
Energy: 0.4864929255539061
Energy: 0.6397548233732073
Energy: 0.4864929255529432
Energy: 0.702406338771593
Energy: 0.4855908306112422
Energy: 0.6364074805598411
Energy: 0.4855908306093164
Energy: 0.7034464611315014
Energy: 0.5450216794768994
Energy: 0.6376788880751749
Energy: 0.5450216794788252
Energy: 0.7698059546772565
Energy: 0.4746926434167912
Energy: 0.7026875522913858
Energy: 0.4746926434167912
Energy: 0.5512042702105806
Energy: 0.4744611066252413
Energy: 0.7018224779040582
Energy: 0.4744611066252413
Energy: 0.5542580038017487
Energy: 0.4743255297991811
Energy: 0.7692640557035557
Energy: 0.474325529800144
Energy: 0.5580311930176575
Energy: 0.47430795833993894
Energy: 0.6975605384728643
Energy: 0.4743079583380131
Energy: 0.5487314698349278
Energy: 0.4754610286519226
Energy: 0.707562116006222
Energy: 0.4754610286519226
Energy: 0.548910352625028
Energy: 0.4722372738811093
Energy: 0.7672599406283725
Energy: 0.47223727387918346
Energy: 0.5851279448360635
Energy: 0.5843440487327791
Energy: 0.7861428311069043
Energy: 0.5843440487337421
Energy: 0.6970946138360096
Energy: 0.4720443636811489
Energy: 0.7674233944534077
Energy: 0.4720443636811489
Energy: 0.6989258471399693
Energy: 0.4715753340740349
Energy: 0.7028834621219797
Energy: 0.4715753340749978
Energy: 0.6980973441743676
Energy: 0.5273924689012185
Energy: 0.7032707216782949
Energy: 0.5273924689012185
Energy: 0.7026875522904228
Energy: 0.5269354416167903
Energy: 0.769054177012002
Energy: 0.5269354416187163
Energy: 0.701822477905984
Energy: 0.5259282395163869
Energy: 0.5513285845142915
Energy: 0.5259282395192756
Energy: 0.7703475725687995
Energy: 0.5251689230208813
Energy: 0.5543170914022176
Energy: 0.5251689230179925
Energy: 0.6975605384555319
Energy: 0.49231324687287287
Energy: 0.49179809522862716
Energy: 0.49231324687190997
Energy: 0.7075621159946891
Energy: 0.48844341910494615
Energy: 0.4866708318365693
Energy: 0.48844341910398326
Energy: 0.7033307238170368
Energy: 0.48704902129711497
Energy: 0.4911148801732793
Energy: 0.4870490212951891

minimum gb energy = 0.4715753340740349 eV
minimum distance =  2.56838208832706 Angstroms
sigma value = 25


