Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614960163831712
cohesive_energy=3.540273359443754
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4503143217463098e-19, 2.16689583218598e-19, 2.71519271987346e-19, 3.1480047157822197e-19, 3.5145987514077595e-19, 3.8389113456620394e-19, 4.1236982423555394e-19, 4.36995279100134e-19, 4.58172849848346e-19, 4.76381587293756e-19, 4.920412617144719e-19, 5.05497943263438e-19, 5.1704002373477395e-19, 5.26912636153482e-19, 5.35336880895054e-19, 5.42503416978936e-19, 5.485740642451619e-19, 5.536769968244519e-19, 5.579019366083099e-19, 5.61301755425658e-19, 5.639036902792739e-19, 5.65733375995302e-19, 5.66814845223252e-19, 5.671689262593659e-19, 5.667908125737419e-19, 5.65577964861804e-19, 5.63434252525512e-19, 5.60266749320094e-19, 5.557069546197299e-19, 5.4941040044811e-19, 5.410550493017999e-19, 5.30285217968052e-19, 5.16698760111732e-19, 4.998310445089799e-19, 4.7913893328087e-19, 4.53949512241122e-19, 4.23389595124206e-19, 3.8624953857145196e-19, 3.40835841880722e-19, 2.84831757639252e-19, 2.15207569832148e-19, 1.2810571777772818e-19, 1.84601189592846e-20, -1.210229755318044e-19, -3.02069576044458e-19, -5.43416657660316e-19, -8.71540830126882e-19, -1.3221818476187938e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013653608043389743
Energy: 0.31673282456600427
Energy: 0.014140764061428328
Energy: 0.013928535050791271
Energy: 0.31644327312300746
Energy: 0.014058577282981113
Energy: 0.3167328245718236
Energy: 0.09666965665688497
Energy: 0.09641093547122136
Energy: 0.09653511552004347
Energy: 0.09666965785503409
Energy: 0.09696256790918825
Energy: 0.014140764061707098
Energy: 0.09641093547122136
Energy: 0.0967821865971755
Energy: 0.014171826543676809
Energy: 0.09659063909722104
Energy: 0.09702267525585873
Energy: 0.013928535051383657
Energy: 0.09653511552067068
Energy: 0.014171826543990424
Energy: 0.013988177296217699
Energy: 0.09654004226815048
Energy: 0.014098705652184532
Energy: 0.3164432731227287
Energy: 0.09666965785472048
Energy: 0.09659063909753468
Energy: 0.09654004227184416
Energy: 0.09661670130339395
Energy: 0.09674278426894
Energy: 0.014058577284200728
Energy: 0.09696256790734141
Energy: 0.09702267525585873
Energy: 0.014098705651870916
Energy: 0.09674278426862637
Energy: 0.01411579631968584

minimum gb energy = 0.013653608043389743 eV
minimum distance =  2.55260921985202 Angstroms
sigma value = 1


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

Energy: 1.057239214254921
Energy: 0.6170388847614565
Energy: 0.6285266921582819
Energy: 0.6191402309256955
Energy: 0.616128790458253
Energy: 0.6266713118670916
Energy: 0.9260594140291512
Energy: 0.5919492567655675
Energy: 0.592136807482004
Energy: 0.6140204397443646
Energy: 0.5920153601785328
Energy: 0.6031030971161118
Energy: 0.9404676448431301
Energy: 0.6057807212919051
Energy: 0.6060769773462866
Energy: 0.6066790770227871
Energy: 0.5978369381957468
Energy: 0.6086568573100408
Energy: 0.9991561979622807
Energy: 0.606334704423069
Energy: 0.6061481203694172
Energy: 0.5964717899633765
Energy: 0.6071343628743011
Energy: 0.596075442727073
Energy: 0.9261627759375396
Energy: 0.6011246725347695
Energy: 0.6030213467611297
Energy: 0.617596847917891
Energy: 0.5901765011386183
Energy: 0.6033770956965104
Energy: 0.9191013292177782
Energy: 0.6115386030457105
Energy: 0.6073452061723799
Energy: 0.6064779173679179
Energy: 0.6002859983561075
Energy: 0.6065722805550339
Energy: 0.921683179506201
Energy: 0.600122662124593
Energy: 0.601477483981265
Energy: 0.606181294086133
Energy: 0.599563941543294
Energy: 0.6064759340955136
Energy: 0.883738416903137
Energy: 0.6042319638124395
Energy: 0.6043166023651797
Energy: 0.5922384233698973
Energy: 0.6035189048954384
Energy: 0.5990559977310587
Energy: 0.7742785440450395
Energy: 0.6070812321057013
Energy: 0.605694587990561
Energy: 0.6011234536096858
Energy: 0.6069104393182032
Energy: 0.6059849636478793
Energy: 0.7723446084708971
Energy: 0.6142330769407024
Energy: 0.6100650801214049
Energy: 0.5949760928124092
Energy: 0.6164284259786342
Energy: 0.6031980691085176
Energy: 0.7664495530480389
Energy: 0.5880810350967582
Energy: 0.5873701864886287
Energy: 0.6266104522671684
Energy: 0.5885075627121713
Energy: 0.592210304361135
Energy: 0.6874890218847511
Energy: 0.6093809643939659
Energy: 0.6102496891852158
Energy: 0.5980464493945927
Energy: 0.6043177158482457
Energy: 0.5919466744113201
Energy: 0.6871554092862082
Energy: 0.6161461628624042
Energy: 0.6148602099044652
Energy: 0.5940744361754751
Energy: 0.6055505133404988
Energy: 0.5923348922312431
Energy: 0.7486670465668366
Energy: 0.586301199055961
Energy: 0.5872566275203479
Energy: 0.6153889741761541
Energy: 0.5878187286345748
Energy: 0.5879546125235848
Energy: 0.7157721013404202
Energy: 0.6137522576304477
Energy: 0.6030462785320778
Energy: 0.592553005386904
Energy: 0.6169432871352046
Energy: 0.5923391596582253
Energy: 0.7166895497464496
Energy: 0.601880807795298
Energy: 0.6011611348134208
Energy: 0.6156009629188149
Energy: 0.6021516066781273
Energy: 0.6167371211929605
Energy: 0.8497768255491944
Energy: 0.6053249212398715
Energy: 0.6066640250962224
Energy: 0.5976535704437378
Energy: 0.6070018664135666
Energy: 0.6058427359981602
Energy: 0.8490904306865739
Energy: 0.6010883765945628
Energy: 0.5995340412457743
Energy: 0.599626889442782
Energy: 0.601326090923884
Energy: 0.6162623154275325
Energy: 0.849961571478563
Energy: 0.6102114887329128
Energy: 0.6081651015333922
Energy: 0.600616833331509
Energy: 0.5991107687853681
Energy: 0.6162019280886584
Energy: 0.893015000037945
Energy: 0.6002859288959821
Energy: 0.6157724862297888
Energy: 0.6017036993961402
Energy: 0.598975513208556
Energy: 0.607972255880895
Energy: 0.9526233001280082
Energy: 0.5975141815874823
Energy: 0.5889410664454364
Energy: 0.6025916969091865
Energy: 0.5973523865796097
Energy: 0.5898512121328922
Energy: 0.9666226582212328
Energy: 0.6060777846055387
Energy: 0.6166002978088664
Energy: 0.6017825711132351
Energy: 0.6068809827869005
Energy: 0.6012818453545655
Energy: 0.9553422769328453
Energy: 0.5919033097190805
Energy: 0.592032284601393
Energy: 0.6224357765614135
Energy: 0.5951445664224814
Energy: 0.6027809318115442

minimum gb energy = 0.586301199055961 eV
minimum distance =  2.40894793376023 Angstroms
sigma value = 33


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

Energy: 1.2272840258178401
Energy: 0.6398560010906974
Energy: 0.6397393908392075
Energy: 0.6345500466340709
Energy: 0.6583341525062008
Energy: 0.7062793203929417
Energy: 0.9201780956925442
Energy: 0.6241450517323711
Energy: 0.5947718279009145
Energy: 0.6078924884421067
Energy: 0.6245738260874579
Energy: 0.5952143150186939
Energy: 0.904067964314832
Energy: 0.6109101403159005
Energy: 0.611916832964321
Energy: 0.641961440957463
Energy: 0.611715070430273
Energy: 0.6069158404865763
Energy: 0.9527089586003425
Energy: 0.6638295066613232
Energy: 0.645709984807583
Energy: 0.6375649109347239
Energy: 0.6404093796290924
Energy: 0.6488799018528996
Energy: 0.9172089083004636
Energy: 0.6047291889144207
Energy: 0.606548888015867
Energy: 0.6015735924780211
Energy: 0.5948780643594989
Energy: 0.61103401873055
Energy: 0.9656645348276621
Energy: 0.625111795492511
Energy: 0.6586004510015184
Energy: 0.6141809992507689
Energy: 0.692603509321054
Energy: 0.6236346756963075
Energy: 0.9646719469504104
Energy: 0.6969191774066014
Energy: 0.6971628348138572
Energy: 0.6142926564817262
Energy: 0.6976651590220265
Energy: 0.689014505637838
Energy: 0.915637525419504
Energy: 0.635348606054055
Energy: 0.6360202231155007
Energy: 0.6275959207193068
Energy: 0.6305048196050317
Energy: 0.6179173057709958
Energy: 0.8206512493277633
Energy: 0.635026197135807
Energy: 0.6823385322613077
Energy: 0.6863284723294334
Energy: 0.6308432845816411
Energy: 0.7129412658621416
Energy: 0.8257107055627014
Energy: 0.6717050381802395
Energy: 0.6759783677363561
Energy: 0.6665070766799162
Energy: 0.6698440538349496
Energy: 0.6613951577073702
Energy: 0.8262623785816271
Energy: 0.6354667047076051
Energy: 0.6272210337980466
Energy: 0.6582723293058987
Energy: 0.6135993810796259
Energy: 0.6263356864662264
Energy: 0.7562667030762287
Energy: 0.6023620747481364
Energy: 0.6774188225156621
Energy: 0.6993667955296762
Energy: 0.5977105730088942
Energy: 0.6595418049603402
Energy: 0.7592772362906292
Energy: 0.6789105425273366
Energy: 0.7007318135262844
Energy: 0.7148024471477593
Energy: 0.6608765222748201
Energy: 0.6675044082965442
Energy: 0.7625793352158587
Energy: 0.6230004290219668
Energy: 0.6490726532522876
Energy: 0.7451688267968521
Energy: 0.6232390717817211
Energy: 0.6198199696609626
Energy: 0.8065799794764401
Energy: 0.6820007628449419
Energy: 0.6879791035193203
Energy: 0.6730013763237077
Energy: 0.6663428284751609
Energy: 0.6745928511383387
Energy: 0.8028811604139209
Energy: 0.6862552345460085
Energy: 0.685913745641391
Energy: 0.7051442198784188
Energy: 0.685441867003172
Energy: 0.7179684738248857
Energy: 0.914570543163186
Energy: 0.6877202157493293
Energy: 0.6791160807932631
Energy: 0.6977116408797727
Energy: 0.685295710554731
Energy: 0.7053649043920919
Energy: 0.8654910407522175
Energy: 0.6761211336788262
Energy: 0.6700455765237742
Energy: 0.6313533843664831
Energy: 0.6757131902187299
Energy: 0.6744466963394584
Energy: 0.8682400153131413
Energy: 0.6880810761629539
Energy: 0.683833931345669
Energy: 0.630520857924194
Energy: 0.6873731967084693
Energy: 0.7094638971361287
Energy: 0.9396672453295305
Energy: 0.6700634402850174
Energy: 0.6708238109802215
Energy: 0.6710008538783994
Energy: 0.6751916410499833
Energy: 0.6771962655359509
Energy: 1.0088862129207683
Energy: 0.711885331420842
Energy: 0.6341408328670837
Energy: 0.5784985541176269
Energy: 0.7147117780039839
Energy: 0.6344243488114427
Energy: 0.8291431428762713
Energy: 0.6977490545175885
Energy: 0.6895961941310609
Energy: 0.5970270884953032
Energy: 0.7014075340370233
Energy: 0.6837831402551295
Energy: 0.9343651052632828
Energy: 0.6859311549636444
Energy: 0.6689907315834496
Energy: 0.6847652925425464
Energy: 0.6857505420910129
Energy: 0.6689715316417956
Energy: 1.030085898084858
Energy: 0.7235149922496811
Energy: 0.7401526595703181
Energy: 0.6918284097451108
Energy: 0.7243927990374867
Energy: 0.697766359502062
Energy: 0.8926766294092736
Energy: 0.6758192487157176
Energy: 0.6748695813739696
Energy: 0.6650112643670092
Energy: 0.6739500779657737
Energy: 0.6748690060384722
Energy: 0.913927497145517
Energy: 0.7167503515299446
Energy: 0.7149522737861718
Energy: 0.6850776470194175
Energy: 0.7159030414731035
Energy: 0.6843604189249104
Energy: 0.964252901475566
Energy: 0.6970518856474914
Energy: 0.703338768894765
Energy: 0.6818301518925608
Energy: 0.697188466000387
Energy: 0.7045501329965704
Energy: 0.9144097347532747
Energy: 0.6299074772274612
Energy: 0.6756435199162901
Energy: 0.6705031541856513
Energy: 0.632827423046003
Energy: 0.6723961334904807
Energy: 0.8273110972567611
Energy: 0.6302525274040828
Energy: 0.6754219862494472
Energy: 0.6866813169687888
Energy: 0.6332788019119049
Energy: 0.7141115348666599
Energy: 0.8254431741214937
Energy: 0.6823223365894402
Energy: 0.6778262530248692
Energy: 0.6862576641846537
Energy: 0.6693395740959582
Energy: 0.6973984532370191
Energy: 0.8166997227262729
Energy: 0.6086688617281308
Energy: 0.6346235951429282
Energy: 0.720746665904449
Energy: 0.5807316911867271
Energy: 0.6341644069447077
Energy: 0.7592266831972179
Energy: 0.5793824742062033
Energy: 0.5786879213172625
Energy: 0.7027217520933614
Energy: 0.5798267059997327
Energy: 0.6991423939763289
Energy: 0.7548217386588573
Energy: 0.6787818635043751
Energy: 0.6600610248059291
Energy: 0.684901786474004
Energy: 0.6829167657952281
Energy: 0.6118399668447514
Energy: 0.7601810280948809
Energy: 0.6706878119129602
Energy: 0.6493548294285251
Energy: 0.7142168417284888
Energy: 0.6707226332532565
Energy: 0.6174795778180036
Energy: 0.8017928703953662
Energy: 0.6844906632182205
Energy: 0.6156136331226476
Energy: 0.604421360453023
Energy: 0.6639962819553203
Energy: 0.671565790568848
Energy: 0.7974334166313598
Energy: 0.6141529374852295
Energy: 0.6799375048808444
Energy: 0.6357968907339651
Energy: 0.6143807320888794
Energy: 0.644040482750993
Energy: 0.8043155218330602
Energy: 0.6126384671799905
Energy: 0.6457972604165084
Energy: 0.6139713149607375
Energy: 0.6172632191714631
Energy: 0.6366293611605557
Energy: 0.8691834274126935
Energy: 0.6108576948368483
Energy: 0.6349978943977778
Energy: 0.6305406535286348
Energy: 0.6074740473796927
Energy: 0.6387164597213716
Energy: 0.8643059651679968
Energy: 0.6126016134002659
Energy: 0.6132307588113877
Energy: 0.631419341663447
Energy: 0.6201893962493961
Energy: 0.6535219070448648
Energy: 0.9161893266003744
Energy: 0.6020423406887848
Energy: 0.6270991301590884
Energy: 0.6076623147569468
Energy: 0.6122865090663602
Energy: 0.6105472149741759
Energy: 1.0260909395957112
Energy: 0.6311761133027274
Energy: 0.6343513753840009
Energy: 0.5802872535873299
Energy: 0.6302312472370711
Energy: 0.6473868324096786

minimum gb energy = 0.5784985541176269 eV
minimum distance =  2.33306698022321 Angstroms
sigma value = 51


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

Energy: 1.0989029498115555
Energy: 0.6360717638296349
Energy: 0.6403642021179249
Energy: 0.6417773238025113
Energy: 0.6366034862866611
Energy: 0.6424387819900945
Energy: 0.827729280330026
Energy: 0.6368053117057784
Energy: 0.630035975946627
Energy: 0.6516357884776169
Energy: 0.6362908039969184
Energy: 0.6258499082071577
Energy: 0.9614244753666068
Energy: 0.6358982953064226
Energy: 0.6365415832186937
Energy: 0.6415520047436863
Energy: 0.6371621918780183
Energy: 0.6319557411162307
Energy: 0.9418635511230973
Energy: 0.6363669065265334
Energy: 0.6380128760734672
Energy: 0.6431725760189112
Energy: 0.6330004486047712
Energy: 0.6226481466627742
Energy: 0.8269867269144411
Energy: 0.6516788625662124
Energy: 0.6598248542020082
Energy: 0.653732902021835
Energy: 0.6508649764882282
Energy: 0.6596177678298836
Energy: 0.8260347194332891
Energy: 0.6527994216441454
Energy: 0.6574906385673763
Energy: 0.6499418299255163
Energy: 0.6503579407403576
Energy: 0.657309671591046
Energy: 0.8275188291345599
Energy: 0.6502446154973833
Energy: 0.659175300176661
Energy: 0.6506121188493085
Energy: 0.6508771971983874
Energy: 0.6589564487189654
Energy: 0.8246583535777086
Energy: 0.6225701905129085
Energy: 0.6291789802347308
Energy: 0.6441556110149291
Energy: 0.6227023039559539
Energy: 0.6293709237284133
Energy: 0.7023101782714763
Energy: 0.6226975202011503
Energy: 0.6295272194533392
Energy: 0.6371384392686422
Energy: 0.6229824698046069
Energy: 0.6312567039460403
Energy: 0.703043559109056
Energy: 0.6587419986415286
Energy: 0.6271160836886989
Energy: 0.6362803899209934
Energy: 0.625240895573042
Energy: 0.6305091435914755
Energy: 0.7008966893672427
Energy: 0.6306460611371443
Energy: 0.6267275116799281
Energy: 0.6348864241850911
Energy: 0.6257293655149386
Energy: 0.6250667487267979
Energy: 0.7337854058233789
Energy: 0.6247756537397905
Energy: 0.6409941346902839
Energy: 0.631089466498524
Energy: 0.6303941961829977
Energy: 0.6241299187194652
Energy: 0.7320089152832839
Energy: 0.6428097477697392
Energy: 0.64645649403145
Energy: 0.6529064024840201
Energy: 0.6434468042930142
Energy: 0.632109057904731
Energy: 0.7338243384379378
Energy: 0.6276404891496685
Energy: 0.628417628787701
Energy: 0.6312522284515399
Energy: 0.6266797784504692
Energy: 0.6282573975172601
Energy: 0.8814167677664619
Energy: 0.6283323450412194
Energy: 0.6411291937665599
Energy: 0.6191395671210469
Energy: 0.6259034007373033
Energy: 0.6407050363613039
Energy: 0.879586424952363
Energy: 0.6328810627206786
Energy: 0.6463867640886033
Energy: 0.6519777805226109
Energy: 0.6310979045268921
Energy: 0.6195130363132691
Energy: 0.8903392801865747
Energy: 0.6347657382002673
Energy: 0.6484608732299459
Energy: 0.6511804594802382
Energy: 0.6319263253469715
Energy: 0.641459394123286
Energy: 1.0030269061084076
Energy: 0.6241707072412116
Energy: 0.6246866816919073
Energy: 0.6212148753037589
Energy: 0.6239512373566535
Energy: 0.6245478391551573

minimum gb energy = 0.6191395671210469 eV
minimum distance =  2.3924886667943 Angstroms
sigma value = 19