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

Energy: 1.021806243773283
Energy: 0.43056642301676823
Energy: 0.5887736454564046
Energy: 0.4305664230445545
Energy: 0.813759625419206
Energy: 0.4292734544426412
Energy: 0.5496526783434008
Energy: 0.4292734544471526
Energy: 0.8129399890117072
Energy: 0.4276314829346307
Energy: 0.5480367142540278
Energy: 0.4276314829323751
Energy: 0.7155384445904845
Energy: 0.4290539946165736
Energy: 0.6563463667499626
Energy: 0.42905399461356597
Energy: 0.7664600549670366
Energy: 0.4729318344467472
Energy: 0.7671932001640771
Energy: 0.47293183444373954
Energy: 0.7122015157012209
Energy: 0.47059644631360054
Energy: 0.7655322125427998
Energy: 0.4705964463181119
Energy: 0.7135277537786169
Energy: 0.4252605568839718
Energy: 0.7629845772080275
Energy: 0.4252605568847238
Energy: 0.5369930299631802
Energy: 0.4217720946779675
Energy: 0.8092113435004216
Energy: 0.42177209467345605
Energy: 0.5394913673108872
Energy: 0.4243068149220779
Energy: 0.7649176422888627
Energy: 0.4243068149250855
Energy: 0.5403520880281445
Energy: 0.42215613024319565
Energy: 0.8560408668012663
Energy: 0.42215613024394766
Energy: 0.48042442868463464
Energy: 0.4259425387139114
Energy: 0.8705655959104869
Energy: 0.4259425387139114
Energy: 0.48262964715152507
Energy: 0.4224801657168609
Energy: 0.8560063754026991
Energy: 0.42248016571234953
Energy: 0.4836000885375257
Energy: 0.42288211561498085
Energy: 0.6646559686861329
Energy: 0.42288211561498085
Energy: 0.49074276270457756
Energy: 0.42186460589490127
Energy: 0.8545350180027566
Energy: 0.4218646058971569
Energy: 0.5987979349469666
Energy: 0.4209088095234924
Energy: 0.8603398004175573
Energy: 0.42090880952499626
Energy: 0.6004758980099846
Energy: 0.4215772380519157
Energy: 0.8138434141043039
Energy: 0.42157723804890807
Energy: 0.6631643193139115
Energy: 0.4222431055131511
Energy: 0.8159873746818118
Energy: 0.4222431054913459
Energy: 0.5986218674019107
Energy: 0.4693438818285568
Energy: 0.6590470394533896
Energy: 0.46934388183382014
Energy: 0.7547671898030139
Energy: 0.4634865529635529
Energy: 0.7135498541422773
Energy: 0.46348655296505675
Energy: 0.8679006549396072
Energy: 0.4691870175500094
Energy: 0.7122416135026215
Energy: 0.4691870175492575
Energy: 0.8707576693744861
Energy: 0.42916040370999126
Energy: 0.5528887921388225
Energy: 0.4291604037054798
Energy: 0.8680663741553859
Energy: 0.42729590029114195
Energy: 0.48189935724366784
Energy: 0.42729590028587866
Energy: 0.8167173502333134
Energy: 0.4295319523491118
Energy: 0.5466124371312232
Energy: 0.4295319523491118
Energy: 0.8103902675622955
Energy: 0.42992114597974096
Energy: 0.4330551921302125
Energy: 0.42992114597222186
Energy: 0.8663275211322017
Energy: 0.4277472706610781
Energy: 0.42857038721409685
Energy: 0.4277472706648376
Energy: 0.8129995574703575
Energy: 0.4289347099342049
Energy: 0.43121423933551223
Energy: 0.4289347099342049

minimum gb energy = 0.4209088095234924 eV
minimum distance =  2.57542215532805 Angstroms
sigma value = 41