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

Energy: 0.9160897852238592
Energy: 0.5746947258930276
Energy: 0.5922375693986133
Energy: 0.6473987790387261
Energy: 0.5766490770588938
Energy: 0.5940563116594596
Energy: 0.7778186460574567
Energy: 0.574822649574257
Energy: 0.5747618454803504
Energy: 0.6000621913472497
Energy: 0.5738847373489736
Energy: 0.5745214049886894
Energy: 0.9572051354060205
Energy: 0.5736625472327904
Energy: 0.5740580242031833
Energy: 0.610576100434623
Energy: 0.5736030867589038
Energy: 0.5744529072239388
Energy: 0.7701106898634849
Energy: 0.5739160145012836
Energy: 0.5744159893370462
Energy: 0.5903378141043776
Energy: 0.5743509857209605
Energy: 0.5749889191167558
Energy: 0.7781994363187837
Energy: 0.5743578321873816
Energy: 0.5980863944016487
Energy: 0.598117938139423
Energy: 0.5744119343987534
Energy: 0.5982922126964273
Energy: 0.7752628944918278
Energy: 0.5503046715368535
Energy: 0.5956933437777827
Energy: 0.5993879149174205
Energy: 0.5500960825118583
Energy: 0.5954034733183134
Energy: 0.7768610375069678
Energy: 0.599505386670553
Energy: 0.5962048464011481
Energy: 0.6005740092522558
Energy: 0.5598579595713097
Energy: 0.5959135688059334
Energy: 0.734435765434105
Energy: 0.5509814315500623
Energy: 0.5505069059353452
Energy: 0.575117474689163
Energy: 0.5532208398777919
Energy: 0.5504903152732393
Energy: 0.6414336335343896
Energy: 0.5508140869313886
Energy: 0.5506806519484424
Energy: 0.5739187326155585
Energy: 0.5517243677493889
Energy: 0.5506547050099506
Energy: 0.6406452735975149
Energy: 0.574836265346311
Energy: 0.5744209312800028
Energy: 0.5738738632450074
Energy: 0.5991050242834686
Energy: 0.5742800576140527
Energy: 0.6386222668644329
Energy: 0.612254049435274
Energy: 0.6120864736444885
Energy: 0.5727979040764469
Energy: 0.6123490804922704
Energy: 0.5745346664710177
Energy: 0.7769586966156162
Energy: 0.5990895956426371
Energy: 0.5987803666694422
Energy: 0.5741837723165716
Energy: 0.5993087688364024
Energy: 0.5741592517338358
Energy: 0.6181996458615674
Energy: 0.5981392575548334
Energy: 0.5989936056877809
Energy: 0.5496813890055665
Energy: 0.5986543876334374
Energy: 0.5994346359848947
Energy: 0.777691437456771
Energy: 0.5996708504003976
Energy: 0.5991133226391379
Energy: 0.574418048792614
Energy: 0.6000472199234224
Energy: 0.5989172926475848
Energy: 0.9159494634315366
Energy: 0.5742969401833353
Energy: 0.5744134569972689
Energy: 0.5512048055690365
Energy: 0.5742986559498942
Energy: 0.5506131157949898
Energy: 0.9176150158305394
Energy: 0.5771637836550578
Energy: 0.5501935193319644
Energy: 0.552122173996875
Energy: 0.5747425724659342
Energy: 0.5503214524211566
Energy: 0.7781383067506822
Energy: 0.5742965394141343
Energy: 0.5747517393394792
Energy: 0.6007860820564807
Energy: 0.5737649797815604
Energy: 0.5744429940092607
Energy: 0.7706444475760079
Energy: 0.5738062957884756
Energy: 0.5745110298450588
Energy: 0.5896880364860706
Energy: 0.5737891847858955
Energy: 0.575258101074586
Energy: 0.7722592653916996
Energy: 0.5735236444652063
Energy: 0.5737981138476603
Energy: 0.5910564538776533
Energy: 0.5735150874544045
Energy: 0.5745450535921355
Energy: 0.777672460152476
Energy: 0.5501020203239171
Energy: 0.5967775655890031
Energy: 0.5980961381726202
Energy: 0.5501506762900198
Energy: 0.5962921301797354
Energy: 0.7719170210488754
Energy: 0.5977259445099734
Energy: 0.5979684514720388
Energy: 0.6003506923559371
Energy: 0.5981446349647986
Energy: 0.5985120795705332
Energy: 0.7771986249707991
Energy: 0.5998375402005147
Energy: 0.5993760858783865
Energy: 0.5995153609075603
Energy: 0.5998241991748676
Energy: 0.5988248421275247
Energy: 0.7358441670951114
Energy: 0.6482013405009412
Energy: 0.6103401641490694
Energy: 0.6712520766515908
Energy: 0.6480116440135639
Energy: 0.6106228418168984
Energy: 0.6410096413020043
Energy: 0.5751577508905222
Energy: 0.5745534534900243
Energy: 0.5739948297349331
Energy: 0.5851166307380755
Energy: 0.5743988573448124
Energy: 0.6409331439413896
Energy: 0.6162380920572214
Energy: 0.5740087873709337
Energy: 0.5736787506197626
Energy: 0.6220662894948131
Energy: 0.5740485544212273
Energy: 0.736551085565336
Energy: 0.5906221470255127
Energy: 0.5906750994656077
Energy: 0.6726207708040244
Energy: 0.5904797066399329
Energy: 0.5741173921812183
Energy: 0.7773096105598801
Energy: 0.5991830999531024
Energy: 0.5986631624597327
Energy: 0.5994006704499528
Energy: 0.5981805126125969
Energy: 0.5982690630173451
Energy: 0.6190789537351308
Energy: 0.5982064794606515
Energy: 0.5961018423842154
Energy: 0.5500791470222555
Energy: 0.5989578354409001
Energy: 0.595344581954255
Energy: 0.7342047807142015
Energy: 0.5992739805067956
Energy: 0.5971696229766456
Energy: 0.559695725534133
Energy: 0.599672862671031
Energy: 0.5962975245269144
Energy: 0.9151879033369638
Energy: 0.5751815810714687
Energy: 0.5506453962140252
Energy: 0.5525990756642771
Energy: 0.5745496109244417
Energy: 0.5506454239341749

minimum gb energy = 0.5496813890055665 eV
minimum distance =  2.42306062324813 Angstroms
sigma value = 27


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

Energy: 0.7623218549532127
Energy: 1.1910913458773482
Energy: 0.6740140432538144
Energy: 0.5792748309877508
Energy: 1.1914694307691924
Energy: 0.6741291775501858
Energy: 0.7539009088497439
Energy: 0.6226723622152379
Energy: 0.5706500117029415
Energy: 0.5648968498870333
Energy: 0.6225089962999316
Energy: 0.559539906954671
Energy: 0.6867934743153091
Energy: 0.620580539114695
Energy: 0.5703908366361263
Energy: 0.5723867512626535
Energy: 0.6191548755171831
Energy: 0.5695194761876269
Energy: 0.7542620945128979
Energy: 0.5765148373803135
Energy: 0.5689170836701355
Energy: 0.606230754102241
Energy: 0.6047429168777486
Energy: 0.5545758685000195
Energy: 0.7559920567582813
Energy: 0.5382174029274691
Energy: 0.5653899611425647
Energy: 0.6051870650882368
Energy: 0.5255779681925897
Energy: 0.5695720848907284
Energy: 0.6420284740472703
Energy: 0.5224222502025979
Energy: 0.5240175698193471
Energy: 0.618766030278725
Energy: 0.5229892653979811
Energy: 0.5380678955497181
Energy: 0.6456758927532185
Energy: 0.5636780986260419
Energy: 0.569652922309796
Energy: 0.620958472933477
Energy: 0.5649947964730407
Energy: 0.5693277441130828
Energy: 0.6451502609886067
Energy: 0.5625437191493944
Energy: 0.5603929436244439
Energy: 0.6223205598981413
Energy: 0.5786259377091696
Energy: 0.5649547650829051
Energy: 0.6862894949191861
Energy: 0.562868027904523
Energy: 0.559866745332284
Energy: 0.6228455111896548
Energy: 0.5758962822265106
Energy: 0.5546839152242753
Energy: 0.5985520347023157
Energy: 0.570913312617508
Energy: 0.5824537905380794
Energy: 0.5793910323668241
Energy: 0.576591271274927
Energy: 0.5809994235197895
Energy: 0.6878916237609447
Energy: 0.574615498176634
Energy: 0.5758116420561632
Energy: 0.579921930179272
Energy: 0.5758748389517462
Energy: 0.5781017724285357
Energy: 0.6773262665130002
Energy: 0.568996434708186
Energy: 0.5690038963362223
Energy: 0.5654409679131013
Energy: 0.5704660216249997
Energy: 0.559541428316734

minimum gb energy = 0.5224222502025979 eV
minimum distance =  2.43625015934389 Angstroms
sigma value = 9


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

Energy: 1.3846436250239462
Energy: 0.5125460132596334
Energy: 0.5898729367553287
Energy: 0.5046374904206528
Energy: 0.5126978183450495
Energy: 0.49119841049302887
Energy: 0.5756431912174514
Energy: 0.5010595012721892
Energy: 0.5301168951919488
Energy: 0.501430819740796
Energy: 0.5306849799811131
Energy: 0.4994257842203838
Energy: 0.5765253782306671
Energy: 0.525703190676879
Energy: 0.5270242115853874
Energy: 0.5291150620306116
Energy: 0.5276168699025927
Energy: 0.501359961607548
Energy: 0.5776321442302169
Energy: 0.5135462853001643
Energy: 0.5133861268186053
Energy: 0.5346991549712093
Energy: 0.5284769830867714
Energy: 0.5006734539522758
Energy: 0.611665305647932
Energy: 0.5339055151354813
Energy: 0.5418125358519563
Energy: 0.5554434105982127
Energy: 0.5337714169500165
Energy: 0.517050325775038
Energy: 0.5704017887243269
Energy: 0.5538779743992762
Energy: 0.5122823644435247
Energy: 0.5804356071057624
Energy: 0.5526502292602173
Energy: 0.5042052334398427
Energy: 0.5714600987101714
Energy: 0.5013212864996837
Energy: 0.5013437353830663
Energy: 0.5677592556991222
Energy: 0.5015967229145157
Energy: 0.5575095354673579
Energy: 0.5720631341881462
Energy: 0.533238144701499
Energy: 0.5399668439387161
Energy: 0.5120487221723666
Energy: 0.5444824619919132
Energy: 0.5205094339872199
Energy: 0.5480449623371068
Energy: 0.5536511516245325
Energy: 0.5443134539663501
Energy: 0.5600520029056497
Energy: 0.5524220442459253
Energy: 0.5374098612094907
Energy: 0.5305995196367386
Energy: 0.5117727752297889
Energy: 0.5109526464293724
Energy: 0.5430441828997504
Energy: 0.5410549533086327
Energy: 0.49689911125376673
Energy: 0.5306674679722435
Energy: 0.5553965674404339
Energy: 0.548775183631629
Energy: 0.5370569091564807
Energy: 0.5536714792203367
Energy: 0.5325759397842466
Energy: 0.6180444637313738
Energy: 0.5627822023990553
Energy: 0.557253963270168
Energy: 0.5133810844002824
Energy: 0.5680738761808175
Energy: 0.5063071879090045
Energy: 0.7869819603801897
Energy: 0.5705646305248911
Energy: 0.5460115471007645
Energy: 0.5004814720192055
Energy: 0.5528396695565763
Energy: 0.5301721748329615
Energy: 0.6190994588187866
Energy: 0.5140466057156657
Energy: 0.5168789351721982
Energy: 0.5139896143624918
Energy: 0.5517120386236202
Energy: 0.5184827646768816
Energy: 0.5570024554861068
Energy: 0.5112123009681426
Energy: 0.5101167187824689
Energy: 0.5319457824007372
Energy: 0.5149562174797706
Energy: 0.5618853312010607
Energy: 0.5566288277018032
Energy: 0.5000869886877974
Energy: 0.5038499003787091
Energy: 0.5401438107613205
Energy: 0.5329801895994071
Energy: 0.5148858977045528
Energy: 0.5562005822570211
Energy: 0.498195511456847
Energy: 0.4922476240565514
Energy: 0.5305101897904032
Energy: 0.5114656449516629
Energy: 0.5036621561948849
Energy: 0.6019369318267068
Energy: 0.48707060466832514
Energy: 0.49947541658259725
Energy: 0.5361941359458979
Energy: 0.5077366937065101
Energy: 0.5055612685016609
Energy: 0.5772799934962932
Energy: 0.4975839563630942
Energy: 0.49953591959499805
Energy: 0.5104850445109466
Energy: 0.5083781671423596
Energy: 0.5016924777282082
Energy: 0.5747553751458817
Energy: 0.5095111036483236
Energy: 0.49967332207868376
Energy: 0.5093636236543864
Energy: 0.5091897637167636
Energy: 0.5009104334592098
Energy: 0.5766002728280495
Energy: 0.4987950608682571
Energy: 0.5027654694166623
Energy: 0.5198819703946165
Energy: 0.5107575250661552
Energy: 0.4999077546883646
Energy: 0.5937320005820212
Energy: 0.5112755253017641
Energy: 0.5081564225655228
Energy: 0.5006045725804744
Energy: 0.5169090946108171
Energy: 0.5160001753161223
Energy: 0.5909737063797941
Energy: 0.5179511947138284
Energy: 0.5112243158141367
Energy: 0.5320526995861435
Energy: 0.5305118151891413
Energy: 0.48157090046006334
Energy: 0.5764972412380135
Energy: 0.5264748214915436
Energy: 0.5139936027985503
Energy: 0.5271936675342273
Energy: 0.5397002804549036
Energy: 0.5169656036581075
Energy: 0.7997292213121383
Energy: 0.5312303915403621
Energy: 0.5596886722094514
Energy: 0.5469045320630183
Energy: 0.5445436400677083
Energy: 0.5602176297196805
Energy: 0.5760888413673547
Energy: 0.5009042279964494
Energy: 0.5176647164209334
Energy: 0.5271425635211036
Energy: 0.5138636975451911
Energy: 0.5168980082286171
Energy: 0.5489364907464668
Energy: 0.5123585493761966
Energy: 0.5252942414826549
Energy: 0.547380841900202
Energy: 0.513583443786264
Energy: 0.5092465363834258
Energy: 0.5711563990183036
Energy: 0.5011554036205697
Energy: 0.4942251638646297
Energy: 0.5685325125186299
Energy: 0.5144188015679387
Energy: 0.4937660968212445
Energy: 0.5710402270491859
Energy: 0.5215750418170515
Energy: 0.5475444814474327
Energy: 0.5682297914993548
Energy: 0.5527283773137038
Energy: 0.5485440225468883
Energy: 0.5481736592729155
Energy: 0.5338511213357653
Energy: 0.5289623282514768
Energy: 0.529639805871597
Energy: 0.5330188225200325
Energy: 0.5018348008026919
Energy: 0.5307833159762266
Energy: 0.5067883726725539
Energy: 0.534776165237024
Energy: 0.5702980166942218
Energy: 0.5392416777746244
Energy: 0.5432387053389239
Energy: 0.530478114025235
Energy: 0.5517214800444549
Energy: 0.5182372478046144
Energy: 0.5433099868426731
Energy: 0.5517930112622739
Energy: 0.5052871470174671
Energy: 0.5636634994642663
Energy: 0.5608646111005031
Energy: 0.556289428667455
Energy: 0.558314007863105
Energy: 0.5680514881029735
Energy: 0.5335839819594957
Energy: 0.5630246858110127
Energy: 0.551520044197659
Energy: 0.5323090907537577
Energy: 0.5299136092921589
Energy: 0.5682213727055644
Energy: 0.49203547431000694
Energy: 0.5614875267231877
Energy: 0.5164061252195565
Energy: 0.5018834434816933
Energy: 0.5561706239053804
Energy: 0.5549017314911344
Energy: 0.5164992265616413
Energy: 0.5641575860343793
Energy: 0.5093867751967228
Energy: 0.5008630979462773
Energy: 0.542078882500139
Energy: 0.512055013440035
Energy: 0.5002557420022379
Energy: 0.5559004694943216
Energy: 0.5306173970047096
Energy: 0.5027913382455129
Energy: 0.5409402314453563
Energy: 0.5442764311913292
Energy: 0.5184895963868577
Energy: 0.556471955098668
Energy: 0.5027369442592576
Energy: 0.5031554959146425
Energy: 0.530573965701976
Energy: 0.5006138622457817
Energy: 0.5279418208566898
Energy: 0.5424911097655704
Energy: 0.5054503439685365
Energy: 0.5388998835199396
Energy: 0.5338034993334533
Energy: 0.49650960566105523
Energy: 0.5376110571164041
Energy: 0.5777356806670787
Energy: 0.5025246297708817
Energy: 0.5032523640375223
Energy: 0.5298030388976044
Energy: 0.5020742686350489
Energy: 0.5052835794197827
Energy: 0.5724890469297726
Energy: 0.5024901097990163
Energy: 0.5034967660797454
Energy: 0.5090967461454516
Energy: 0.5003405060566913
Energy: 0.5012893572272858
Energy: 0.5772728098018848
Energy: 0.5102333607458758
Energy: 0.5145399320425234
Energy: 0.49913228455159936
Energy: 0.5097985094434049
Energy: 0.49844868809920717
Energy: 0.5911710939272524
Energy: 0.5002656406843182
Energy: 0.5060539701707268
Energy: 0.5325684523784715
Energy: 0.5102802016378593
Energy: 0.4811838900288941

minimum gb energy = 0.4811838900288941 eV
minimum distance =  2.39257771777253 Angstroms
sigma value = 57


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

Energy: 0.7484893697133321
Energy: 0.32551799428869743
Energy: 0.45221297625851664
Energy: 0.454944184299488
Energy: 0.31148332364820003
Energy: 0.4690734458223357
Energy: 0.30088610018178785
Energy: 0.5146082658631006
Energy: 0.4963587815102335
Energy: 0.5037097981327032
Energy: 0.4959094371745164
Energy: 0.5153623381308234
Energy: 0.6101099140845916
Energy: 0.5026249550329358
Energy: 0.49641600123637225
Energy: 0.5020491584817063
Energy: 0.5193457403586801
Energy: 0.4964798564634785
Energy: 0.2996663638900781
Energy: 0.4960909507948137
Energy: 0.4963165179337663
Energy: 0.26073892181763525
Energy: 0.2597557234746563
Energy: 0.49605596597646456
Energy: 0.30056726302869247
Energy: 0.4657139006109197
Energy: 0.46356626603472645
Energy: 0.2595431079094821
Energy: 0.4740800642529355
Energy: 0.25262180100824955
Energy: 0.3226660247627197
Energy: 0.48066963293826687
Energy: 0.4634053089226401
Energy: 0.28779979626231134
Energy: 0.48213528542782286
Energy: 0.4435043644768358
Energy: 0.7080604679090517
Energy: 0.25150432707675413
Energy: 0.25213601984647166
Energy: 0.2831624000945439
Energy: 0.2526869042758989
Energy: 0.2523602615602108
Energy: 0.33264447526691154
Energy: 0.2527800537063356
Energy: 0.24981408595894955
Energy: 0.25868688929715017
Energy: 0.26000855496341224
Energy: 0.2531541204247227
Energy: 0.2499315596020778
Energy: 0.267477666046627
Energy: 0.2514095469325551
Energy: 0.2510589209606579
Energy: 0.2516627975655388
Energy: 0.2522849016850431
Energy: 0.24963069436450527
Energy: 0.26720982804419197
Energy: 0.25351191972266773
Energy: 0.2500894408491491
Energy: 0.279214221542027
Energy: 0.2546567877904434
Energy: 0.24971852731854305
Energy: 0.2550951233795906
Energy: 0.2519582824328944
Energy: 0.2503076278059757
Energy: 0.25174562236839965
Energy: 0.25230219800238657
Energy: 0.2503972153742164
Energy: 0.2615583330280831
Energy: 0.2507730638485459
Energy: 0.2528700725124596
Energy: 0.25286583574143684
Energy: 0.2663814464282315
Energy: 0.6331511481526212
Energy: 0.2652365214367351
Energy: 0.2660880345626715
Energy: 0.2544175270083021
Energy: 0.2579434063452782
Energy: 0.26562095943719605
Energy: 0.3304531950323922
Energy: 0.25936670495851666
Energy: 0.254284203868188
Energy: 0.29058742317684955
Energy: 0.2599776025700529
Energy: 0.2660846048592784
Energy: 0.3277985300438999
Energy: 0.47953660710648277
Energy: 0.48214048179377045
Energy: 0.2940346984264982
Energy: 0.48205803974910516
Energy: 0.46554119196193905
Energy: 0.299342261724328
Energy: 0.28397592601446037
Energy: 0.2524495145005812
Energy: 0.2516660532123862
Energy: 0.4464946362874608
Energy: 0.26623408618487304
Energy: 0.5961497422417844
Energy: 0.518871535947133
Energy: 0.5141852143245184
Energy: 0.5171970601749106
Energy: 0.49377771460008346
Energy: 0.5142586110280243
Energy: 0.29974623634117886
Energy: 0.5011376927505763
Energy: 0.5001349356954045
Energy: 0.5085511622643221
Energy: 0.5113993444898909
Energy: 0.4995775441394548
Energy: 0.6399816754968352
Energy: 0.5135089002829595
Energy: 0.49508909732856765
Energy: 0.4751473331429755
Energy: 0.5135278947436152
Energy: 0.49574315422146026

minimum gb energy = 0.24963069436450527 eV
minimum distance =  2.38420087244971 Angstroms
sigma value = 11


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

Energy: 0.849524090311043
Energy: 0.4647960755585905
Energy: 0.48749322804141104
Energy: 0.4975249402627871
Energy: 0.47481959994100864
Energy: 0.4846618109952452
Energy: 0.4277892315515318
Energy: 0.43780632520865487
Energy: 0.430881057882582
Energy: 0.43185114449155887
Energy: 0.42669554488412126
Energy: 0.43264924938848265
Energy: 0.43041552303386305
Energy: 0.43340171171326486
Energy: 0.4350621709815139
Energy: 0.4279135847369245
Energy: 0.4331232520544031
Energy: 0.4326118205969823
Energy: 0.4299362216819727
Energy: 0.4382046411257042
Energy: 0.4397594658875965
Energy: 0.42754024763660214
Energy: 0.43118774153785694
Energy: 0.43405733843558497
Energy: 0.4277076780414291
Energy: 0.4846783317748208
Energy: 0.4619335376604607
Energy: 0.4383797461823836
Energy: 0.4685273226529614
Energy: 0.43818553719717207
Energy: 0.4664778601859974
Energy: 0.46568529980330686
Energy: 0.47211954684564544
Energy: 0.43592040844176155
Energy: 0.4391445021133193
Energy: 0.4650333510654274
Energy: 0.46733906708652007
Energy: 0.4292927106529388
Energy: 0.43247759831175503
Energy: 0.426100161127479
Energy: 0.4320823162734086
Energy: 0.4291625731615347
Energy: 0.4455924579868573
Energy: 0.514068000457119
Energy: 0.5144388666354589
Energy: 0.4406254743605723
Energy: 0.5146640701740125
Energy: 0.4332953835920567
Energy: 0.4675959938559579
Energy: 0.43411455232974294
Energy: 0.44256429298067784
Energy: 0.440885881598816
Energy: 0.426941481416189
Energy: 0.44285482006101845
Energy: 0.6204189251245865
Energy: 0.45616567173715084
Energy: 0.46624722717626294
Energy: 0.43049591523455694
Energy: 0.4625639122545848
Energy: 0.4663608961826212
Energy: 0.49404293713219394
Energy: 0.45363928199478776
Energy: 0.46098212575431197
Energy: 0.4640649528407034
Energy: 0.459782909160923
Energy: 0.48425876930397777
Energy: 0.557495684924208
Energy: 0.41934956012619395
Energy: 0.4397356425047984
Energy: 0.4826193856278821
Energy: 0.4160371105163844
Energy: 0.4388438332740067
Energy: 0.6180351375107489
Energy: 0.42117327736001825
Energy: 0.4425757845114748
Energy: 0.5238968844200524
Energy: 0.41744824920940715
Energy: 0.4419242130222849
Energy: 0.5318158029598522
Energy: 0.4855722246121865
Energy: 0.48321379729200775
Energy: 0.45004078706296025
Energy: 0.48523060885274116
Energy: 0.4843203194823629
Energy: 0.5350725144272039
Energy: 0.46549581292909675
Energy: 0.4696052629978014
Energy: 0.47012455240421824
Energy: 0.4662009507759786
Energy: 0.4600621119769357
Energy: 0.6649677357777063
Energy: 0.48941830158875016
Energy: 0.4864365079313201
Energy: 0.4545098572197663
Energy: 0.4679126913039043
Energy: 0.48445296671167154
Energy: 0.7257503964594499
Energy: 0.46481488648773484
Energy: 0.4253838334674673
Energy: 0.43694241423935054
Energy: 0.47103593019229434
Energy: 0.4251153557561609
Energy: 0.5027993383611307
Energy: 0.45501104977411044
Energy: 0.48778943936475877
Energy: 0.44354749142479416
Energy: 0.46011036847355996
Energy: 0.4883201118710209
Energy: 0.49873328691393687
Energy: 0.43067851278473973
Energy: 0.4665282317217329
Energy: 0.4343027284090551
Energy: 0.43458271623439265
Energy: 0.4669823804510403
Energy: 0.5888872582939223
Energy: 0.4438229805749608
Energy: 0.5242610421034228
Energy: 0.4441440211259246
Energy: 0.5525436396481691
Energy: 0.45368048872801797
Energy: 0.664375752611283
Energy: 0.4661946448389989
Energy: 0.46558304874565254
Energy: 0.4643373694876038
Energy: 0.48786415480723616
Energy: 0.4555475783171355
Energy: 0.42933891456325485
Energy: 0.4946981819642645
Energy: 0.49361536037113357
Energy: 0.4578140315715815
Energy: 0.4989609047127994
Energy: 0.48763306522743166
Energy: 0.42955908531960246
Energy: 0.4644338017924999
Energy: 0.4618074774799979
Energy: 0.4323861265959862
Energy: 0.46376540612829104
Energy: 0.45555968809301284
Energy: 0.5149361219707127
Energy: 0.430899058464225
Energy: 0.4326108891367576
Energy: 0.5152526987601359
Energy: 0.4292139538089799
Energy: 0.43260048431380443
Energy: 0.5151722177204835
Energy: 0.4280022199151983
Energy: 0.4427499261554974
Energy: 0.47011165592929544
Energy: 0.42689044413909877
Energy: 0.43781283818001754
Energy: 0.4926303550784647
Energy: 0.42863632698694965
Energy: 0.4382012861521579
Energy: 0.4636205299734107
Energy: 0.438854945444579
Energy: 0.46237479298736156

minimum gb energy = 0.4160371105163844 eV
minimum distance =  2.40551198767301 Angstroms
sigma value = 41


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

Energy: 0.7112869405540697
Energy: 0.5002402721188207
Energy: 0.4919455582208332
Energy: 0.4770371429434583
Energy: 0.5188072125761413
Energy: 0.4878118747355939
Energy: 0.4680645704163174
Energy: 0.4763117642533149
Energy: 0.46957696684726136
Energy: 0.46491894339259315
Energy: 0.47496866400370213
Energy: 0.46339793888853414
Energy: 0.47196952589339825
Energy: 0.4710661664897076
Energy: 0.46534899300181315
Energy: 0.4680937757109387
Energy: 0.4701561008316403
Energy: 0.4654308603260449
Energy: 0.4722117580276642
Energy: 0.47220057666939474
Energy: 0.4647979889374883
Energy: 0.4680827709376121
Energy: 0.46870044427156743
Energy: 0.4667292710712376
Energy: 0.4679793253269883
Energy: 0.47931856807826556
Energy: 0.4772764179947528
Energy: 0.4747176923168683
Energy: 0.47883207199378924
Energy: 0.4636453201152746
Energy: 0.5287583928870309
Energy: 0.4736467987277101
Energy: 0.6038559766985175
Energy: 0.4788816971839113
Energy: 0.46763268326051827
Energy: 0.6037987094344063
Energy: 0.5295166465153697
Energy: 0.46647423183346187
Energy: 0.4675269228609643
Energy: 0.46525040506331067
Energy: 0.47561115917194485
Energy: 0.47135353975218075
Energy: 0.4903262173386612
Energy: 0.6060721659078032
Energy: 0.6060782870751132
Energy: 0.4457540735534536
Energy: 0.6060957841950466
Energy: 0.4576462427359185
Energy: 0.5291304881573298
Energy: 0.4659690546643879
Energy: 0.46361662539590426
Energy: 0.47607520823661004
Energy: 0.46934743279960894
Energy: 0.46419805266281733
Energy: 0.5275595473483417
Energy: 0.4782570468887078
Energy: 0.47213194225648636
Energy: 0.4665878524150443
Energy: 0.604229670493723
Energy: 0.4708478151006178
Energy: 0.5274402362301637
Energy: 0.4758832089157298
Energy: 0.47710909623750175
Energy: 0.4660765608191717
Energy: 0.46693570844851834
Energy: 0.47769616314801533
Energy: 0.532883717406749
Energy: 0.4563167889094357
Energy: 0.45664397545910235
Energy: 0.47765298056502653
Energy: 0.4463104492469074
Energy: 0.4715208845007437
Energy: 0.6046470556875142
Energy: 0.4455900459751662
Energy: 0.4457680729079326
Energy: 0.6142565432907791
Energy: 0.44651881177623565
Energy: 0.44587090428922643
Energy: 0.4718676735744807
Energy: 0.4694825803994467
Energy: 0.47702846101029994
Energy: 0.46551371615784193
Energy: 0.47620909305674763
Energy: 0.4644396345899858
Energy: 0.6048689900918586
Energy: 0.4778839717049825
Energy: 0.46388710417927304
Energy: 0.6050640556687192
Energy: 0.49237973924632417
Energy: 0.6057936306225131
Energy: 0.4684785348876861
Energy: 0.4766706667336957
Energy: 0.47092870586275315
Energy: 0.4751046861907042
Energy: 0.47479087977734624
Energy: 0.46563426225325116
Energy: 0.9531320191699519
Energy: 0.4762045251323112
Energy: 0.4655170428695607
Energy: 0.4452337348373443
Energy: 0.46987218684536414
Energy: 0.6285839840286638
Energy: 0.4883001575504488
Energy: 0.46759302928516383
Energy: 0.46813171437095064
Energy: 0.45713031536908794
Energy: 0.4784178134710301
Energy: 0.44697289127965767
Energy: 0.47134882048202625
Energy: 0.46893201695040815
Energy: 0.46812278477158503
Energy: 0.46662448476870677
Energy: 0.46859247534893406
Energy: 0.47139709321725964
Energy: 0.4697546928958265
Energy: 0.46738821938244746
Energy: 0.464166148731514
Energy: 0.46778915961281625
Energy: 0.46821980163177385
Energy: 0.466563834309422
Energy: 0.46821425857891197
Energy: 0.46787371028865016
Energy: 0.46306919193877694
Energy: 0.4822538432898394
Energy: 0.4652954669955416
Energy: 0.4644755752060298
Energy: 0.6732590283748086
Energy: 0.48250571439861023
Energy: 0.491405390630906
Energy: 0.6723140382757283
Energy: 0.49153332832355706
Energy: 0.47458213562102786
Energy: 0.5289386516639326
Energy: 0.4688900503048807
Energy: 0.4648584778370455
Energy: 0.47443175139942095
Energy: 0.4689495951513909
Energy: 0.4644277559572854
Energy: 0.4901019482183167
Energy: 0.46756660114927573
Energy: 0.6014387951718494
Energy: 0.44535648548400675
Energy: 0.6060608010175951
Energy: 0.45782069660015073
Energy: 0.5296543071961133
Energy: 0.4673143180712404
Energy: 0.46767120322941924
Energy: 0.47533444198207253
Energy: 0.46604041969956206
Energy: 0.4706162579149182
Energy: 0.5271651207554168
Energy: 0.46740085621365934
Energy: 0.46804847348078743
Energy: 0.4665432393939645
Energy: 0.47505856835578875
Energy: 0.47871795680600576
Energy: 0.5270937220202567
Energy: 0.6152948918927221
Energy: 0.47180733281872766
Energy: 0.46642515134809337
Energy: 0.602538212813746
Energy: 0.4707920897507195
Energy: 0.5271882873548167
Energy: 0.46552365104136806
Energy: 0.47336297371714764
Energy: 0.4737977176155363
Energy: 0.456900680630273
Energy: 0.466696322044653
Energy: 0.6045309952717794
Energy: 0.4452729559538705
Energy: 0.7509254980401859
Energy: 0.6194803561860255
Energy: 0.4654763916975581
Energy: 0.7508061778583173
Energy: 0.47075346503232934
Energy: 0.4763176196236155
Energy: 0.47212190864982845
Energy: 0.4691203903413885
Energy: 0.4747513320065037
Energy: 0.478235497356675
Energy: 0.6072099117212238
Energy: 0.46414373175303447
Energy: 0.46722813391396834
Energy: 0.6072056236830873
Energy: 0.46957876820742916
Energy: 0.6063024689650583
Energy: 0.4693191732462317
Energy: 0.4777687869429968
Energy: 0.47390947685571005
Energy: 0.46816380548537384
Energy: 0.4658980542360251
Energy: 0.4688656820664874
Energy: 0.5610992997449389
Energy: 0.4753416533016021
Energy: 0.44746324042890717
Energy: 0.449162467172906
Energy: 0.48722795602519514
Energy: 0.4482584567089811

minimum gb energy = 0.4452337348373443 eV
minimum distance =  2.40453258223159 Angstroms
sigma value = 33


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

Energy: 0.6175388239385604
Energy: 0.5602912121647327
Energy: 0.9679806948403017
Energy: 0.4979804081952441
Energy: 0.5546595107132404
Energy: 0.502315729338447
Energy: 0.522604007796023
Energy: 0.5180950429472235
Energy: 0.5168397053914936
Energy: 0.5162808656773772
Energy: 0.5153243049643613
Energy: 0.5048054061739848
Energy: 0.5272772962788108
Energy: 0.5091155603959879
Energy: 0.5084291074245921
Energy: 0.5189739422664681
Energy: 0.5079359248883925
Energy: 0.5082153837714267
Energy: 0.5287522283915378
Energy: 0.5185620651599684
Energy: 0.5064706412692707
Energy: 0.5194689697930673
Energy: 0.5073808649404314
Energy: 0.5208689411812281
Energy: 0.5227250395366112
Energy: 0.5196130117625299
Energy: 0.4919521230975144
Energy: 0.5185172222903939
Energy: 0.5314973024880965
Energy: 0.49177176833146335
Energy: 0.6090108745830217
Energy: 0.5058153879362375
Energy: 0.5038104000480412
Energy: 0.5193148957368038
Energy: 0.5213794629778012
Energy: 0.506236664589644
Energy: 0.5547315015448454
Energy: 0.5166644141795719
Energy: 0.5186058377826239
Energy: 0.5155945973494573
Energy: 0.5307157361489365
Energy: 0.5048436713565153
Energy: 0.6149654332351157
Energy: 0.736458576699849
Energy: 0.4980320854705504
Energy: 0.49116282546066314
Energy: 0.7387358863621125
Energy: 0.499306211313553
Energy: 0.5545912036962353
Energy: 0.5067337518298523
Energy: 0.5073878054310202
Energy: 0.5357906270996855
Energy: 0.4909320538843292
Energy: 0.49340184022807015
Energy: 0.5566475992910855
Energy: 0.510224308218725
Energy: 0.5098540146467724
Energy: 0.5223722560100802
Energy: 0.5066666373974315
Energy: 0.5092520099493872
Energy: 0.5561826118341244
Energy: 0.5071281420094023
Energy: 0.5063653742248649
Energy: 0.5168470873352127
Energy: 0.5324068793597776
Energy: 0.5048613078436477
Energy: 0.5552584559985663
Energy: 0.5306038456680016
Energy: 0.4885119402720537
Energy: 0.5376092560075598
Energy: 0.5075875397664692
Energy: 0.4889657601367382
Energy: 0.5632300677162554
Energy: 0.4894725522828235
Energy: 0.48902655744012274
Energy: 0.5135960495997043
Energy: 0.49395769664648087
Energy: 0.489162594756268
Energy: 0.5240153607477239
Energy: 0.5172128935885855
Energy: 0.50427882426542
Energy: 0.5168624281228575
Energy: 0.5309034977809421
Energy: 0.5039445228924619
Energy: 0.5011771149073573
Energy: 0.5075261036430703
Energy: 0.5078137687691081
Energy: 0.508071878326718
Energy: 0.5071922470035156
Energy: 0.5181185261888087
Energy: 0.5224622851452265
Energy: 0.5305439802837097
Energy: 0.5176811155927615
Energy: 0.530370540751231
Energy: 0.5156277052730127
Energy: 0.5039072096249072
Energy: 0.6021255754886479
Energy: 0.5073992021347934
Energy: 0.5338669414433003
Energy: 0.523963630774885
Energy: 0.5093385857298512
Energy: 0.5118513320831299
Energy: 0.5574635537668059
Energy: 0.49380989195750724
Energy: 0.49232321647825716
Energy: 0.5305403952924584
Energy: 0.5363601950907775
Energy: 0.49184270793387985
Energy: 0.5269951804276954
Energy: 0.49506924877958414
Energy: 0.49040614110880304
Energy: 0.5078195607780756
Energy: 0.535067423385017
Energy: 0.5171707465699944
Energy: 0.493954380096389
Energy: 0.4907629671609448
Energy: 0.49110066080416276
Energy: 0.4942718538282479
Energy: 0.5347763884342578
Energy: 0.5064787886028034
Energy: 0.4903564182609548
Energy: 0.51757397793578
Energy: 0.49309064198069275
Energy: 0.4910616556375622
Energy: 0.49374607580557917
Energy: 0.49203701132491906
Energy: 0.5317510139548662
Energy: 0.5094001827956062
Energy: 0.5093639559011547
Energy: 0.5076485650751772
Energy: 0.5108267913978046
Energy: 0.5101203237512585
Energy: 0.5227653923244888
Energy: 0.5169603518649821
Energy: 0.5156243799938599
Energy: 0.5036156445530735
Energy: 0.5290353884948799
Energy: 0.4933215621001975
Energy: 0.5532509306002944
Energy: 0.5182440890595479
Energy: 0.48937389156948596
Energy: 0.4999389392881346
Energy: 0.5201126119305699
Energy: 0.4890548533134551
Energy: 0.5530294940983814
Energy: 0.5294579650006314
Energy: 0.5042769979033084
Energy: 0.5151360336733372
Energy: 0.5179846881719617
Energy: 0.504570243930567
Energy: 0.5295071449002591
Energy: 0.520552736679043
Energy: 0.5080067723976789
Energy: 0.5196922099591226
Energy: 0.5221455475832181
Energy: 0.5082296289614794
Energy: 0.5269747837762081
Energy: 0.5060158680753232
Energy: 0.50482376499764
Energy: 0.5187642712085622
Energy: 0.5182513757578843
Energy: 0.5068922659166152
Energy: 0.5230796699659135
Energy: 0.5060567116927565
Energy: 0.4917983770104934
Energy: 0.5172080929560573
Energy: 0.5286086256685127
Energy: 0.5039900520128306
Energy: 0.5338606535495528
Energy: 0.5063791678678219
Energy: 0.5068514153911178
Energy: 0.5356213386109487
Energy: 0.5077251289747191
Energy: 0.5088604115698222
Energy: 0.5543321801528865
Energy: 0.5080539354085677
Energy: 0.5105996699742502
Energy: 0.5152482725331908
Energy: 0.504946722623118
Energy: 0.5044606923596857
Energy: 0.6161819743803864
Energy: 0.5065638830710998
Energy: 0.4977843387157875
Energy: 0.4906408036898668
Energy: 0.5068526075420535
Energy: 0.4984885603508933
Energy: 0.5558047600161278
Energy: 0.5067062141177243
Energy: 0.5061262715204284
Energy: 0.5339163700552116
Energy: 0.49224601835180515
Energy: 0.4936392677564953
Energy: 0.5566522321305114
Energy: 0.529055344014531
Energy: 0.5073592965356624
Energy: 0.519292252898244
Energy: 0.522904503887707
Energy: 0.5065669899045734
Energy: 0.5563462326649781
Energy: 0.5410035770397897
Energy: 0.5072738355757487
Energy: 0.5189399422593663
Energy: 0.5280272094519927
Energy: 0.5058606855249814
Energy: 0.5560293817786393
Energy: 0.5235760911912446
Energy: 0.48948909611785585
Energy: 0.5366740182025259
Energy: 0.5246543282297005
Energy: 0.49292452678892473
Energy: 0.5638746103382937
Energy: 0.48970220075736237
Energy: 0.48891831724564133
Energy: 0.5209786836659315
Energy: 0.4970094859747751
Energy: 0.48948285649476914
Energy: 0.5228159735172646
Energy: 0.5156931814150488
Energy: 0.5171052789368744
Energy: 0.5166776274297032
Energy: 0.5160208304846521
Energy: 0.5038909655827645
Energy: 0.5046835594537223
Energy: 0.5093831858815238
Energy: 0.5195863639646503
Energy: 0.5062607607871943
Energy: 0.5090077564870581
Energy: 0.5189075672302244
Energy: 0.5226976356438026
Energy: 0.5158086733477917
Energy: 0.5043262977533726
Energy: 0.5072278255890789
Energy: 0.5159702746170408
Energy: 0.5036007693926293
Energy: 0.6022263776177816
Energy: 0.5184446362893237
Energy: 0.49284044993554027
Energy: 0.5210621882500169
Energy: 0.5188511005490928
Energy: 0.5081073249906887
Energy: 0.5544562976866717
Energy: 0.4940596657949661
Energy: 0.4925908120275078
Energy: 0.5323217231248619
Energy: 0.5380059705792891
Energy: 0.49258732207334627
Energy: 0.524495417447313
Energy: 0.5171758875911802
Energy: 0.4911237894642566
Energy: 0.5077304727277282
Energy: 0.5340896284315885
Energy: 0.5052710854619882
Energy: 0.5310293974496018
Energy: 0.49311650029666393
Energy: 0.4903520487744966
Energy: 0.5086856354346125
Energy: 0.49372161325982594
Energy: 0.4920664970219327
Energy: 0.4892923872787509
Energy: 0.5364335213313115
Energy: 0.5164041024985166
Energy: 0.49008005697903806
Energy: 0.5360275705175008
Energy: 0.5069879398839611
Energy: 0.7356508903198816
Energy: 0.5098739009798625
Energy: 0.5153816935855627
Energy: 0.7365530715354868
Energy: 0.5112400656285626
Energy: 0.5179827134340698
Energy: 0.5226343485741747
Energy: 0.5177502106072986
Energy: 0.5058491311876312
Energy: 0.5305566027343385
Energy: 0.5284823625781048
Energy: 0.519526012210608
Energy: 0.5556066974194481
Energy: 0.5179047031899618
Energy: 0.4893301830834458
Energy: 0.4956187050250257
Energy: 0.516991000859184
Energy: 0.48937147707481127

minimum gb energy = 0.4885119402720537 eV
minimum distance =  2.41587157329733 Angstroms
sigma value = 67