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

Energy: 1.0430234059253602
Energy: 0.38829672822546135
Energy: 0.5532253830385065
Energy: 0.3882967282229957
Energy: 0.7544408287779637
Energy: 0.3846832286966224
Energy: 0.4800346384808394
Energy: 0.384683228694773
Energy: 0.9183064361109244
Energy: 0.3836844586243009
Energy: 0.4827081506085908
Energy: 0.3836844586236845
Energy: 0.758044359122231
Energy: 0.38550852427086074
Energy: 0.589151631187021
Energy: 0.38550852426962795
Energy: 0.7596531047612599
Energy: 0.3824391587738004
Energy: 0.6664846117173989
Energy: 0.38243915877318396
Energy: 0.7535870791418368
Energy: 0.516518217247393
Energy: 0.667587790125518
Energy: 0.516518217247393
Energy: 0.7567558117321561
Energy: 0.41968809922075623
Energy: 0.7577574804171362
Energy: 0.4196880992219891
Energy: 0.6758006244816727
Energy: 0.4224304491136511
Energy: 0.6666952827428333
Energy: 0.42243044911919897
Energy: 0.5766304668762466
Energy: 0.38381199779952974
Energy: 0.8358129334012171
Energy: 0.38381199780076264
Energy: 0.5782673549572023
Energy: 0.3826557508863943
Energy: 0.7590725386490693
Energy: 0.3826557508851614
Energy: 0.49078728596781335
Energy: 0.3874039826044931
Energy: 0.8331516318492449
Energy: 0.38740398260572595
Energy: 0.4789656788080852
Energy: 0.38281212643454343
Energy: 0.8352531612508299
Energy: 0.3828121264388585
Energy: 0.4819483698962002
Energy: 0.38661677418136164
Energy: 0.8338951477371003
Energy: 0.38661677418136164
Energy: 0.38963865379338536
Energy: 0.38580445965291066
Energy: 0.8420293539865746
Energy: 0.3858044596559929
Energy: 0.383252442791372
Energy: 0.38323539312963617
Energy: 0.8356488125055583
Energy: 0.3832353931290198
Energy: 0.3879007516094866
Energy: 0.384971907435156
Energy: 0.9194725727807397
Energy: 0.384971907435156
Energy: 0.4883843779779419
Energy: 0.38425041355587913
Energy: 0.9216167868945693
Energy: 0.3842504135564956
Energy: 0.47833580895128497
Energy: 0.38538137753640994
Energy: 0.9172402836842555
Energy: 0.3853813775370264
Energy: 0.4837318256883246
Energy: 0.3840066128126286
Energy: 0.7555686929330471
Energy: 0.38400661281324505
Energy: 0.6701102225988663
Energy: 0.3841801474562762
Energy: 0.75441842958431
Energy: 0.38418014745257767
Energy: 0.6680448651743783
Energy: 0.3829902668027519
Energy: 0.8353060417057875
Energy: 0.3829902668039848
Energy: 0.6704416393828482
Energy: 0.4195814240121378
Energy: 0.7579714268349967
Energy: 0.4195814240127543
Energy: 0.8357552499372126
Energy: 0.41777182730297197
Energy: 0.7522632998679073
Energy: 0.4177718273011226
Energy: 0.6661483137671799
Energy: 0.42371674428073425
Energy: 0.6704281552622325
Energy: 0.42371674428504935
Energy: 0.8358764481293947
Energy: 0.3830773840509611
Energy: 0.5719642518396004
Energy: 0.3830773840509611
Energy: 0.8363702359395279
Energy: 0.38395892749266447
Energy: 0.6684678575225874
Energy: 0.3839589274938974
Energy: 0.8394810191117532
Energy: 0.384179706850589
Energy: 0.48408208703348293
Energy: 0.384179706850589
Energy: 0.7567291676962111
Energy: 0.3832141602380985
Energy: 0.47724613286644674
Energy: 0.38321416023994775
Energy: 0.8390469266657938
Energy: 0.3837067119419591
Energy: 0.4877712617889569
Energy: 0.3837067119425755
Energy: 0.8370691076262626
Energy: 0.3855736168517693
Energy: 0.3842211499431176
Energy: 0.38557361684992
Energy: 0.9172473878703832
Energy: 0.38348300017749776
Energy: 0.382927149932043
Energy: 0.38348300017749776
Energy: 0.923387431876459
Energy: 0.385637748265461
Energy: 0.38510925710916943
Energy: 0.3856377482636117

minimum gb energy = 0.38243915877318396 eV
minimum distance =  2.58949200789796 Angstroms
sigma value = 15