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

Energy: 0.744330054755941
Energy: 0.5839273002701101
Energy: 0.5319738456251477
Energy: 0.5327159493945934
Energy: 0.584106370609961
Energy: 0.5318562515404895
Energy: 0.5823970874276264
Energy: 0.5463979709296244
Energy: 0.5453714908704611
Energy: 0.5484120955241168
Energy: 0.5481616525511297
Energy: 0.5452781642298662
Energy: 0.586504610500852
Energy: 0.5244288198637821
Energy: 0.5497143799580049
Energy: 0.5468821027761896
Energy: 0.5242573991757531
Energy: 0.5498021125683045
Energy: 0.5864526709808265
Energy: 0.5454273114342346
Energy: 0.5441554752197859
Energy: 0.5468276225236405
Energy: 0.5458200944928251
Energy: 0.5441669962911564
Energy: 0.5776471684547909
Energy: 0.5484384280056113
Energy: 0.548203490822414
Energy: 0.5759061046361549
Energy: 0.5481718508971261
Energy: 0.548534923528747
Energy: 0.5787664605571643
Energy: 0.5466532954894299
Energy: 0.5513952014026487
Energy: 0.5771087367068215
Energy: 0.5438312005275627
Energy: 0.5521007984615509
Energy: 0.6292688578817123
Energy: 0.5468613005564457
Energy: 0.5458227390101287
Energy: 0.5239257445336662
Energy: 0.5502014870857627
Energy: 0.545731541758628

minimum gb energy = 0.5239257445336662 eV
minimum distance =  2.44891868014046 Angstroms
sigma value = 3


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

Energy: 0.8472530057375526
Energy: 0.693634596572131
Energy: 0.671159072934951
Energy: 0.6720577937202731
Energy: 0.7269764004845501
Energy: 0.6653647602608641
Energy: 0.6576858462579185
Energy: 0.6527637447686705
Energy: 0.6490919096942764
Energy: 0.6536419716815068
Energy: 0.6591222974009404
Energy: 0.6353602310818645
Energy: 0.6574943506352502
Energy: 0.6443714248710906
Energy: 0.6441742312697409
Energy: 0.6572639814506155
Energy: 0.6432169444946971
Energy: 0.6657997200013951
Energy: 0.6416168153683389
Energy: 0.6529037046537742
Energy: 0.6383386735929979
Energy: 0.6421878957490793
Energy: 0.6453180394482667
Energy: 0.638379961120438
Energy: 0.6440660248893268
Energy: 0.6440053342302405
Energy: 0.6428926586065398
Energy: 0.6443222222628082
Energy: 0.6446069766817387
Energy: 0.6497610391905291
Energy: 0.639115470764704
Energy: 0.6416646145940711
Energy: 0.6415487064643751
Energy: 0.6394676793653663
Energy: 0.6446019336735175
Energy: 0.6532245605339986
Energy: 0.6358188953633487
Energy: 0.6428176093381778
Energy: 0.64786613438386
Energy: 0.6332900308846874
Energy: 0.6449059457447193
Energy: 0.6446289713311008
Energy: 0.8136768212724192
Energy: 0.6475146037714893
Energy: 0.6571177311746085
Energy: 0.6735273949410142
Energy: 0.6717855090299476
Energy: 0.6566945349257385
Energy: 0.636708735595922
Energy: 0.6428261558658379
Energy: 0.6466392718281193
Energy: 0.6359519637440805
Energy: 0.6406134475347524
Energy: 0.6557356872842958
Energy: 0.6867989549224913
Energy: 0.6388961211479446
Energy: 0.6389288945737617
Energy: 0.672237234871159
Energy: 0.638659938888905
Energy: 0.6575066743121369
Energy: 0.6886090706478085
Energy: 0.638426869685824
Energy: 0.6534311194373819
Energy: 0.660071462578864
Energy: 0.6386537587390564
Energy: 0.656039120859548
Energy: 0.6807877869441642
Energy: 0.6464168798936516
Energy: 0.6489192631051661
Energy: 0.6445492686253799
Energy: 0.6406830638999154
Energy: 0.6515032782043328
Energy: 0.6645610233692525
Energy: 0.6480982454844476
Energy: 0.6496386113990408
Energy: 0.6387019338936257
Energy: 0.6463583956647055
Energy: 0.6384630288518643
Energy: 0.6845111202934115
Energy: 0.637070738068704
Energy: 0.6403850345354716
Energy: 0.6512817565613048
Energy: 0.6409457928073409
Energy: 0.6424332616080932
Energy: 0.6953012617934666
Energy: 0.6722304397347476
Energy: 0.6723856302422442
Energy: 0.6415351559305051
Energy: 0.6729220857833583
Energy: 0.6748963496731393
Energy: 0.6831659453146081
Energy: 0.6598985930617879
Energy: 0.6580893503514217
Energy: 0.6513450316148782
Energy: 0.6556250212010901
Energy: 0.6557667750574232
Energy: 0.7373734843699069
Energy: 0.6480437712113375
Energy: 0.6478561937871355
Energy: 0.6579647222927557
Energy: 0.648901638524116
Energy: 0.6639201871033741
Energy: 0.6454198037852186
Energy: 0.6488983692442211
Energy: 0.6432118268659033
Energy: 0.6437295425920512
Energy: 0.6376393998849016
Energy: 0.6661502609176394
Energy: 0.7348663280228961
Energy: 0.6732259512529857
Energy: 0.6389567825672618
Energy: 0.664312227531731
Energy: 0.6608982938757566
Energy: 0.6390246730520694
Energy: 0.7177611444345966
Energy: 0.6430950531598664
Energy: 0.643074839953979
Energy: 0.6380100025014785
Energy: 0.6426327191884671
Energy: 0.6402326395859429
Energy: 0.6588015523046267
Energy: 0.6451486173834338
Energy: 0.6458264706747487
Energy: 0.6427913894189384
Energy: 0.645445305497607
Energy: 0.6466483695106867
Energy: 0.6501753000574368
Energy: 0.6475168080985965
Energy: 0.6459603266468792
Energy: 0.6435856052055828
Energy: 0.6483890304488147
Energy: 0.641696280739127
Energy: 0.647043909717155
Energy: 0.6422178101235129
Energy: 0.6425913407580532
Energy: 0.647116047868388
Energy: 0.6289954714069634
Energy: 0.6412953517266249
Energy: 0.6717098985388436
Energy: 0.6682873886953037
Energy: 0.6681569439586793
Energy: 0.6467750481113801
Energy: 0.6633241092629518
Energy: 0.6423293812833861
Energy: 0.642594816696708
Energy: 0.636950852128148
Energy: 0.6363698630785289
Energy: 0.6468443580481594
Energy: 0.6491975635282592
Energy: 0.6397767024822525
Energy: 0.7591822122458501
Energy: 0.6557559916250926
Energy: 0.6422792216704024
Energy: 0.645524409230557
Energy: 0.6575892149901553
Energy: 0.6400716073285626
Energy: 0.6266223467894245
Energy: 0.6460302213290514
Energy: 0.640260205736745
Energy: 0.6463298857413748
Energy: 0.6697724402152755
Energy: 0.6403423944197303
Energy: 0.6445850730885491
Energy: 0.6381832230940218
Energy: 0.6402560377542663
Energy: 0.6460881743864901
Energy: 0.6373971816855643
Energy: 0.6405554901643857
Energy: 0.6573192854605346
Energy: 0.645410132717404
Energy: 0.644910089130543
Energy: 0.6568643235935949
Energy: 0.6481135035711608
Energy: 0.6421690464199022
Energy: 0.6385821665820971
Energy: 0.6485991860781715
Energy: 0.6416827723027193
Energy: 0.6394691748121178
Energy: 0.6477838521114972
Energy: 0.6413051347677021
Energy: 0.6918481639340156
Energy: 0.6676403385828485
Energy: 0.6675495661613134
Energy: 0.6460587655429499
Energy: 0.652620622057866
Energy: 0.6461363403214879
Energy: 0.6481478269557038
Energy: 0.6459074745617253
Energy: 0.6530595893132077
Energy: 0.648054366991006
Energy: 0.6460573351052501
Energy: 0.6507834467356604
Energy: 0.745731355266293
Energy: 0.6549805649766308
Energy: 0.6652414683775104
Energy: 0.6412269442716075
Energy: 0.65186901390065
Energy: 0.6466997571157391
Energy: 0.6562671834506726
Energy: 0.6472132550829756
Energy: 0.6495141453535379
Energy: 0.6544419545401597
Energy: 0.633368750111388
Energy: 0.649464341555094
Energy: 0.6521449930546567
Energy: 0.6606547545745177
Energy: 0.6608673182464988
Energy: 0.6362659622643634
Energy: 0.657833970416391
Energy: 0.6530237952890697
Energy: 0.6785688805253128
Energy: 0.6387698170445788
Energy: 0.638881722679412
Energy: 0.6729059671985458
Energy: 0.6458797122954542
Energy: 0.6569131514191521
Energy: 0.6910945113184408
Energy: 0.6434192222251097
Energy: 0.6470424742203554
Energy: 0.6582656217506846
Energy: 0.6378199216789948
Energy: 0.6495150743576911
Energy: 0.6661497551899351
Energy: 0.6820666478678599
Energy: 0.6408711521865604
Energy: 0.6364367261028712
Energy: 0.6428348643848554
Energy: 0.6755777043747889
Energy: 0.6870397335505417
Energy: 0.637926942539282
Energy: 0.6452618418513605
Energy: 0.6500904446188445
Energy: 0.6351319361055672
Energy: 0.6495601726158612
Energy: 0.6945749855981498
Energy: 0.6360267038408479
Energy: 0.6361863501087565
Energy: 0.6413979372559924
Energy: 0.6358942477130082
Energy: 0.636843535026873
Energy: 0.6476299231024291
Energy: 0.6654762388747615
Energy: 0.6341686235178409
Energy: 0.6549211698265944
Energy: 0.6684037620370388
Energy: 0.6345823218985637
Energy: 0.7378834993858379
Energy: 0.6425208528013958
Energy: 0.6429967395472241
Energy: 0.6618747874033858
Energy: 0.6563233925821103
Energy: 0.6419309232638816
Energy: 0.7803845624077341
Energy: 0.6469597320065459
Energy: 0.6464879983665963
Energy: 0.6898831785998644
Energy: 0.6473934863655888
Energy: 0.668700471834731
Energy: 0.637899938210885
Energy: 0.6618706252265499
Energy: 0.6566284742909677
Energy: 0.6324493412902378
Energy: 0.661608787478839
Energy: 0.6558342492698838
Energy: 0.7856512453781656
Energy: 0.6709047051316225
Energy: 0.6733927959883907
Energy: 0.6733409280365591
Energy: 0.6742692933069255
Energy: 0.6731687320215144
Energy: 0.6421040119527901
Energy: 0.6369570731727877
Energy: 0.6367952251630137
Energy: 0.6392922459396068
Energy: 0.640723928129163
Energy: 0.6378366808238936
Energy: 0.6422114377004989
Energy: 0.6420405730647009
Energy: 0.6530779338869026
Energy: 0.6439323212279602
Energy: 0.6421299495697388
Energy: 0.6503979488566494
Energy: 0.6497076907625219
Energy: 0.6445378442198896
Energy: 0.6434875466302618
Energy: 0.6474549223498635
Energy: 0.6429483075819292
Energy: 0.6453301750622052
Energy: 0.6526816271710333
Energy: 0.6398683102432958
Energy: 0.6390885911237897
Energy: 0.65275541785051
Energy: 0.6348021994103036
Energy: 0.638629776299371
Energy: 0.6609118326522039
Energy: 0.6358459633799899
Energy: 0.636160779972706
Energy: 0.6602686662599428
Energy: 0.6353279759891278
Energy: 0.6374308066362786
Energy: 0.6484377723600623
Energy: 0.6549515124057408
Energy: 0.6563048461252159
Energy: 0.6447901153933673
Energy: 0.6552957701504555
Energy: 0.6402875356769205

minimum gb energy = 0.6266223467894245 eV
minimum distance =  2.37600021884112 Angstroms
sigma value = 81


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

Energy: 1.0982901511770753
Energy: 0.645938468194338
Energy: 0.6284910959113713
Energy: 0.6208331290434662
Energy: 0.6464885908768508
Energy: 0.6264969035926691
Energy: 0.6339950349251875
Energy: 0.6310262939790529
Energy: 0.6343723969331989
Energy: 0.6366783794023472
Energy: 0.6333528656337534
Energy: 0.6358610362704493
Energy: 0.660213903433156
Energy: 0.6215563408197828
Energy: 0.6240925226827508
Energy: 0.6668125029149797
Energy: 0.6237682357374127
Energy: 0.6472840484582661
Energy: 0.6353642772979305
Energy: 0.6210884689918865
Energy: 0.6333778512852957
Energy: 0.6354554292998997
Energy: 0.6229264810914696
Energy: 0.6370232612797375
Energy: 0.6369816060362156
Energy: 0.6342520270258784
Energy: 0.63446169808887
Energy: 0.6347117488850348
Energy: 0.6334007682457216
Energy: 0.6343669110907554
Energy: 0.646279706414299
Energy: 0.6339590509311361
Energy: 0.6348589818992267
Energy: 0.6431550799755636
Energy: 0.6333230338684069
Energy: 0.6350409124350948
Energy: 0.633608841103073
Energy: 0.6258493523857368
Energy: 0.6313402191596262
Energy: 0.6632864878630106
Energy: 0.6207003876018465
Energy: 0.6285817927365596
Energy: 0.7462801221737245
Energy: 0.6844494970357184
Energy: 0.6660282145897405
Energy: 0.6587704453342407
Energy: 0.6970611361058648
Energy: 0.6581092548243275
Energy: 0.6234912780337147
Energy: 0.6269058116740553
Energy: 0.632945560348652
Energy: 0.6513697352211142
Energy: 0.6192604217668694
Energy: 0.6295195119574293
Energy: 0.6508442567966004
Energy: 0.5964291162525959
Energy: 0.5958618471702193
Energy: 0.6556622654333895
Energy: 0.5972113950428388
Energy: 0.5956029742118043
Energy: 0.6274535737690762
Energy: 0.6016847525179927
Energy: 0.5975845240024942
Energy: 0.6311901014468859
Energy: 0.6065016115920179
Energy: 0.625270118356813
Energy: 0.6228167259663544
Energy: 0.6275589473862163
Energy: 0.6261024342581354
Energy: 0.6211967252397127
Energy: 0.6173130490443505
Energy: 0.6307267723939655
Energy: 0.6238310261254574
Energy: 0.62077195894041
Energy: 0.6271271404866432
Energy: 0.6242528504398912
Energy: 0.6399670576243461
Energy: 0.628071987476804
Energy: 0.6432770935421329
Energy: 0.63530535331541
Energy: 0.633460903809578
Energy: 0.6346840348444229
Energy: 0.6359757602448417
Energy: 0.6343297282063524
Energy: 0.7655416639105075
Energy: 0.6896413675341144
Energy: 0.6871293803513906
Energy: 0.6393534551927939
Energy: 0.68179687137586
Energy: 0.6371533414856984
Energy: 0.6517567201902708
Energy: 0.6347420087588757
Energy: 0.634089842699279
Energy: 0.6468354741795027
Energy: 0.6356964671986044
Energy: 0.6346907253774955
Energy: 0.729246671082274
Energy: 0.6218982527158984
Energy: 0.638647544954873
Energy: 0.6613378222966497
Energy: 0.619940925526995
Energy: 0.6414259699573207
Energy: 0.6252861224497117
Energy: 0.6356427915637443
Energy: 0.6384968027618642
Energy: 0.6227636623065554
Energy: 0.6281946579807757
Energy: 0.6370928567806802
Energy: 0.7010876466584945
Energy: 0.6282286196061768
Energy: 0.5950271795797349
Energy: 0.5952934334269524
Energy: 0.6352175821071272
Energy: 0.5946652048841039
Energy: 0.7023133717800939
Energy: 0.6284939540127497
Energy: 0.595361132746214
Energy: 0.5933128609625173
Energy: 0.6344574595113774
Energy: 0.5950408269358247
Energy: 0.6253473839158821
Energy: 0.6298306674769196
Energy: 0.6385347757131251
Energy: 0.6231408559264026
Energy: 0.6280788137183148
Energy: 0.6275059289653409
Energy: 0.6393428183426334
Energy: 0.6363582316514379
Energy: 0.6325595992544646
Energy: 0.6552455801311828
Energy: 0.6302472170468391
Energy: 0.6328477763077353
Energy: 0.6471116007197334
Energy: 0.6353154812256406
Energy: 0.6356816305786787
Energy: 0.6478170497115808
Energy: 0.6345820285433456
Energy: 0.6339659423958064
Energy: 0.6481990555425672
Energy: 0.6365014431173649
Energy: 0.6411543441923345
Energy: 0.6386529902195222
Energy: 0.6373146712639849
Energy: 0.6409963159085115
Energy: 0.6431525101218942
Energy: 0.6346370022889283
Energy: 0.6340663111197661
Energy: 0.6661089607209628
Energy: 0.6361027987542105
Energy: 0.6341171724023003
Energy: 0.700236767223462
Energy: 0.665135374394049
Energy: 0.6637553459327938
Energy: 0.6156169678136302
Energy: 0.6609526026564845
Energy: 0.6643446657202371
Energy: 0.7048382072047155
Energy: 0.627009420676871
Energy: 0.6256660063103452
Energy: 0.6140494384448176
Energy: 0.626569039951251
Energy: 0.6321154115062413
Energy: 0.6260385912111407
Energy: 0.5968968848963992
Energy: 0.6239640145335054
Energy: 0.6262472863562109
Energy: 0.6069959579973538
Energy: 0.6235767579537457
Energy: 0.6453772872868807
Energy: 0.5967764961281341
Energy: 0.5966618459285042
Energy: 0.6432285359350448
Energy: 0.5977723036413506
Energy: 0.6269477899622312
Energy: 0.6261988902493435
Energy: 0.6250454217799172
Energy: 0.6306983412573586
Energy: 0.6273344345771322
Energy: 0.623345373264531
Energy: 0.6279310564696118
Energy: 0.6242482687032948
Energy: 0.6443851178215244
Energy: 0.6189502807445267
Energy: 0.6248938125091141
Energy: 0.657777478032684
Energy: 0.6225627226639683
Energy: 0.6371228465621445
Energy: 0.6179152908254548
Energy: 0.6263079513822207
Energy: 0.6308876532802561
Energy: 0.6185515419324913
Energy: 0.6293121763541822
Energy: 0.7092953677414712
Energy: 0.6328964097706697
Energy: 0.6326907505766272
Energy: 0.6387136935027309
Energy: 0.634509801112643
Energy: 0.634893124556163
Energy: 0.6396365982296164
Energy: 0.6361078948439435
Energy: 0.6361321583162611
Energy: 0.664313876043
Energy: 0.6223082707786899
Energy: 0.636055946274329
Energy: 0.641178185183922
Energy: 0.6337710025661073
Energy: 0.6376600185852832
Energy: 0.6406098766767111
Energy: 0.614628247116998
Energy: 0.6385329007575793
Energy: 0.7285598503492269
Energy: 0.6195138803199606
Energy: 0.6199353636119372
Energy: 0.6928968184839341
Energy: 0.6188734199769129
Energy: 0.6518711769936175
Energy: 0.6341171238963819
Energy: 0.6254157215479674
Energy: 0.6320527972782538
Energy: 0.6364110875830963
Energy: 0.6197065473414886
Energy: 0.6364979565486573
Energy: 0.8064556278653932
Energy: 0.6565511471496013
Energy: 0.6254653263469363
Energy: 0.6176828032501936
Energy: 0.6588894260792938
Energy: 0.6219767682944326

minimum gb energy = 0.5933128609625173 eV
minimum distance =  2.39756510435957 Angstroms
sigma value = 43


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

Energy: 0.8799035608345364
Energy: 0.6552208440354663
Energy: 0.6267588349518862
Energy: 0.6337893152266904
Energy: 0.65667109938235
Energy: 0.6337647675267701
Energy: 0.623107710718811
Energy: 0.632083392073212
Energy: 0.6226601579832096
Energy: 0.6477679773525359
Energy: 0.6193420270654424
Energy: 0.6259310969623495
Energy: 0.6232768360329894
Energy: 0.6285090322334459
Energy: 0.6125176777258519
Energy: 0.6232398107370183
Energy: 0.6125094025361771
Energy: 0.6231704072126643
Energy: 0.6225050887037512
Energy: 0.6291334970239209
Energy: 0.6235083930629979
Energy: 0.6223477835513189
Energy: 0.6125334423993561
Energy: 0.6227583033943997
Energy: 0.6259200733761922
Energy: 0.6288251618289891
Energy: 0.627209717813925
Energy: 0.6242975178681728
Energy: 0.6237799938094819
Energy: 0.6249864062506072
Energy: 0.624417964357137
Energy: 0.62452493860923
Energy: 0.6256272709151324
Energy: 0.6235520608997647
Energy: 0.6268832991178221
Energy: 0.6263715756306782
Energy: 0.6255998075024548
Energy: 0.6225833027388739
Energy: 0.6222767836002955
Energy: 0.6244919380009697
Energy: 0.6235335035080528
Energy: 0.6238055916619978
Energy: 0.6936216225317527
Energy: 0.6232378397517258
Energy: 0.623255824022935
Energy: 0.616435317414203
Energy: 0.6234042662388419
Energy: 0.693257409526222
Energy: 0.6203644165466895
Energy: 0.6244844089246624
Energy: 0.6238350750839691
Energy: 0.6207617213660429
Energy: 0.6247296634964848
Energy: 0.6233630097677824
Energy: 0.6183352283496584
Energy: 0.6236066161543448
Energy: 0.6236920335129068
Energy: 0.6254581274619647
Energy: 0.623308512120651
Energy: 0.6237970709654848
Energy: 0.6186322354143325
Energy: 0.6304371545217482
Energy: 0.6171878583079778
Energy: 0.618305273593985
Energy: 0.6269448608863012
Energy: 0.6214528085558132
Energy: 0.6275603173337732
Energy: 0.6236920736054783
Energy: 0.6236502398530904
Energy: 0.6190951226222073
Energy: 0.6574260957654411
Energy: 0.6320810396963601
Energy: 0.7165878047464853
Energy: 0.6233565247885593
Energy: 0.6306710431541659
Energy: 0.6133768929907318
Energy: 0.6233945215166781
Energy: 0.6307002503490352
Energy: 0.6192362069448403
Energy: 0.6325821728589307
Energy: 0.6348514434681022
Energy: 0.618400823628194
Energy: 0.6251641333846204
Energy: 0.6228901486155213
Energy: 0.6184648402165516
Energy: 0.6171898607469646
Energy: 0.6172856823507762
Energy: 0.6232378961207412
Energy: 0.6105105616116002
Energy: 0.6224477481770723
Energy: 0.6180064607158476
Energy: 0.6325172456542135
Energy: 0.6272081192789974
Energy: 0.617719016378444
Energy: 0.634760486545026
Energy: 0.6223867804532482
Energy: 0.6188642463998469
Energy: 0.6182429857991809
Energy: 0.6306046674868008
Energy: 0.618914329487
Energy: 0.6213265715988218
Energy: 0.6188247213519458
Energy: 0.6183952582845651
Energy: 0.623509497390243
Energy: 0.6176801078219809
Energy: 0.6361921442026697
Energy: 0.6443861666791226
Energy: 0.6182264997545269
Energy: 0.6189670239835884
Energy: 0.6181636304285627
Energy: 0.6180738328249614
Energy: 0.6247518699005719
Energy: 0.6192429424179243
Energy: 0.6235588215913225
Energy: 0.693484252530086
Energy: 0.6181055918777595
Energy: 0.6185754604816837
Energy: 0.6240798480391482
Energy: 0.6358488294911414
Energy: 0.6320722736442848
Energy: 0.6177402726006644
Energy: 0.6245410289155787
Energy: 0.6193928371452185
Energy: 0.6352694111074881
Energy: 0.6249806222174832
Energy: 0.6183207818059481
Energy: 0.6973137252144631
Energy: 0.6662926309905746
Energy: 0.6618339428969845
Energy: 0.634559478764344
Energy: 0.6123420964761697
Energy: 0.6620199612066262
Energy: 0.6325612408450939
Energy: 0.6245754278037636
Energy: 0.6246046343314932
Energy: 0.6273608504313023
Energy: 0.6397054084336172
Energy: 0.6430235999610413
Energy: 0.673678127161381
Energy: 0.6545084427180436
Energy: 0.6179550404481814
Energy: 0.6198197748470342
Energy: 0.7080364435646463
Energy: 0.6186643739531166
Energy: 0.6373381519050745
Energy: 0.6175871220363258
Energy: 0.6179879824436616
Energy: 0.6308638803962211
Energy: 0.6176614072929602
Energy: 0.6233460189712827
Energy: 0.6605155044734665
Energy: 0.6240242726195618
Energy: 0.623096254633534
Energy: 0.6185027878236478
Energy: 0.6192336416691542
Energy: 0.6180576315644345
Energy: 0.6598339386007468
Energy: 0.6248479256597913
Energy: 0.6228911613516508
Energy: 0.6332607811005115
Energy: 0.6272473738837734
Energy: 0.6224344822702446
Energy: 0.6503236076931977
Energy: 0.6313762379390527
Energy: 0.6328161454257855
Energy: 0.6235213921133608
Energy: 0.6238876432467572
Energy: 0.6235693681818351
Energy: 0.6267571680329755
Energy: 0.6229179178636818
Energy: 0.622565930857127
Energy: 0.6268045146830793
Energy: 0.6156583462834778
Energy: 0.6687158649534031
Energy: 0.6217830068214747
Energy: 0.624252271836178
Energy: 0.6342125893285545
Energy: 0.6479996041090575
Energy: 0.6188771157393007
Energy: 0.6252839283673267
Energy: 0.8234610528643724
Energy: 0.645981566967626
Energy: 0.6136604392951582
Energy: 0.6319975223605983
Energy: 0.6169012833836546
Energy: 0.6136612333083208

minimum gb energy = 0.6105105616116002 eV
minimum distance =  2.38180247084702 Angstroms
sigma value = 57


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

Energy: 0.7036045936082869
Energy: 0.6740282249934048
Energy: 0.6245957356784272
Energy: 0.6554770117322029
Energy: 0.6740133680550736
Energy: 0.6246747015066318
Energy: 0.6449522364367206
Energy: 0.6383835916061229
Energy: 0.6325661448490117
Energy: 0.6445921308575314
Energy: 0.658926363807332
Energy: 0.6458001839185897
Energy: 0.6503380153577523
Energy: 0.6157494453243822
Energy: 0.6155777756421308
Energy: 0.6404138934664618
Energy: 0.6179583620734573
Energy: 0.6160653474522019
Energy: 0.645886292390159
Energy: 0.6157636053303457
Energy: 0.616725809209391
Energy: 0.6368960752196785
Energy: 0.6144690113921543
Energy: 0.6347303957838555
Energy: 0.6476270132345592
Energy: 0.6352158685548234
Energy: 0.634446654436227
Energy: 0.6354241094241037
Energy: 0.6338657557384383
Energy: 0.6291958513992213
Energy: 0.614315573997533
Energy: 0.6320723467797753
Energy: 0.631844732389111
Energy: 0.6277357823173068
Energy: 0.6328531509777547
Energy: 0.6300379519713615
Energy: 0.5956349325925971
Energy: 0.6519047512843205
Energy: 0.6487535754850441
Energy: 0.587383340461725
Energy: 0.6575994051480886
Energy: 0.6464474477170035
Energy: 0.6420568988690243
Energy: 0.6683253330271673
Energy: 0.6682024530257509
Energy: 0.6260719923729728
Energy: 0.6685613634876642
Energy: 0.6643766588777318
Energy: 0.5956445774309524
Energy: 0.6445426405236389
Energy: 0.6488024596380523
Energy: 0.5865943667714086
Energy: 0.6457017078816493
Energy: 0.5900200044713574
Energy: 0.6051591748442675
Energy: 0.6298660669496073
Energy: 0.645274972654038
Energy: 0.5870915077905565
Energy: 0.6292481876776996
Energy: 0.6404494980439184
Energy: 0.5859378220176956
Energy: 0.6447867938252418
Energy: 0.5842824097076287
Energy: 0.5845334660579397
Energy: 0.6292142329069248
Energy: 0.5840026591268829
Energy: 0.5831610649853693
Energy: 0.6475935196684626
Energy: 0.5961223945273652
Energy: 0.5850958920718744
Energy: 0.6492722721234714
Energy: 0.5944731883416167
Energy: 0.584608561119644
Energy: 0.6446293309622153
Energy: 0.643671009138139
Energy: 0.5938210961378123
Energy: 0.6455625553105515
Energy: 0.6420630611228001
Energy: 0.5829917142653378
Energy: 0.5933848872655257
Energy: 0.5910265852812251
Energy: 0.5850126282694353
Energy: 0.5981814834221355
Energy: 0.5866902885577785
Energy: 0.5874696522630497
Energy: 0.6090656435259743
Energy: 0.6122761435154734
Energy: 0.6162944201567926
Energy: 0.6092215072135293
Energy: 0.640945910447552
Energy: 0.5999151664374897
Energy: 0.5849508114033337
Energy: 0.5834951159539712
Energy: 0.5842084549013411
Energy: 0.5952733465735799
Energy: 0.5836526721221977
Energy: 0.5988914752305939
Energy: 0.6405550086933934
Energy: 0.6414172430052558
Energy: 0.5851793574965427
Energy: 0.6468604959141041
Energy: 0.6420976873661561
Energy: 0.5987641279042824
Energy: 0.6401240847856969
Energy: 0.6413681952658655
Energy: 0.6400422004156956
Energy: 0.644511507234695
Energy: 0.6422628948035812
Energy: 0.6861955138960226
Energy: 0.6503767102825014
Energy: 0.6332978165643041
Energy: 0.6344101334908318
Energy: 0.652698236368007
Energy: 0.6330703071009369
Energy: 0.6576055572372325
Energy: 0.6506634438215432
Energy: 0.6331113203455977
Energy: 0.6327978011432321
Energy: 0.6504180047722055
Energy: 0.63276944612925
Energy: 0.6524744914488478
Energy: 0.6338075031823438
Energy: 0.6357518036200568
Energy: 0.6412444501701307
Energy: 0.6421220605934707
Energy: 0.6352082342097413
Energy: 0.7578267923928231
Energy: 0.6650655366479853
Energy: 0.6342193717632677
Energy: 0.6771628797423784
Energy: 0.6365561634590011
Energy: 0.633650370794595
Energy: 0.6448444766678831
Energy: 0.638251817053655
Energy: 0.6374893019186019
Energy: 0.6417053498422507
Energy: 0.6404858530592155
Energy: 0.6414187203227891
Energy: 0.6093921021587622
Energy: 0.6522771328373596
Energy: 0.6398350823195834
Energy: 0.6252030108368258
Energy: 0.6549223102280342
Energy: 0.6369347844029304

minimum gb energy = 0.5829917142653378 eV
minimum distance =  2.33663420925907 Angstroms
sigma value = 17


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

Energy: 0.9273080338010536
Energy: 0.9540633032080961
Energy: 0.7253901392557037
Energy: 0.5802292177919213
Energy: 0.6316004763311485
Energy: 0.5845918873615661
Energy: 0.7067657733756646
Energy: 0.6447328407846207
Energy: 0.6143298101231806
Energy: 0.6542154020524106
Energy: 0.6551707158906721
Energy: 0.608377083677465
Energy: 0.6289853457788693
Energy: 0.5892743077438517
Energy: 0.5899752519789951
Energy: 0.6387009354729638
Energy: 0.5892379896541492
Energy: 0.5827428868640377
Energy: 0.6435457927671706
Energy: 0.5858923402110139
Energy: 0.5827975612529781
Energy: 0.644005255191481
Energy: 0.5799948448322431
Energy: 0.6090707663420233
Energy: 0.5745982127155266
Energy: 0.5785339262320685
Energy: 0.5767625848615774
Energy: 0.5748659639810371
Energy: 0.5779735622725931
Energy: 0.5767342624738068
Energy: 0.5905878610439255
Energy: 0.5767367754265663
Energy: 0.5764649846794156
Energy: 0.583212000776815
Energy: 0.5676838456387454
Energy: 0.5571530015889833
Energy: 0.5660222065502855
Energy: 0.5663961766350083
Energy: 0.5656224532662236
Energy: 0.5761441885505848
Energy: 0.5697981121066167
Energy: 0.5651633511985739
Energy: 0.5808865631857012
Energy: 0.5593172937230374
Energy: 0.5592196359003571
Energy: 0.558348886839087
Energy: 0.5611335108618061
Energy: 0.5972693231106482
Energy: 0.568653692115859
Energy: 0.5594361186302695
Energy: 0.559053764287405
Energy: 0.5697947349490519
Energy: 0.558488209132862
Energy: 0.5653130859544285
Energy: 0.5671716765281035
Energy: 0.5762711747373432
Energy: 0.5765687782784814
Energy: 0.5665209346736291
Energy: 0.5766998387476815
Energy: 0.5778820887846847
Energy: 0.5794646276301484
Energy: 0.5762903684758525
Energy: 0.5767900636336024
Energy: 0.5778682906851054
Energy: 0.6127200821632101
Energy: 0.5767954919212349
Energy: 0.5719673335064973
Energy: 0.6416472782284911
Energy: 0.6409965347749662
Energy: 0.5625597654843447
Energy: 0.6413468768784576
Energy: 0.6089649520738042
Energy: 0.6417069867101061
Energy: 0.6378255879496403
Energy: 0.6423660073075033
Energy: 0.5762134366402737
Energy: 0.6371700912798306
Energy: 0.6434439292891555
Energy: 0.5709016653477188
Energy: 0.6455384081374543
Energy: 0.6081038596240629
Energy: 0.5678435540148105
Energy: 0.6554404954326702
Energy: 0.6070828698025353
Energy: 0.6310641611184089
Energy: 0.6407066225991955
Energy: 0.6091123206658542
Energy: 0.6327390415464519
Energy: 0.6357284897019341
Energy: 0.6093691241120248
Energy: 0.5914504698875545
Energy: 0.6561167975309838
Energy: 0.609589212065992
Energy: 0.6559506187413328
Energy: 0.6521036324794321
Energy: 0.6448214861666784
Energy: 0.6326872826708537
Energy: 0.6325155732678227
Energy: 0.6766301660681129
Energy: 0.5804572889439169
Energy: 0.6331714536546431
Energy: 0.5892354232407205

minimum gb energy = 0.5571530015889833 eV
minimum distance =  2.42344595402148 Angstroms
sigma value = 17


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

Energy: 0.9816001922760913
Energy: 0.6134462920405751
Energy: 0.5985192468639162
Energy: 0.5975355837423859
Energy: 0.9012109141103727
Energy: 0.5995257197187158
Energy: 0.6750773012157063
Energy: 0.5590144982290519
Energy: 0.5548996219210088
Energy: 0.6184337855650288
Energy: 0.5664240702064732
Energy: 0.5930561537575404
Energy: 0.7336456384555131
Energy: 0.5301160242319255
Energy: 0.5757238368559773
Energy: 0.6401693616839005
Energy: 0.5466188752656959
Energy: 0.5787044311156966
Energy: 0.5656046372634149
Energy: 0.5774565615253566
Energy: 0.5777680382073364
Energy: 0.5739879184712222
Energy: 0.5374136491831748
Energy: 0.577160060175738
Energy: 0.5595273225180127
Energy: 0.5578479077158175
Energy: 0.5556058784243064
Energy: 0.5601607690074968
Energy: 0.5563828744580718
Energy: 0.5501254099760615
Energy: 0.574564517493848
Energy: 0.557025809624278
Energy: 0.5298907063143788
Energy: 0.529067771339509
Energy: 0.5513779699020745
Energy: 0.5289361162221942
Energy: 0.5157004563286057
Energy: 0.5507260044652901
Energy: 0.5506498882451047
Energy: 0.5213899465237292
Energy: 0.5544518199325453
Energy: 0.5218535344003635
Energy: 0.5170971204118444
Energy: 0.5119711891528752
Energy: 0.5220039321026101
Energy: 0.5219272031990392
Energy: 0.5120287381727812
Energy: 0.5214563175055938
Energy: 0.5160534970020045
Energy: 0.5239462891824448
Energy: 0.5232526818803921
Energy: 0.5169179839711426
Energy: 0.5189632913207657
Energy: 0.5163676061229152
Energy: 0.5156745232770246
Energy: 0.5107552569385007
Energy: 0.5112828469314334
Energy: 0.5154835271041174
Energy: 0.5126453158511713
Energy: 0.5115309285450708
Energy: 0.5162912548147527
Energy: 0.5114251063061391
Energy: 0.5113858192083192
Energy: 0.5114831504495647
Energy: 0.5152940339808002
Energy: 0.510840468644619
Energy: 0.5647107899818734
Energy: 0.5163686084415072
Energy: 0.5162197298742105
Energy: 0.5250110510792044
Energy: 0.5189737982041558
Energy: 0.5242021471191646
Energy: 0.5264903849953156
Energy: 0.5511942216868859
Energy: 0.5220275296745465
Energy: 0.5248698459352237
Energy: 0.5225711891783723
Energy: 0.5223654609647498
Energy: 0.5542009930835469
Energy: 0.5299628271815601
Energy: 0.5219004028000646
Energy: 0.5552604084696736
Energy: 0.5207441080449751
Energy: 0.5506062205402741
Energy: 0.5518106522664377
Energy: 0.5219725845124037
Energy: 0.5243713376215295
Energy: 0.5518422098715889
Energy: 0.5229402914042074
Energy: 0.5557584931804678
Energy: 0.6237819960150445
Energy: 0.5529070342705015
Energy: 0.5589093348884357
Energy: 0.5608071721151601
Energy: 0.5598127702367793
Energy: 0.5588835859797714
Energy: 0.5161212143629605
Energy: 0.6356190488579516
Energy: 0.6220680920046838
Energy: 0.5186788544072066
Energy: 0.6391544323938779
Energy: 0.5569590929685262
Energy: 0.5169853918706171
Energy: 0.6334935664791324
Energy: 0.6197653779555795
Energy: 0.5562973688867388
Energy: 0.6394655735483502
Energy: 0.5572295931310122
Energy: 0.5554605890174497
Energy: 0.6189762162350444
Energy: 0.5945684422809784
Energy: 0.5754587616299848
Energy: 0.5645293648432008
Energy: 0.5569172725909337
Energy: 0.7410252255049066
Energy: 0.5569550250432003
Energy: 0.5575015370728801
Energy: 0.6350870095008435
Energy: 0.5508917974835215
Energy: 0.6162877702499466
Energy: 0.6850539812816737
Energy: 0.616774713101853
Energy: 0.6340252429820161
Energy: 0.635200781364451
Energy: 0.6221068413784195
Energy: 0.6174212032683213
Energy: 0.523056747835031
Energy: 0.6220942574416009
Energy: 0.6595365262925926
Energy: 0.5770943953253679
Energy: 0.6211204990390903
Energy: 0.5783675092065479
Energy: 0.5253881719740736
Energy: 0.6371896114807828
Energy: 0.6445275598344151
Energy: 0.5268943566467982
Energy: 0.6371566671391368
Energy: 0.651153744243787
Energy: 0.7354899802808824
Energy: 0.5658456795488218
Energy: 0.6057171930351656
Energy: 0.6362212801974824
Energy: 0.5250178826546301
Energy: 0.6170746537959942
Energy: 0.6338209773403187
Energy: 0.5244996548802737
Energy: 0.5762866370236147
Energy: 0.6355424038562703
Energy: 0.5286818131692139
Energy: 0.5767203696103969
Energy: 0.5600090145858182
Energy: 0.5644987109358699
Energy: 0.5597588429711812
Energy: 0.561063861053351
Energy: 0.5613471893472001
Energy: 0.5611388627796842
Energy: 0.5794714369736522
Energy: 0.5962800968035845
Energy: 0.5747889072326158
Energy: 0.5237940304922785
Energy: 0.5534251868870169
Energy: 0.5227231586749299
Energy: 0.512568256645668
Energy: 0.5554603544523882
Energy: 0.5518296762586974
Energy: 0.5128502334012403
Energy: 0.5522382389651044
Energy: 0.5509687668523273
Energy: 0.5168821463730867
Energy: 0.5199726039572248
Energy: 0.5195896757078293
Energy: 0.5239320194099601
Energy: 0.5530364496923048
Energy: 0.519474624692946
Energy: 0.5239183534822136
Energy: 0.5111230955619904
Energy: 0.5216674116504675
Energy: 0.5160823820811777
Energy: 0.5112219994840148
Energy: 0.5215294013409507
Energy: 0.5195685210221931
Energy: 0.5117142486785329
Energy: 0.5107157923603409
Energy: 0.5205982441081145
Energy: 0.511191141541262
Energy: 0.5100256595848194
Energy: 0.5273657995894035
Energy: 0.511142314732784
Energy: 0.5113228504162747
Energy: 0.5170038356933819
Energy: 0.5110732349885722
Energy: 0.511272311089329
Energy: 0.568205451926578
Energy: 0.5199936824607154
Energy: 0.5159023712167734
Energy: 0.5676589634941951
Energy: 0.5167242782872944
Energy: 0.5153629914971957
Energy: 0.5516219552329398
Energy: 0.5209928180664646
Energy: 0.5236556134068004
Energy: 0.5201579007341615
Energy: 0.521742376021971
Energy: 0.5207494314682296
Energy: 0.5579921672894598
Energy: 0.5250797087664811
Energy: 0.5194958236773118
Energy: 0.5588929718809017
Energy: 0.5243426510464742
Energy: 0.5204388141029267
Energy: 0.5560402631141594
Energy: 0.5220035736168103
Energy: 0.5590139335916132
Energy: 0.5566989927781826
Energy: 0.5209789940160042
Energy: 0.5583628606629857
Energy: 0.6934702445448565
Energy: 0.5559837604602713
Energy: 0.5555861639925626
Energy: 0.5542029307673705
Energy: 0.5693710568761208
Energy: 0.5557734096194658
Energy: 0.520446049123228
Energy: 0.6384136320412768
Energy: 0.5618800694529753
Energy: 0.5531233572411549
Energy: 0.635383028231132
Energy: 0.557666384212957
Energy: 0.615523025287075
Energy: 0.6229797984542069
Energy: 0.5628563377905208
Energy: 0.5732881638901327
Energy: 0.6457212198514406
Energy: 0.5607365818566106
Energy: 0.5517083479620155
Energy: 0.6102659747301952
Energy: 0.6160851512857246
Energy: 0.5506731580011177
Energy: 0.6370143886313391
Energy: 0.6010064922694606
Energy: 0.7001421824356007
Energy: 0.5610342599216868
Energy: 0.6119130764112709
Energy: 0.6404900629086225
Energy: 0.5606999838780533
Energy: 0.6190790197147147
Energy: 0.734018892885741
Energy: 0.5950729877799208
Energy: 0.5971930236859656
Energy: 0.6373574203510067
Energy: 0.5548755988916718
Energy: 0.6169479710139392
Energy: 0.5259843011704346
Energy: 0.6592335441316103
Energy: 0.6340524728710671
Energy: 0.5260501698696873
Energy: 0.6372826724284295
Energy: 0.6555222712687867