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

Energy: 0.8990308151599259
Energy: 0.3596054031959749
Energy: 0.531123860401816
Energy: 0.3596054032032858
Energy: 0.8171219890756027
Energy: 0.35487176981502916
Energy: 0.43495913914369777
Energy: 0.3548717698134626
Energy: 0.9604672018040881
Energy: 0.3543710477263036
Energy: 0.4386782342111288
Energy: 0.35437104772682587
Energy: 0.8246534635033725
Energy: 0.3571165452584522
Energy: 0.6051778783984061
Energy: 0.3571165452631521
Energy: 0.8218400075059532
Energy: 0.3528256458884969
Energy: 0.5958898742157441
Energy: 0.35282564589110793
Energy: 0.81886026779779
Energy: 0.3533367883120182
Energy: 0.5975104809380825
Energy: 0.3533367883203736
Energy: 0.6748097176636645
Energy: 0.3590874603667948
Energy: 0.7475797100602097
Energy: 0.35908746036940586
Energy: 0.750240466423255
Energy: 0.38672912415292265
Energy: 0.5949642334867382
Energy: 0.38672912411380445
Energy: 0.6732398384617982
Energy: 0.3833910769659051
Energy: 0.7453244214697334
Energy: 0.38339107696224967
Energy: 0.6722818976621885
Energy: 0.38380694456745035
Energy: 0.8232821758799571
Energy: 0.38380694451841013
Energy: 0.6048203742511196
Energy: 0.3560902541363688
Energy: 0.7525226310174855
Energy: 0.3560902541389798
Energy: 0.5134592413284476
Energy: 0.3529234567929724
Energy: 0.8878573512832484
Energy: 0.3529234567924502
Energy: 0.5960352572610611
Energy: 0.35361151004356256
Energy: 0.8891509930096849
Energy: 0.35361151004356256
Energy: 0.4440234746673732
Energy: 0.35685637508038104
Energy: 0.7501562034278065
Energy: 0.35685637507933665
Energy: 0.4320507418154367
Energy: 0.35314732188297315
Energy: 0.9590466433283352
Energy: 0.353147321885062
Energy: 0.4404149729440728
Energy: 0.3563374934823488
Energy: 0.8900460875681044
Energy: 0.35633749347764887
Energy: 0.35940832983658516
Energy: 0.35565062742759773
Energy: 0.8933664595863317
Energy: 0.3556506274265533
Energy: 0.3540764351550243
Energy: 0.3536240001781396
Energy: 0.9580313803192446
Energy: 0.35362400017866186
Energy: 0.35771165967065044
Energy: 0.3561814050175997
Energy: 0.8212711190604012
Energy: 0.3561814050202108
Energy: 0.4441381055164958
Energy: 0.3571468499996526
Energy: 0.9628151796804191
Energy: 0.3571468499996526
Energy: 0.4324283740881157
Energy: 0.3530876526704432
Energy: 0.8882234992040051
Energy: 0.35308765266783215
Energy: 0.44479704422205296
Energy: 0.3563405426981662
Energy: 0.8230009703106131
Energy: 0.35634054269921067
Energy: 0.5989294449308932
Energy: 0.35391919194051724
Energy: 0.8172765896392751
Energy: 0.353919191939995
Energy: 0.5961067006914006
Energy: 0.35303809918248735
Energy: 0.8888335360845884
Energy: 0.3530380991798763
Energy: 0.6035011670242763
Energy: 0.35570865162543935
Energy: 0.6778873441819961
Energy: 0.3557086516223061
Energy: 0.7462881602206226
Energy: 0.38488163012615356
Energy: 0.8248625463552972
Energy: 0.3848816301256313
Energy: 0.5950981604666766
Energy: 0.3836495593506367
Energy: 0.7462597015576884
Energy: 0.38364955934750344
Energy: 0.7496804467029652
Energy: 0.38672812575050564
Energy: 0.6781685959836922
Energy: 0.3867281257567721
Energy: 0.7470729457266447
Energy: 0.35843273084918825
Energy: 0.7458527928425503
Energy: 0.3584327308528438
Energy: 0.7463751381674576
Energy: 0.3538283920680648
Energy: 0.5979724943491658
Energy: 0.35382839207119804
Energy: 0.8205375862832561
Energy: 0.3532522874518775
Energy: 0.5135347743565506
Energy: 0.3532522874476999
Energy: 0.749192126299473
Energy: 0.3562490617101901
Energy: 0.6044440105756529
Energy: 0.35624906171071236
Energy: 0.8894800999291758
Energy: 0.3544046940323126
Energy: 0.4373308748425255
Energy: 0.35440469403022373
Energy: 0.8873577723417932
Energy: 0.3543093898475674
Energy: 0.4358202331630213
Energy: 0.35430938984808963
Energy: 0.8966700688321154
Energy: 0.35577869872714063
Energy: 0.35660655226679705
Energy: 0.35577869873184054
Energy: 0.8875600987300498
Energy: 0.35617145504008174
Energy: 0.35771317351407467
Energy: 0.3561714550379929
Energy: 0.9586347460709064
Energy: 0.35632694344298416
Energy: 0.35504450223305256
Energy: 0.35632694344037313