minimum gb energy = 0.5100256595848194 eV
minimum distance =  2.35525316084286 Angstroms
sigma value = 57


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

Energy: 0.8807856122939737
Energy: 0.7891364022040072
Energy: 0.5641438178821859
Energy: 0.49836159780849326
Energy: 0.8213428507698645
Energy: 0.5657119302214763
Energy: 0.6462787222477265
Energy: 0.532574477754092
Energy: 0.5222940330397627
Energy: 0.6017437393735466
Energy: 0.5377992591742394
Energy: 0.566690807545012
Energy: 0.7000238191941249
Energy: 0.504853357864727
Energy: 0.5079015343638605
Energy: 0.5980708294362367
Energy: 0.5081964627764849
Energy: 0.5435912189579419
Energy: 0.6080424101233234
Energy: 0.5043599512867449
Energy: 0.5535836490356122
Energy: 0.540153541859395
Energy: 0.5006428821436565
Energy: 0.563922521479352
Energy: 0.5340088448116584
Energy: 0.5236429179917489
Energy: 0.5204198195944149
Energy: 0.5341871405254144
Energy: 0.55665529916439
Energy: 0.5203139987354866
Energy: 0.5056275698151788
Energy: 0.5279423343150966
Energy: 0.5055332803234946
Energy: 0.48392109327279176
Energy: 0.5503846209744302
Energy: 0.5051700926744026
Energy: 0.49586758898938077
Energy: 0.5433031593600738
Energy: 0.5477857978459979
Energy: 0.4965012928857983
Energy: 0.5435219008469329
Energy: 0.4942156236961861
Energy: 0.4997955750429668
Energy: 0.481191940690532
Energy: 0.48181457730300953
Energy: 0.5268906802186428
Energy: 0.481236510899323
Energy: 0.4937577412719357
Energy: 0.4970431618877479
Energy: 0.4990974151795031
Energy: 0.4957675691713963
Energy: 0.4983556446901358
Energy: 0.49995407530145114
Energy: 0.4957117370167407
Energy: 0.5080514814926134
Energy: 0.5040150598683918
Energy: 0.47651090667057067
Energy: 0.5082439581909545
Energy: 0.5059626437790056
Energy: 0.4763828711339713
Energy: 0.4811221094915204
Energy: 0.4775450511552296
Energy: 0.47742493750476156
Energy: 0.47191136943880235
Energy: 0.4869762253314716
Energy: 0.4758162942318831
Energy: 0.48487874206336334
Energy: 0.4820286008533777
Energy: 0.48650132023109266
Energy: 0.4729147860722661
Energy: 0.48246097889728046
Energy: 0.4700765699323374
Energy: 0.476643346339074
Energy: 0.4953867831136139
Energy: 0.4924443583700045
Energy: 0.48132686569857536
Energy: 0.47556303113877496
Energy: 0.49111339680782473
Energy: 0.4765486120022216
Energy: 0.49204456620574233
Energy: 0.47819716836693044
Energy: 0.47768619988330285
Energy: 0.4862884924078521
Energy: 0.4861424882791525
Energy: 0.4763673176768932
Energy: 0.4752934741986226
Energy: 0.47546291682503805
Energy: 0.47601298750113935
Energy: 0.47735560083925077
Energy: 0.4759077085878684
Energy: 0.5053496329613251
Energy: 0.5064678934717834
Energy: 0.4757507651081028
Energy: 0.4764774217583516
Energy: 0.5033852079538462
Energy: 0.476017398372352
Energy: 0.47803105805000756
Energy: 0.5029715638699449
Energy: 0.4956366054413519
Energy: 0.47659906121026235
Energy: 0.503390798564545
Energy: 0.4941318499528451
Energy: 0.47880936457621753
Energy: 0.4944980541897085
Energy: 0.4926395178528653
Energy: 0.5051626578625765
Energy: 0.49977967208489843
Energy: 0.49381547926783886
Energy: 0.5386281051993291
Energy: 0.505470033240907
Energy: 0.5264622259332303
Energy: 0.5396981943016528
Energy: 0.5006443838653696
Energy: 0.5492827674804298
Energy: 0.6025865572156351
Energy: 0.4917088817797538
Energy: 0.4951848349072708
Energy: 0.5374674065297524
Energy: 0.49571433689638994
Energy: 0.5263649037003203
Energy: 0.6614486159905179
Energy: 0.5387072832789139
Energy: 0.5413185983705145
Energy: 0.5566292488304878
Energy: 0.5471905972745621
Energy: 0.5409295029934926
Energy: 0.47616796045140947
Energy: 0.6046150011468764
Energy: 0.5371972138823261
Energy: 0.4968204378076381
Energy: 0.6010322581934581
Energy: 0.5332148161278982
Energy: 0.4995937164896405
Energy: 0.5887259828508428
Energy: 0.5900169544361036
Energy: 0.49946024931748306
Energy: 0.600290495941912
Energy: 0.5754716452364531
Energy: 0.6594148746179398
Energy: 0.5387138240173519
Energy: 0.5226483677726781
Energy: 0.5420072859356876
Energy: 0.5374458417175187
Energy: 0.5589722294601434
Energy: 0.7045864764921667
Energy: 0.5216286073731539
Energy: 0.531656741707191
Energy: 0.5999927448709282
Energy: 0.5196161341812671
Energy: 0.5817617112167026
Energy: 0.6953739741329207
Energy: 0.5828797961622685
Energy: 0.573827802704926
Energy: 0.5989924759534737
Energy: 0.6001130517970542
Energy: 0.5773759605847214
Energy: 0.4805095458388321
Energy: 0.5959322406270201
Energy: 0.5789215511718641
Energy: 0.4976541285009981
Energy: 0.6005899668247332
Energy: 0.5590273157724115

minimum gb energy = 0.4700765699323374 eV
minimum distance =  2.39090160244306 Angstroms
sigma value = 43


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

Energy: 0.817734603010047
Energy: 0.5593158191434942
Energy: 0.4972556829074182
Energy: 0.4518105824070496
Energy: 0.5322540371006574
Energy: 0.4640385987861202
Energy: 0.565974277847993
Energy: 0.44269930831196297
Energy: 0.4404983320298318
Energy: 0.5058027204835693
Energy: 0.46657951789198143
Energy: 0.4355840647205049
Energy: 0.6027615355268602
Energy: 0.42820082664846976
Energy: 0.4200464707693823
Energy: 0.47809053594678536
Energy: 0.4277736900987058
Energy: 0.43353158579803336
Energy: 0.5319377246123894
Energy: 0.42407941452347214
Energy: 0.4474147249009628
Energy: 0.4681562563260063
Energy: 0.4371324962343603
Energy: 0.4847886502278835
Energy: 0.4798539786307975
Energy: 0.4363913193576065
Energy: 0.43887428768916853
Energy: 0.47129560476636634
Energy: 0.4595131285960961
Energy: 0.4312807727274492
Energy: 0.4303712470921637
Energy: 0.4410531039532958
Energy: 0.4252047188070623
Energy: 0.4157056842519166
Energy: 0.48051637275596765
Energy: 0.40974308779950885
Energy: 0.560224743975632
Energy: 0.4558832038572995
Energy: 0.48049783120298994
Energy: 0.4508993363096477
Energy: 0.48399019563704404
Energy: 0.4121334413961765
Energy: 0.5511194415190414
Energy: 0.39840052331173104
Energy: 0.40525771003329697
Energy: 0.41419991593715844
Energy: 0.3991406222962345
Energy: 0.40522231055988045
Energy: 0.44515534936420637
Energy: 0.4225184820144869
Energy: 0.4307714738476729
Energy: 0.4455957581078995
Energy: 0.4063748724509928
Energy: 0.44350726384394484
Energy: 0.4435404977689214
Energy: 0.4169973198839247
Energy: 0.3963833284582232
Energy: 0.4435602767503599
Energy: 0.4131141656046703
Energy: 0.3968861480507549
Energy: 0.3979909263764508
Energy: 0.4220098201918466
Energy: 0.3975240228725222
Energy: 0.40591039074635304
Energy: 0.42087048890368794
Energy: 0.39267628022577467
Energy: 0.44734040671736564
Energy: 0.42014924780860874
Energy: 0.42045149144582206
Energy: 0.4109692384297847
Energy: 0.42015802381519135
Energy: 0.40304461698357186
Energy: 0.447206675599602
Energy: 0.40527687153300535
Energy: 0.4083174033786606
Energy: 0.40878929674449327
Energy: 0.4056261651815676
Energy: 0.40986433700759733
Energy: 0.4065088644378073
Energy: 0.414734715149365
Energy: 0.41083020313134144
Energy: 0.40763679176320894
Energy: 0.4005975220465568
Energy: 0.40653376171388345
Energy: 0.406510996509803
Energy: 0.39531297812196525
Energy: 0.39883915967669026
Energy: 0.4066005713710059
Energy: 0.4045213125237074
Energy: 0.39876735431412375
Energy: 0.4012114768031595
Energy: 0.4007503542561191
Energy: 0.40434951493272997
Energy: 0.4029086699385014
Energy: 0.4003957248610897
Energy: 0.40457123609833084
Energy: 0.4092646123510524
Energy: 0.4006638714175195
Energy: 0.40138272533278385
Energy: 0.40140148182826046
Energy: 0.4007186435840629
Energy: 0.40439498148168246
Energy: 0.400713533596608
Energy: 0.4029129475658131
Energy: 0.40397628416729536
Energy: 0.4101424749739953
Energy: 0.4028475602921325
Energy: 0.40439282568294527
Energy: 0.40053429265030366
Energy: 0.4097988885274542
Energy: 0.4041525342883939
Energy: 0.4018384803204696
Energy: 0.44220473526280124
Energy: 0.4001573605870121
Energy: 0.40003929510858727
Energy: 0.405073300400303
Energy: 0.40513397641268123
Energy: 0.4111721116304871
Energy: 0.40537274054569117
Energy: 0.4072168244518053
Energy: 0.4231650663704816
Energy: 0.4068671828176933
Energy: 0.4090386807171276
Energy: 0.4042468178847478
Energy: 0.40661942760992725
Energy: 0.4091210253555517
Energy: 0.4033369992997481
Energy: 0.4072096120123541
Energy: 0.3885264350129076
Energy: 0.3914384655053419
Energy: 0.4070585212767017
Energy: 0.38905022041876414
Energy: 0.42047459288752775
Energy: 0.38890377344970994
Energy: 0.3932607262735116
Energy: 0.42053639642481666
Energy: 0.39866129643219467
Energy: 0.3936695308324434
Energy: 0.4203989387961741
Energy: 0.3884358016279288
Energy: 0.42455539688251026
Energy: 0.4216420588916553
Energy: 0.4018089949228174
Energy: 0.42057223841547714
Energy: 0.5390647248466633
Energy: 0.4002914782665563
Energy: 0.3977950249960099
Energy: 0.39746594018203824
Energy: 0.3935495404323464
Energy: 0.39743990469306023
Energy: 0.5409032497310907
Energy: 0.4431450322209699
Energy: 0.44377253384184834
Energy: 0.4099663467432361
Energy: 0.4433058049757132
Energy: 0.3971432220324767
Energy: 0.39979808801345756
Energy: 0.44467422786357264
Energy: 0.41533733062611544
Energy: 0.4098847235972721
Energy: 0.4438466957971185
Energy: 0.40064262450911214
Energy: 0.45654089942582204
Energy: 0.4179092971763561
Energy: 0.4138553366762127
Energy: 0.45762369010255033
Energy: 0.43557690883203687
Energy: 0.413055679466147
Energy: 0.4811863835486081
Energy: 0.4317985265329594
Energy: 0.4661486262936126
Energy: 0.4821594022481185
Energy: 0.4014059330355789
Energy: 0.48073053955597544
Energy: 0.5702475368216287
Energy: 0.406802757417849
Energy: 0.417597356478393
Energy: 0.44106809223902804
Energy: 0.4068744277510578
Energy: 0.41751195066498115
Energy: 0.5743470686741813
Energy: 0.43739887674383926
Energy: 0.4655114615283991
Energy: 0.4720075652019792
Energy: 0.46664014661229575
Energy: 0.4275382962361884
Energy: 0.4424664156876502
Energy: 0.48532168618369353
Energy: 0.4428593637243111
Energy: 0.425421458359945
Energy: 0.511190684396336
Energy: 0.41901375754883186
Energy: 0.49363809473477377
Energy: 0.47694333960322666
Energy: 0.4723468195339784
Energy: 0.4814786768074475
Energy: 0.47702810043262883
Energy: 0.47037189896562664
Energy: 0.5719907159534969
Energy: 0.45934626066416095
Energy: 0.4618059939628869
Energy: 0.4704217836551113
Energy: 0.44913784180499233
Energy: 0.5152807948886755
Energy: 0.6047108882998357
Energy: 0.44292182680489545
Energy: 0.471374570433884
Energy: 0.5020997836015257
Energy: 0.44754951479135474
Energy: 0.4710702253864288
Energy: 0.5830859717946361
Energy: 0.48122109178385053
Energy: 0.4695352374207679
Energy: 0.5176221805561948
Energy: 0.5054394046200028
Energy: 0.4817765366597693

minimum gb energy = 0.3884358016279288 eV
minimum distance =  2.41517552153217 Angstroms
sigma value = 81


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

Energy: 0.028332358280540218
Energy: 0.029015003680367354
Energy: 0.02862312338774094
Energy: 0.030421444578888183
Energy: 0.08613367935511142
Energy: 0.028996329807065926
Energy: 0.05775001796676408
Energy: 0.02901701908561132
Energy: 0.029114731461434853
Energy: 0.05800670547456211
Energy: 0.030645556965656986
Energy: 0.02929137697929987
Energy: 0.05692171024739082
Energy: 0.028877742222496266
Energy: 0.028775263540535834
Energy: 0.05690778749675511
Energy: 0.028648880456202005
Energy: 0.05723549965913543
Energy: 0.03156661253262505
Energy: 0.028983592288827322
Energy: 0.02900067663009011
Energy: 0.03077079987072018
Energy: 0.028780112656719602
Energy: 0.057610405864020504
Energy: 0.05710459670094573
Energy: 0.05679683505471351
Energy: 0.05690989033612366
Energy: 0.057762845170056414
Energy: 0.05699229718815293
Energy: 0.0582180450777576
Energy: 0.029131089410049715
Energy: 0.029014345445220177
Energy: 0.02897497462558007
Energy: 0.030605363025118373
Energy: 0.029322043294397592
Energy: 0.029115653683591664
Energy: 0.05732545759077136
Energy: 0.029339148331517937
Energy: 0.029131775674459473
Energy: 0.05687232846375865
Energy: 0.028901674397562048
Energy: 0.029139124647570385
Energy: 0.05704629079584758
Energy: 0.028745477459529656
Energy: 0.02926485412256492
Energy: 0.05693380930791387
Energy: 0.028670742937134872
Energy: 0.05871300060146249
Energy: 0.029982473365761764
Energy: 0.028901527213464125
Energy: 0.059139662323272606
Energy: 0.031533974012644295
Energy: 0.029103430141640515
Energy: 0.05867960675886962
Energy: 0.02920372276892011
Energy: 0.056834835998248186
Energy: 0.05676292477074346
Energy: 0.02911590459481614
Energy: 0.056922118328711635
Energy: 0.056787037337006935

minimum gb energy = 0.028332358280540218 eV
minimum distance =  2.53438042038894 Angstroms
sigma value = 3


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

Energy: 0.47425110310226365
Energy: 0.4624173830896695
Energy: 0.4681824716353443
Energy: 0.43184362361288103
Energy: 0.46296520521671286
Energy: 0.4316874650248415
Energy: 0.48646742179572294
Energy: 0.47625772737395566
Energy: 0.4744943023207199
Energy: 0.4703914217914738
Energy: 0.4724080058776042
Energy: 0.4751267062366067
Energy: 0.47541873560654735
Energy: 0.442245111410824
Energy: 0.4424792010579988
Energy: 0.46784279752712876
Energy: 0.43838984154079164
Energy: 0.4626034414764316
Energy: 0.449368499701091
Energy: 0.4421617851630018
Energy: 0.44233655988304377
Energy: 0.449358641533167
Energy: 0.4078763300625758
Energy: 0.4656110230989021
Energy: 0.4045993234640508
Energy: 0.47576679514736636
Energy: 0.47452282969981835
Energy: 0.4051246515451651
Energy: 0.47322376762112983
Energy: 0.47422455955108056
Energy: 0.4522631184652346
Energy: 0.4808695119144933
Energy: 0.45210317598733274
Energy: 0.3739631771454297
Energy: 0.4798666081365477
Energy: 0.4252690804995104
Energy: 0.45227222483859864
Energy: 0.41204890392351917
Energy: 0.4600252236011961
Energy: 0.4519997065327578
Energy: 0.41675164210139704
Energy: 0.4590748122525864
Energy: 0.4472929403444
Energy: 0.4362315695572213
Energy: 0.434673098180663
Energy: 0.447355876047765
Energy: 0.35401900876810627
Energy: 0.4351728192186761
Energy: 0.4745588806534836
Energy: 0.4354977347862078
Energy: 0.4615585254697298
Energy: 0.46075593731875064
Energy: 0.3767724586607252
Energy: 0.4637513064233065
Energy: 0.38504197846076843
Energy: 0.41376033868132756
Energy: 0.41459546050481044
Energy: 0.4289697660314894
Energy: 0.41725414959425755
Energy: 0.4275756688423992
Energy: 0.4523002405920718
Energy: 0.4412228501297646
Energy: 0.44213310283858936
Energy: 0.36192300291030144
Energy: 0.45654224800693527
Energy: 0.4164598930692416
Energy: 0.382982010511065
Energy: 0.44426408163743664
Energy: 0.4444036039619276
Energy: 0.38293898920416586
Energy: 0.43330963537178385
Energy: 0.38280209031435447
Energy: 0.3861875680287261
Energy: 0.38525398789968335
Energy: 0.42282861412122585
Energy: 0.3860953155051979
Energy: 0.3496071034090714
Energy: 0.40533611443265877
Energy: 0.44360754158850013
Energy: 0.4164691070410517
Energy: 0.42317078195659374
Energy: 0.3872941457659356
Energy: 0.36481141484070545
Energy: 0.4229736873242599
Energy: 0.443773801132409
Energy: 0.3632064444427915
Energy: 0.3630169959699951
Energy: 0.44387535197709593
Energy: 0.3673245416989566
Energy: 0.3643210033570559
Energy: 0.4425638749297552
Energy: 0.41253307478088275
Energy: 0.4113343223163794
Energy: 0.3552435251729651
Energy: 0.43734753759124134
Energy: 0.4114101069123094
Energy: 0.3573731652112964
Energy: 0.4115648056524719
Energy: 0.4098897406775106
Energy: 0.3529849027711969
Energy: 0.3659853355732434
Energy: 0.3519902549844334
Energy: 0.3538250938151079
Energy: 0.3873480008043575
Energy: 0.40641844344001454
Energy: 0.3541207404534284
Energy: 0.3554102531580558
Energy: 0.4070711758280867
Energy: 0.4476335322854888
Energy: 0.39237466750990435
Energy: 0.40609287762153506
Energy: 0.35595357435594827
Energy: 0.35431190040689803
Energy: 0.40600323101191943
Energy: 0.43848401305679807
Energy: 0.3525468429428226
Energy: 0.352269409314374
Energy: 0.4381845915601256
Energy: 0.35745818941516344
Energy: 0.3534073065492241
Energy: 0.43755262132403255
Energy: 0.4120355992967696
Energy: 0.4111945822461844
Energy: 0.3652916934233397
Energy: 0.41066215271087797
Energy: 0.41016488765756975
Energy: 0.3680684028848857
Energy: 0.41224162481730203
Energy: 0.41026672349571347
Energy: 0.36642455853298195
Energy: 0.4097404567529148
Energy: 0.3634304957184478
Energy: 0.36370684985181345
Energy: 0.3871190163522247
Energy: 0.42379525827075865
Energy: 0.36366253292672246
Energy: 0.3893183387225715
Energy: 0.3863790353080937
Energy: 0.4451031963818221
Energy: 0.3851584633451761
Energy: 0.4227158552589045
Energy: 0.355454237163386
Energy: 0.38478073872744356
Energy: 0.41173168622693723
Energy: 0.4590812375837729
Energy: 0.3828889733909703
Energy: 0.3830567418313765
Energy: 0.45676196787244217
Energy: 0.389749952507288
Energy: 0.38419858425593706
Energy: 0.4597911110830347
Energy: 0.42739993152056716
Energy: 0.42773243470968314
Energy: 0.45713916022914064
Energy: 0.4077118609747726
Energy: 0.44249130832846995
Energy: 0.41593620937066944
Energy: 0.42693139785454853
Energy: 0.4293635728945411
Energy: 0.41641257631067197
Energy: 0.46245266708895644
Energy: 0.4281995594112509
Energy: 0.3916631015278281
Energy: 0.4071222375098159
Energy: 0.40919188599387674
Energy: 0.3917375065335099
Energy: 0.40901021888468664
Energy: 0.4615304081686229
Energy: 0.45801910853816613
Energy: 0.45510076003437444
Energy: 0.45186516055632703
Energy: 0.3665181565853127
Energy: 0.4477115261863631
Energy: 0.42095329951288557
Energy: 0.4199687591878809
Energy: 0.45961829344994864
Energy: 0.4563996535504772
Energy: 0.41930595494476364
Energy: 0.45046402190504337
Energy: 0.46914898802666527
Energy: 0.4638689517298084
Energy: 0.44267089443741986
Energy: 0.4405250956169981
Energy: 0.4635304164975461
Energy: 0.3580008881724999
Energy: 0.4405211372188072
Energy: 0.5137338140081033
Energy: 0.4418244187701815
Energy: 0.47150357630218626
Energy: 0.47802196018440246
Energy: 0.38591494953535316
Energy: 0.5012315631653952
Energy: 0.4125548771984595
Energy: 0.44654305439687025
Energy: 0.454994850596265
Energy: 0.41287776261026066
Energy: 0.4510136904133718
Energy: 0.4438944423555769

minimum gb energy = 0.3496071034090714 eV
minimum distance =  2.35943734989197 Angstroms
sigma value = 67


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

Energy: 0.5582799406379922
Energy: 0.5605874483895369
Energy: 0.5450265581401443
Energy: 0.45945152788320065
Energy: 0.6247074747475293
Energy: 0.5453975081845528
Energy: 0.5640671476503621
Energy: 0.5699503100941498
Energy: 0.5667795381556376
Energy: 0.5550553476826415
Energy: 0.5763107403067064
Energy: 0.5541626379926112
Energy: 0.5658587627213032
Energy: 0.500508746220084
Energy: 0.5402615192932233
Energy: 0.5532788846001768
Energy: 0.5003728786016146
Energy: 0.5450043517416209
Energy: 0.5225090305632745
Energy: 0.5411191921251214
Energy: 0.5398413518297769
Energy: 0.5231497432253357
Energy: 0.5257936726863409
Energy: 0.5477173525198342
Energy: 0.5193373034643352
Energy: 0.5632855671397512
Energy: 0.5625246206504995
Energy: 0.5198050975046945
Energy: 0.5632086561885518
Energy: 0.5749364841920848
Energy: 0.539637641340005
Energy: 0.5488056286754391
Energy: 0.536229328902446
Energy: 0.4776448770670967
Energy: 0.5552480410008236
Energy: 0.5265255522965346
Energy: 0.5314868331970198
Energy: 0.5334809491489932
Energy: 0.530156586174002
Energy: 0.5330830090535137
Energy: 0.5348698126626017
Energy: 0.5278693406291682
Energy: 0.522808483741394
Energy: 0.4603846282674915
Energy: 0.511721236924662
Energy: 0.5230127610409848
Energy: 0.4559760219835606
Energy: 0.5406905305792321
Energy: 0.5505185544879404
Energy: 0.5411385777752407
Energy: 0.5420836262766784
Energy: 0.5356171532834336
Energy: 0.4855765251878718
Energy: 0.5405029373161031
Energy: 0.5129098617812348
Energy: 0.48635650106116685
Energy: 0.4874670276494346
Energy: 0.5107252049115951
Energy: 0.4856417453627086
Energy: 0.4992564863998573
Energy: 0.5119753935778757
Energy: 0.5167789641767929
Energy: 0.5160039803607512
Energy: 0.45998097680838756
Energy: 0.5393514944067722
Energy: 0.5163997666748474
Energy: 0.4649859617700039
Energy: 0.48941906529626844
Energy: 0.5126819167895539
Energy: 0.4653019620564044
Energy: 0.48701150948583366
Energy: 0.46071592680878576
Energy: 0.4640417007753239
Energy: 0.4655668259320508
Energy: 0.4600041970791239
Energy: 0.4645318886375615
Energy: 0.46166128424749264
Energy: 0.4599738979435119
Energy: 0.5407356565593007
Energy: 0.5072311204499294
Energy: 0.5049554421236597
Energy: 0.4600512070649828
Energy: 0.5030532259835839
Energy: 0.5042348823646703
Energy: 0.5395632271040741
Energy: 0.46200162266569306
Energy: 0.4644901576292409
Energy: 0.5391102360756976
Energy: 0.461033094202082
Energy: 0.4601283734782702
Energy: 0.5408035429654041
Energy: 0.5173126756583172
Energy: 0.5142780526882847
Energy: 0.4840182266098736
Energy: 0.5099700196169926
Energy: 0.5126114662370826
Energy: 0.4841746977467751
Energy: 0.4564553066332921
Energy: 0.5029946244850597
Energy: 0.4848552070608265
Energy: 0.4525862677963508
Energy: 0.49826826132394914
Energy: 0.4907295581947896
Energy: 0.5419308250710161
Energy: 0.5406837555506987
Energy: 0.48290711625987137
Energy: 0.5362425447722545
Energy: 0.4846536119306423
Energy: 0.5364803505883274
Energy: 0.5356419065566707
Energy: 0.5277270963736942
Energy: 0.4645412306589193
Energy: 0.5532724757034322
Energy: 0.5285883487749984
Energy: 0.4878004912134083
Energy: 0.5314759335025315
Energy: 0.5308409765614045
Energy: 0.5322257681621333
Energy: 0.5287092248538342
Energy: 0.5431427541541983
Energy: 0.5328524170933296
Energy: 0.5050503581116956
Energy: 0.5545281004642298
Energy: 0.5326705489025786
Energy: 0.5247346181329536
Energy: 0.5526353509211007
Energy: 0.5647970219881185
Energy: 0.5227308228459732
Energy: 0.5484734165476055
Energy: 0.5540544278149488
Energy: 0.4635017616328934
Energy: 0.5525511031121021
Energy: 0.5295343708454807
Energy: 0.5294013781742463
Energy: 0.5311812420696093
Energy: 0.5304074757308024
Energy: 0.5231199650685456
Energy: 0.5275045531521115

minimum gb energy = 0.4525862677963508 eV
minimum distance =  2.35215501693835 Angstroms
sigma value = 33


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

Energy: 0.6423707106375863
Energy: 0.6167707710414745
Energy: 0.6524850340909449
Energy: 0.5581022334560619
Energy: 0.6596015485982044
Energy: 0.6078394759365987
Energy: 0.6489353833223082
Energy: 0.6365918166967914
Energy: 0.6362525145319778
Energy: 0.6379309496093466
Energy: 0.6311425778942521
Energy: 0.6389103772750117
Energy: 0.6495185266015439
Energy: 0.5783331568714108
Energy: 0.598181958724926
Energy: 0.6312525683565787
Energy: 0.5746891463003003
Energy: 0.5983589891075958
Energy: 0.5838463724188934
Energy: 0.5800454146904732
Energy: 0.5964276937991343
Energy: 0.5838389987805394
Energy: 0.5911467232753862
Energy: 0.614368649759085
Energy: 0.5834402602183438
Energy: 0.6328322204099801
Energy: 0.6365168472748126
Energy: 0.5844300181901365
Energy: 0.6329351275265358
Energy: 0.6376283563950801
Energy: 0.574598544770709
Energy: 0.6300095209512124
Energy: 0.6106189941557771
Energy: 0.5377042314087608
Energy: 0.6337877436962548
Energy: 0.5345121038565092
Energy: 0.5828342953921728
Energy: 0.6372792441332849
Energy: 0.6404712958705072
Energy: 0.5835107866722414
Energy: 0.6357088190399001
Energy: 0.58367082741356
Energy: 0.584560837439785
Energy: 0.5421862796620736
Energy: 0.5428943221943852
Energy: 0.584385024411391
Energy: 0.5463117056150386
Energy: 0.5674833485765939
Energy: 0.6120108868590777
Energy: 0.5432125344960067
Energy: 0.579686060202002
Energy: 0.5868794352771541
Energy: 0.5435137053416903
Energy: 0.5907511948418387
Energy: 0.6146756132076924
Energy: 0.5451398862556818
Energy: 0.5417332675517659
Energy: 0.6120354179447047
Energy: 0.5431390308667753
Energy: 0.5445920936100782
Energy: 0.5768563691930078
Energy: 0.5438505585593288
Energy: 0.5509314929396977
Energy: 0.5456084576843089
Energy: 0.5786147107729493
Energy: 0.5439330094675129
Energy: 0.5429746053969334
Energy: 0.5423794903173569
Energy: 0.5433681409258478
Energy: 0.543068451648588
Energy: 0.5543620447215034
Energy: 0.542405278045553
Energy: 0.5438331777922594
Energy: 0.5885040435069112
Energy: 0.5656273287142246
Energy: 0.5440171537864157
Energy: 0.5871169264007697
Energy: 0.5422570899117475
Energy: 0.526061528101758
Energy: 0.5922246398027025
Energy: 0.5439302908697995
Energy: 0.5293414920119952
Energy: 0.6181338225140968
Energy: 0.5272521796052893
Energy: 0.5733462100291318
Energy: 0.5830492690868992
Energy: 0.587979075433065
Energy: 0.577315788448231
Energy: 0.5834006429910382
Energy: 0.5683978347996665
Energy: 0.5853033999934042
Energy: 0.5879210825054889
Energy: 0.6070632960720623
Energy: 0.5854828723205058
Energy: 0.5498651981136187
Energy: 0.5844314560064794
Energy: 0.6466052659426512
Energy: 0.5477822448555143
Energy: 0.5690001715402048
Energy: 0.6304643728626049
Energy: 0.5531195730008894
Energy: 0.5506143977142185
Energy: 0.6518463797487022
Energy: 0.6376914566775118
Energy: 0.5844085600269695
Energy: 0.6335384146138626
Energy: 0.6374349332665284
Energy: 0.619675366097099
Energy: 0.6169216168946504
Energy: 0.631323710061676
Energy: 0.6432706938262973
Energy: 0.545515314115484
Energy: 0.6324087110482502
Energy: 0.5402854074486104
Energy: 0.6044548368558834
Energy: 0.6366724491652872
Energy: 0.6368092737142081
Energy: 0.6083110829461662
Energy: 0.6328069927900826
Energy: 0.6384422605466119
Energy: 0.6489777924732063
Energy: 0.5926062163735132
Energy: 0.6026877053696303
Energy: 0.6326861910222364
Energy: 0.587752016765166
Energy: 0.6169801724531547
Energy: 0.6318240938270363
Energy: 0.5787344812457744
Energy: 0.5786310378102985
Energy: 0.6309674638357726
Energy: 0.5747043142894993
Energy: 0.6128426092720596
Energy: 0.5836670498042899
Energy: 0.6322419519218065
Energy: 0.6364455889858064
Energy: 0.5841873556007008
Energy: 0.6324413661636425
Energy: 0.6398815513075289
Energy: 0.5766342004846883
Energy: 0.5544685432451445
Energy: 0.6115099315319058
Energy: 0.5321084064739322
Energy: 0.632366061098735
Energy: 0.5335317226213168
Energy: 0.5826217443334842
Energy: 0.586725793896573
Energy: 0.5872598630235549
Energy: 0.5838617152238972
Energy: 0.6346979284389344
Energy: 0.5825339835914362
Energy: 0.585341934373365
Energy: 0.5424916509845265
Energy: 0.541979281392311
Energy: 0.5836654424903747
Energy: 0.5456152871723712
Energy: 0.5680229272909388
Energy: 0.612132639251649
Energy: 0.5432044194315184
Energy: 0.5427317781140367
Energy: 0.5889095292932666
Energy: 0.5783604676932244
Energy: 0.5901404004780391
Energy: 0.6123805427342736
Energy: 0.5454069308089048
Energy: 0.5423812699517446
Energy: 0.5888203016110692
Energy: 0.5434916454746328
Energy: 0.5436890837947763
Energy: 0.5761198542340138
Energy: 0.5682212658820844
Energy: 0.5428063640659122
Energy: 0.5464488475995297
Energy: 0.5779458192259982
Energy: 0.5442434250023676
Energy: 0.5426434947507522
Energy: 0.5416968387834739
Energy: 0.5431853697136992
Energy: 0.5426762069984851
Energy: 0.5487443908673397
Energy: 0.5414461406578425
Energy: 0.5448808616248466
Energy: 0.5880878817064936
Energy: 0.568975602944877
Energy: 0.5447002893603166
Energy: 0.5883502896356267
Energy: 0.5418858159267844
Energy: 0.5243981181046979
Energy: 0.5852188143564059
Energy: 0.5439101400288381
Energy: 0.5289960775435325
Energy: 0.6141807812672313
Energy: 0.52808019923558
Energy: 0.5254183696886605
Energy: 0.583280848964367
Energy: 0.5883855504784785
Energy: 0.5732173565822712
Energy: 0.583896428798772
Energy: 0.5733195340361846
Energy: 0.5849410762141717
Energy: 0.6112858151748247
Energy: 0.5865323165216653
Energy: 0.5844534397046873
Energy: 0.5504205944137504
Energy: 0.5853219967222811
Energy: 0.6476964428633717
Energy: 0.5481506662278812
Energy: 0.5702057333528606
Energy: 0.6298718852701556
Energy: 0.523920142236344
Energy: 0.5507125956423873
Energy: 0.6535213425511669
Energy: 0.6377482285009783
Energy: 0.6201394327935533
Energy: 0.6334875049523859
Energy: 0.6387285493817447
Energy: 0.6359466615883461
Energy: 0.5375560027768287
Energy: 0.6318426994341176
Energy: 0.647325577392261
Energy: 0.543737572678218
Energy: 0.6314963470750659
Energy: 0.5408706689208387

minimum gb energy = 0.523920142236344 eV
minimum distance =  2.35942121257319 Angstroms
sigma value = 41


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

Energy: 0.8597439415729717
Energy: 0.7065220106906804
Energy: 0.6666844054334822
Energy: 0.6585743287434962
Energy: 0.7085540045454882
Energy: 0.6655423482798893
Energy: 0.7438527087988955
Energy: 0.6965602693276062
Energy: 0.660403492238184
Energy: 0.7017422520949832
Energy: 0.7072169307098842
Energy: 0.6604699262607786
Energy: 0.743349385274332
Energy: 0.6533337657828743
Energy: 0.6517012211777684
Energy: 0.6689297610810169
Energy: 0.6498005318900761
Energy: 0.651433219335636
Energy: 0.7096480323575581
Energy: 0.6533392723885998
Energy: 0.6514759561465624
Energy: 0.7103865434245751
Energy: 0.6500809215094865
Energy: 0.65854954148281
Energy: 0.6677430065115716
Energy: 0.6567484552308054
Energy: 0.6597699414582467
Energy: 0.6585016676645464
Energy: 0.698349245117436
Energy: 0.6592620114273716
Energy: 0.6816152891235358
Energy: 0.6600274415227457
Energy: 0.6586175967028005
Energy: 0.648819329848829
Energy: 0.6569025395183747
Energy: 0.6584166810742331
Energy: 0.6664858043962614
Energy: 0.7149467752001722
Energy: 0.6590120558228646
Energy: 0.657881883709286
Energy: 0.6986195269690324
Energy: 0.6569378688807388
Energy: 0.6714077153601054
Energy: 0.6572809032741468
Energy: 0.6595784883294845
Energy: 0.6719619554802406
Energy: 0.6553907008294271
Energy: 0.6613140891022213
Energy: 0.7029173741520486
Energy: 0.6607045446121145
Energy: 0.6599399287422935
Energy: 0.6543970302553568
Energy: 0.6692749164632209
Energy: 0.6595791896700841
Energy: 0.6912283336669001
Energy: 0.6557853061880994
Energy: 0.6579689457825899
Energy: 0.6554980804598339
Energy: 0.6666923142989278
Energy: 0.6571762115115919
Energy: 0.7161270437501714
Energy: 0.6711153416159461
Energy: 0.6712856844838441
Energy: 0.7023528904011376
Energy: 0.6413372467344308
Energy: 0.698985385275214
Energy: 0.7431672986111075
Energy: 0.6551520949728353
Energy: 0.6536863097629794
Energy: 0.6687088885998904
Energy: 0.6479829011699457
Energy: 0.6540843055481681
Energy: 0.7496760708012123
Energy: 0.6991426855491106
Energy: 0.6699410874486208
Energy: 0.7092852919606978
Energy: 0.7001663782193017
Energy: 0.6604875144565964
Energy: 0.6764695575491142
Energy: 0.6745197667357445
Energy: 0.6544718017148622
Energy: 0.6423549378059985
Energy: 0.6693823889964207
Energy: 0.6561932716269383

minimum gb energy = 0.6413372467344308 eV
minimum distance =  2.38550740586584 Angstroms
sigma value = 11