minimum gb energy = 0.3528256458884969 eV
minimum distance =  2.58842423928552 Angstroms
sigma value = 85


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

Energy: 1.011092888216272
Energy: 0.3143261563962216
Energy: 0.31756506414633534
Energy: 0.3143261563975803
Energy: 0.8841620156864836
Energy: 0.3161601787263951
Energy: 0.3884911530135046
Energy: 0.31616017872820684
Energy: 0.8856691870599439
Energy: 0.3157242637477275
Energy: 0.38835537266770626
Energy: 0.31572426375087725
Energy: 0.7563406258684111
Energy: 0.3184318904809278
Energy: 0.5285257177003908
Energy: 0.3184318904759457
Energy: 0.8572978802658038
Energy: 0.3146538770987394
Energy: 0.5285990127975958
Energy: 0.31465387709556897
Energy: 0.7590126069040031
Energy: 0.3152888459402338
Energy: 0.5317037526587409
Energy: 0.315288845939328
Energy: 0.7620378933798657
Energy: 0.31586596323068455
Energy: 0.6674408873877161
Energy: 0.315865963156448
Energy: 0.7961393978646176
Energy: 0.3148944649756567
Energy: 0.5639317620802302
Energy: 0.31489446498924406
Energy: 0.7615860595818682
Energy: 0.31506252272366264
Energy: 0.6644333618839655
Energy: 0.31506252269514967
Energy: 0.7612187802445096
Energy: 0.3720621836228854
Energy: 0.7910957299527184
Energy: 0.37206218361926213
Energy: 0.6692897130073203
Energy: 0.31453017645441395
Energy: 0.6940011671328863
Energy: 0.31453017643131537
Energy: 0.6331506967559323
Energy: 0.31448048475358786
Energy: 0.7913627523752501
Energy: 0.31448048474226503
Energy: 0.6643691564245089
Energy: 0.3148807387769819
Energy: 0.8226554684677028
Energy: 0.3148807387769819
Energy: 0.5275966547342694
Energy: 0.31501091684985477
Energy: 0.6976728498879167
Energy: 0.31501091684759014
Energy: 0.4914974931944713
Energy: 0.3141650240052377
Energy: 0.9148594569204205
Energy: 0.31416502400614355
Energy: 0.528728218946811
Energy: 0.31456621360996756
Energy: 0.8237615022380924
Energy: 0.31456621361313797
Energy: 0.389507263813912
Energy: 0.3141257068942703
Energy: 0.8211878820549909
Energy: 0.3141257069051402
Energy: 0.3884281488142302
Energy: 0.3146366198100704
Energy: 0.8553712637823184
Energy: 0.3146366198069
Energy: 0.3856115295105197
Energy: 0.3151181326933723
Energy: 0.9446984433518419
Energy: 0.315118132694731
Energy: 0.3482441189306545
Energy: 0.31461956756722315
Energy: 0.944633038816993
Energy: 0.31461956756586434
Energy: 0.34826997213869937
Energy: 0.3127681275115073
Energy: 0.8543478999046858
Energy: 0.3127681275142247
Energy: 0.34992248618509
Energy: 0.31583462858300493
Energy: 0.8521254307601863
Energy: 0.315834628582552
Energy: 0.4179214905914344
Energy: 0.3158360661528397
Energy: 0.9742408320287583
Energy: 0.3158360661523868
Energy: 0.42008085636806214
Energy: 0.3138628449922208
Energy: 0.9753713937676433
Energy: 0.31386284499584405
Energy: 0.4200113340735892
Energy: 0.31420644076925713
Energy: 0.7565146995632795
Energy: 0.3142064407674455
Energy: 0.5283261941296648
Energy: 0.3129850773740658
Energy: 0.8584620050684119
Energy: 0.3129850773772362
Energy: 0.5303270794371822
Energy: 0.31380453905303324
Energy: 0.8845171482155731
Energy: 0.3138045390534862
Energy: 0.5997915151144075
Energy: 0.3149160939693894
Energy: 0.7574265932862844
Energy: 0.3149160939309124
Energy: 0.6652526972156135
Energy: 0.31388961911463736
Energy: 0.8528411751106169
Energy: 0.3138896191404533
Energy: 0.6639227866250289
Energy: 0.31392931169793026
Energy: 0.7593018306112123
Energy: 0.3139293117020065
Energy: 0.7932539950213895
Energy: 0.37244162033754213
Energy: 0.630448320438639
Energy: 0.3724416203370892
Energy: 0.6986782780280288
Energy: 0.3717613504720829
Energy: 0.7664126771763801
Energy: 0.37176135047434744
Energy: 0.7928465974104478
Energy: 0.4156917848134094
Energy: 0.6302132685978558
Energy: 0.4156917848079745
Energy: 0.8584103959455928
Energy: 0.3147672999339235
Energy: 0.6309898818481495
Energy: 0.3147672999597189
Energy: 0.6924341691956211
Energy: 0.3157899789152642
Energy: 0.5280069248012076
Energy: 0.31578997892885163
Energy: 0.9169355931390327
Energy: 0.31466413285627587
Energy: 0.5286473831514727
Energy: 0.3146641328612579
Energy: 0.9466923996625448
Energy: 0.31522381019386997
Energy: 0.530583599266975
Energy: 0.31522381019251117
Energy: 0.8210219877186128
Energy: 0.31856116192067596
Energy: 0.38525155401431727
Energy: 0.3185611619170527
Energy: 0.8568140878254366
Energy: 0.31472023277235606
Energy: 0.38547686659267527
Energy: 0.31472023277145017
Energy: 0.94868986841398
Energy: 0.3165698665028146
Energy: 0.391605049286015
Energy: 0.3165698665050792
Energy: 0.8198712292780782
Energy: 0.3170234232288025
Energy: 0.31579917357989334
Energy: 0.3170234232346903
Energy: 0.8570994024664386
Energy: 0.31488426270236886
Energy: 0.3150732260949611
Energy: 0.3148842627005572
Energy: 0.888557242808093
Energy: 0.316022144356471
Energy: 0.31853421633096196
Energy: 0.316022144356471

minimum gb energy = 0.3127681275115073 eV
minimum distance =  2.58551439578933 Angstroms
sigma value = 113


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

Energy: 0.013464012941538164
Energy: 0.013941284687374258
Energy: 0.7339846551640887
Energy: 0.013941284688399443
Energy: 0.013978884368480153
Energy: 0.0716875023612125
Energy: 0.5435051335733259
Energy: 0.0716875023618895
Energy: 0.013981124558582893
Energy: 0.07084032793924036
Energy: 0.5427059237912832
Energy: 0.07084032793856336
Energy: 0.014786241106325773
Energy: 0.07424507719956316
Energy: 0.5453500965473531
Energy: 0.07424507719956316
Energy: 0.5442934672459444
Energy: 0.07280535719329013
Energy: 0.5451346420622796
Energy: 0.07280535719329013
Energy: 0.013936003622601587
Energy: 0.07063087436650785
Energy: 0.5427871048330842
Energy: 0.07063087436753304

minimum gb energy = 0.013464012941538164 eV
minimum distance =  2.85002463224118 Angstroms
sigma value = 1