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

Energy: 0.7802170201653518
Energy: 0.7974681648084398
Energy: 0.820768820328346
Energy: 0.8079626292415248
Energy: 0.7904373043831205
Energy: 0.8012088673988444
Energy: 0.8598395480401222
Energy: 0.7665015156326395
Energy: 0.7513335901016379
Energy: 0.7395014003729716
Energy: 0.7688380130014436
Energy: 0.744592267512452
Energy: 0.8642560071649141
Energy: 0.7354457704918812
Energy: 0.7352666467676726
Energy: 0.7459098133352866
Energy: 0.7355732548712081
Energy: 0.7391472553848485
Energy: 0.7750892816449182
Energy: 0.736175970358858
Energy: 0.7395937085890302
Energy: 0.7500546032094574
Energy: 0.7350185422985137
Energy: 0.7389050698662443
Energy: 0.781524332055571
Energy: 0.7494121885408047
Energy: 0.7448767973582735
Energy: 0.7449006014061842
Energy: 0.7635869919093776
Energy: 0.7437946357592198
Energy: 0.7778710241024125
Energy: 0.7412877029184677
Energy: 0.7413448367700447
Energy: 0.7441504907433831
Energy: 0.7871232838712492
Energy: 0.7419419869915576
Energy: 0.779110721802168
Energy: 0.7410849970133219
Energy: 0.7409371514389079
Energy: 0.783099865585777
Energy: 0.7393264350952607
Energy: 0.7411570092428604
Energy: 0.7750330824279128
Energy: 0.743744334025469
Energy: 0.7435375180152823
Energy: 0.7630855943391155
Energy: 0.741700691082473
Energy: 0.7450688686153718
Energy: 0.791431058728796
Energy: 0.739817751280461
Energy: 0.739577893820764
Energy: 0.7301324347225253
Energy: 0.749524630401494
Energy: 0.7413517822662276
Energy: 0.7977043260344899
Energy: 0.73991590222297
Energy: 0.7395316604528333
Energy: 0.7308497305337599
Energy: 0.7411406368577582
Energy: 0.7413627764584382
Energy: 0.7834391399486206
Energy: 0.7485806915999674
Energy: 0.7565279911672007
Energy: 0.7678058013957811
Energy: 0.7431852745446014
Energy: 0.7502728671503155
Energy: 0.7706756992105507
Energy: 0.7361899014541085
Energy: 0.736301399348622
Energy: 0.7704128993733936
Energy: 0.7373653913409128
Energy: 0.736644168723707
Energy: 0.7707461564713148
Energy: 0.7388457319010733
Energy: 0.738971597886363
Energy: 0.770509548738635
Energy: 0.7396221107821968
Energy: 0.7387503081352089
Energy: 0.7654387321933506
Energy: 0.7409346581868925
Energy: 0.7390743752433204
Energy: 0.7351760160814749
Energy: 0.7458608339185518
Energy: 0.7385875439702645
Energy: 0.7632915536027158
Energy: 0.7405717309733025
Energy: 0.7392638071823576
Energy: 0.7541439030113211
Energy: 0.7392983501827132
Energy: 0.7385402822701116
Energy: 0.7628005203177399
Energy: 0.7421270058352849
Energy: 0.7385542775654387
Energy: 0.7627830884007628
Energy: 0.7385953208764422
Energy: 0.7392074943356431
Energy: 0.7624436654588719
Energy: 0.7406444465067753
Energy: 0.7398357757125693
Energy: 0.7604080998516196
Energy: 0.7397075717666237
Energy: 0.7389360575995507
Energy: 0.7815991483956607
Energy: 0.7900921918508057
Energy: 0.7908697868165732
Energy: 0.7504394211116255
Energy: 0.8004266047856632
Energy: 0.7585545681248973
Energy: 0.7692799162719334
Energy: 0.7398639771070109
Energy: 0.7403469556810122
Energy: 0.7697437862391049
Energy: 0.7534327131371522
Energy: 0.7384116446687523
Energy: 0.7614903639103577
Energy: 0.737574658988069
Energy: 0.737362475674238
Energy: 0.7544508252969512
Energy: 0.7378117644858496
Energy: 0.7338543299878415
Energy: 0.8073836457257659
Energy: 0.7384370485162898
Energy: 0.7333316421347484
Energy: 0.753032455342436
Energy: 0.737541113310331
Energy: 0.7394200063316273
Energy: 0.803237815880011
Energy: 0.7555987958358393
Energy: 0.7429607497700094
Energy: 0.7476622643704337
Energy: 0.7603900991937076
Energy: 0.7380095150126241
Energy: 0.779868268526849
Energy: 0.7565624326621077
Energy: 0.740446293365601
Energy: 0.7326587455610092
Energy: 0.7527244859196032
Energy: 0.7400908757567464
Energy: 0.806282209393191
Energy: 0.7458320806320616
Energy: 0.7391492708078685
Energy: 0.7532857373987079
Energy: 0.7690383489103717
Energy: 0.7385771963949117
Energy: 0.786274977680695
Energy: 0.7386922864430304
Energy: 0.7388585095001194
Energy: 0.7904287296043842
Energy: 0.7399747266309205
Energy: 0.740491428352427
Energy: 0.7900737186356929
Energy: 0.7407151366346196
Energy: 0.7398678448922735
Energy: 0.7401683365978422
Energy: 0.7382765216529574
Energy: 0.7393432181371252
Energy: 0.787760185963119
Energy: 0.7635933161738311
Energy: 0.7404025175306507
Energy: 0.7388954776726526
Energy: 0.7629573396433045
Energy: 0.73823398051103
Energy: 0.7875083176777755
Energy: 0.7410320023971871
Energy: 0.7394767285571937
Energy: 0.7389749729217452
Energy: 0.7412017347586954
Energy: 0.7389484953355578
Energy: 0.860695772764717
Energy: 0.7329160807747024
Energy: 0.7326412963210567
Energy: 0.7955247740450044
Energy: 0.7373149984640265
Energy: 0.7333046680351311
Energy: 0.8578654733736316
Energy: 0.7584720806103862
Energy: 0.7393055115803824
Energy: 0.7396208425146369
Energy: 0.7724119049795231
Energy: 0.7388007638788582
Energy: 0.7927654657873748
Energy: 0.7680932546668859
Energy: 0.7384579636697525
Energy: 0.7350817914857825
Energy: 0.7687119933180242
Energy: 0.7382262398832486

minimum gb energy = 0.7301324347225253 eV
minimum distance =  2.3817169523023 Angstroms
sigma value = 57


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

Energy: 1.027444442327
Energy: 0.7927196953655125
Energy: 0.7961467335714164
Energy: 0.7948015977216578
Energy: 0.7714760064710025
Energy: 0.7970204306851055
Energy: 0.8362916012423428
Energy: 0.7798262465376957
Energy: 0.7756267103101715
Energy: 0.7710256270415702
Energy: 0.7736908192363166
Energy: 0.7750143116443942
Energy: 0.8409457939852844
Energy: 0.7651184481856004
Energy: 0.7689563140586669
Energy: 0.7763263915065266
Energy: 0.7652868892219858
Energy: 0.7823042307492172
Energy: 0.7699510636948058
Energy: 0.7738531802299891
Energy: 0.7728697544358984
Energy: 0.7712505139517329
Energy: 0.7648492165534181
Energy: 0.7742006560140788
Energy: 0.8106751758897646
Energy: 0.7781480254197976
Energy: 0.7743747880505669
Energy: 0.7727220380261172
Energy: 0.7739634109529387
Energy: 0.773328908269656
Energy: 0.7693895090868258
Energy: 0.7927900655978333
Energy: 0.7734906060590155
Energy: 0.7702889083001123
Energy: 0.7881234429080769
Energy: 0.7741339828103231
Energy: 0.7884680279865186
Energy: 0.7561755334975779
Energy: 0.7673737432910348
Energy: 0.7888769348935234
Energy: 0.7530152880263298
Energy: 0.7910738362430074
Energy: 0.836938821658489
Energy: 0.7737006399371946
Energy: 0.7736763605822334
Energy: 0.7727511112475941
Energy: 0.7704757513262741
Energy: 0.7747275343391551
Energy: 0.84837137656671
Energy: 0.7791142680182441
Energy: 0.767269944558572
Energy: 0.7680418869153373
Energy: 0.7745626267511565
Energy: 0.7669546107643685
Energy: 0.8476229344671958
Energy: 0.7796812145381937
Energy: 0.7671384286435899
Energy: 0.7681315856203542
Energy: 0.7764343273307436
Energy: 0.7668660272766579
Energy: 0.8384949242355474
Energy: 0.7759956921745917
Energy: 0.7766446404556497
Energy: 0.7722118417021979
Energy: 0.7698024660572527
Energy: 0.7828650948724818
Energy: 0.7731059253581545
Energy: 0.764251303473712
Energy: 0.765027994415292
Energy: 0.7735373493290975
Energy: 0.7638593526866819
Energy: 0.7820720131885811
Energy: 0.7714482313060206
Energy: 0.7817331869633336
Energy: 0.7735884483038726
Energy: 0.7725386308617739
Energy: 0.7709540147459444
Energy: 0.7732641593841258
Energy: 0.7695060747878424
Energy: 0.7740725135902574
Energy: 0.7735038999852589
Energy: 0.7701745842437993
Energy: 0.7790895844085972
Energy: 0.7729990074068327
Energy: 0.7877709354263374
Energy: 0.7615967700229539
Energy: 0.7738392136303243
Energy: 0.7725071096174765
Energy: 0.7547286064346256
Energy: 0.7739814525403889
Energy: 0.8374849475857037
Energy: 0.7631121081171502
Energy: 0.7668865136215677
Energy: 0.7756890194547827
Energy: 0.7552189385149938
Energy: 0.773117525687303
Energy: 0.8128967760972337
Energy: 0.7768427972222941
Energy: 0.7749792919949692
Energy: 0.784751297783282
Energy: 0.7718018841216882
Energy: 0.7740807896342704

minimum gb energy = 0.7530152880263298 eV
minimum distance =  2.38725926634749 Angstroms
sigma value = 9


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

Energy: 0.8863767377897406
Energy: 0.81961080773935
Energy: 0.7914573877070444
Energy: 0.8421267706554251
Energy: 0.8695509513345938
Energy: 0.8433408203064559
Energy: 0.9100919624434407
Energy: 0.814462935886461
Energy: 0.8134221712514247
Energy: 0.8005812652371624
Energy: 0.822872802854891
Energy: 0.8122526023453215
Energy: 0.844016781108681
Energy: 0.8054435097191267
Energy: 0.8061963116632715
Energy: 0.8142443746099784
Energy: 0.801023825468387
Energy: 0.8042927634943149
Energy: 0.8081055893481094
Energy: 0.8043052284720761
Energy: 0.7958182749895908
Energy: 0.809325174822286
Energy: 0.806012434193432
Energy: 0.7958575390040542
Energy: 0.7939854316437621
Energy: 0.8140462198244769
Energy: 0.8198738046840226
Energy: 0.7947389497158655
Energy: 0.8243714994024012
Energy: 0.8204586941717201
Energy: 0.7916534112907534
Energy: 0.7956064235746434
Energy: 0.7933404696738835
Energy: 0.7925677780989193
Energy: 0.7953453989534507
Energy: 0.7928822901425352
Energy: 0.803968426200846
Energy: 0.7925674820520716
Energy: 0.7908445655740651
Energy: 0.8035689216524844
Energy: 0.7934002313211405
Energy: 0.8175665952928598
Energy: 0.8564423092693055
Energy: 0.7964891936739701
Energy: 0.7972601504693023
Energy: 0.7999536885476358
Energy: 0.7999139077020317
Energy: 0.7978212236694461
Energy: 0.8425478041659701
Energy: 0.8114713811647434
Energy: 0.8055880124421874
Energy: 0.8006510193505005
Energy: 0.8035715608773658
Energy: 0.7984062631024824
Energy: 0.8438150905798931
Energy: 0.8108203277511065
Energy: 0.8052593971057043
Energy: 0.800072764454917
Energy: 0.8042033239890424
Energy: 0.8018396341743869
Energy: 0.852104473285346
Energy: 0.802450714414192
Energy: 0.8006375907727555
Energy: 0.8103448963543975
Energy: 0.8086607762268252
Energy: 0.7997404365076342
Energy: 0.8463936390198957
Energy: 0.8093621417446176
Energy: 0.8164190865980191
Energy: 0.8303645285861961
Energy: 0.7943221370427336
Energy: 0.8170152828626169
Energy: 0.8416145681993427
Energy: 0.8069894878774987
Energy: 0.8036126162392879
Energy: 0.7941740451151872
Energy: 0.8085796753789243
Energy: 0.7916191650837164
Energy: 0.845077397848891
Energy: 0.7986559484428234
Energy: 0.7975556479987249
Energy: 0.7980677469044698
Energy: 0.7957181207164407
Energy: 0.7953783535365553
Energy: 0.8374875336310599
Energy: 0.7915436199501422
Energy: 0.7968204762534706
Energy: 0.8231883130754357
Energy: 0.7920024174178639
Energy: 0.8188680878189819
Energy: 0.8225504949518097
Energy: 0.7892547301081501
Energy: 0.8044294690707156
Energy: 0.8238574572298768
Energy: 0.8002475316791697
Energy: 0.8017413676983889
Energy: 0.823753945387762
Energy: 0.8072577626054426
Energy: 0.7999072493280184
Energy: 0.8253889067593865
Energy: 0.8070204901749636
Energy: 0.8010565245447325
Energy: 0.8218268871411748
Energy: 0.8105999100460091
Energy: 0.8149235546841235
Energy: 0.7998276576413919
Energy: 0.827072437987028
Energy: 0.8183718025783159
Energy: 0.8259060643001985
Energy: 0.8079061980582702
Energy: 0.8018953545454033
Energy: 0.8262630759059215
Energy: 0.8071248315937346
Energy: 0.8048193731561077
Energy: 0.840333624655791
Energy: 0.8085670450975365
Energy: 0.8003837529247773
Energy: 0.809356024869859
Energy: 0.8042106296836281
Energy: 0.8042779176143193
Energy: 0.8552910797403912
Energy: 0.8154747394344112
Energy: 0.817491722838894
Energy: 0.8004724613898893
Energy: 0.8240819214711829
Energy: 0.8192953850570343

minimum gb energy = 0.7892547301081501 eV
minimum distance =  2.33321444931 Angstroms
sigma value = 27


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

Energy: 0.9137903442343206
Energy: 0.8390714338031735
Energy: 0.79227824644422
Energy: 0.7925570043281596
Energy: 0.8035581634554962
Energy: 0.7976269421030876
Energy: 0.9022997205900205
Energy: 0.7994444729092233
Energy: 0.7815098539773011
Energy: 0.7813007740202271
Energy: 0.7983056970398359
Energy: 0.7818044544450928
Energy: 0.8092171711808779
Energy: 0.7975818235551894
Energy: 0.7925977215447945
Energy: 0.799040973385138
Energy: 0.7727459155349717
Energy: 0.7930533030778765
Energy: 0.8249258869298872
Energy: 0.8024526298839861
Energy: 0.8017287329067363
Energy: 0.8238300441933794
Energy: 0.803863884787707
Energy: 0.7974906223267152
Energy: 0.7719978072257144
Energy: 0.7978947580171121
Energy: 0.7989035669989815
Energy: 0.773016178291465
Energy: 0.8222923746082619
Energy: 0.7989714793283007
Energy: 0.7987670687296403
Energy: 0.7935249528964096
Energy: 0.7916178021197675
Energy: 0.7853701526562611
Energy: 0.7967632949822213
Energy: 0.7915592421145419
Energy: 0.829095954968919
Energy: 0.7651882170820457
Energy: 0.7759419943005069
Energy: 0.7970163035459535
Energy: 0.7517612674612076
Energy: 0.7735769400761054
Energy: 0.8340942935604077
Energy: 0.7661770322778815
Energy: 0.7932151893924131
Energy: 0.795065108582825
Energy: 0.7532003853139094
Energy: 0.7935800802560943
Energy: 0.8960297561781578
Energy: 0.7808607122311833
Energy: 0.7839059299323774
Energy: 0.7814205158607656
Energy: 0.8101154144071685
Energy: 0.7830809836504341
Energy: 0.8963232885447705
Energy: 0.7837978450639597
Energy: 0.7827805251520282
Energy: 0.7814519878765626
Energy: 0.786503717702651
Energy: 0.7832685052741093
Energy: 0.8343654289870245
Energy: 0.784822546158978
Energy: 0.7982851271350124
Energy: 0.8038440364878272
Energy: 0.7731550897062685
Energy: 0.7976304671651525
Energy: 0.8151256129181541
Energy: 0.796705161265333
Energy: 0.7947339668520215
Energy: 0.7975984909063144
Energy: 0.7760207908198683
Energy: 0.7930231583658452
Energy: 0.7521858088824703
Energy: 0.8106155968159205
Energy: 0.7687427586980196
Energy: 0.753081796088503
Energy: 0.8171952926659516
Energy: 0.7693830317816989
Energy: 0.751673214558781
Energy: 0.8086876192769978
Energy: 0.8106616421748978
Energy: 0.7538918646853451
Energy: 0.8081981116560669
Energy: 0.7630163138281277
Energy: 0.8157352918097968
Energy: 0.7840389504815323
Energy: 0.7826374020923496
Energy: 0.7954631993847447
Energy: 0.7814930092591494
Energy: 0.782131793480312
Energy: 0.8241985873062191
Energy: 0.783791449179636
Energy: 0.7828472934042333
Energy: 0.7814121898962958
Energy: 0.7853642415445694
Energy: 0.7806628872056968
Energy: 0.7720324111876307
Energy: 0.7910779462410163
Energy: 0.7859341447791818
Energy: 0.7738159541896118
Energy: 0.7916430180268146
Energy: 0.7857315278405995
Energy: 0.8080821531517595
Energy: 0.8018558014471886
Energy: 0.7984724946909315
Energy: 0.7934583470721223
Energy: 0.8047549355058026
Energy: 0.7817711717719094
Energy: 0.827371633218097
Energy: 0.7663470738862919
Energy: 0.7657352866354926
Energy: 0.8265848760193925
Energy: 0.7520502560892763
Energy: 0.7653674671428825
Energy: 0.8360471559709876
Energy: 0.7660045553076712
Energy: 0.7653408624444957
Energy: 0.7943504514353648
Energy: 0.7521422942078543
Energy: 0.7651659744664854
Energy: 0.8775300624367566
Energy: 0.8002025912768261
Energy: 0.798650229871521
Energy: 0.7904040529710554
Energy: 0.8020927731471532
Energy: 0.7989121846115285
Energy: 0.7783966402665707
Energy: 0.7928492300063839
Energy: 0.7962229317931316
Energy: 0.7807237050656365
Energy: 0.8178738588250021
Energy: 0.7824549914173771
Energy: 0.8789403447763612
Energy: 0.8004768693639344
Energy: 0.7918097350004615
Energy: 0.8100574869207667
Energy: 0.7927819374535353
Energy: 0.791431630269997
Energy: 0.8388745622884063
Energy: 0.8047730129715512
Energy: 0.8034914809640271
Energy: 0.8004290907333717
Energy: 0.7932755692210393
Energy: 0.8018965992960888
Energy: 0.7943495835642845
Energy: 0.8229569406302655
Energy: 0.7956834724110298
Energy: 0.7786435338768706
Energy: 0.8266359777447384
Energy: 0.7795894180022473

minimum gb energy = 0.751673214558781 eV
minimum distance =  2.35546811772961 Angstroms
sigma value = 19


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

Energy: 0.8048667886917961
Energy: 0.7515037154659426
Energy: 0.7905297528737588
Energy: 0.7914958935893789
Energy: 0.7784229975582432
Energy: 0.7747245378132208
Energy: 0.7981824522226073
Energy: 0.767556055354563
Energy: 0.773616482121181
Energy: 0.7673116479249912
Energy: 0.7785698916044413
Energy: 0.7730723731695317
Energy: 0.796395871865681
Energy: 0.7709782357053013
Energy: 0.7676623827215829
Energy: 0.7612141995455556
Energy: 0.7691798794990058
Energy: 0.7729940689291562
Energy: 0.7940448952366101
Energy: 0.7717654345593244
Energy: 0.7704207569736639
Energy: 0.7895644601074817
Energy: 0.7677496479009389
Energy: 0.7704848978213792
Energy: 0.7798646826419294
Energy: 0.7764807130803086
Energy: 0.7795586557286024
Energy: 0.7758424840918062
Energy: 0.7656511374026549
Energy: 0.7796911959841608
Energy: 0.7774974625059943
Energy: 0.7708832936811675
Energy: 0.7702520353436959
Energy: 0.7693045136098131
Energy: 0.7685136857253392
Energy: 0.7734380805962849
Energy: 0.7791179665131518
Energy: 0.7561287263258932
Energy: 0.7560157102861437
Energy: 0.7658474036892947
Energy: 0.7623576664173515
Energy: 0.7614935744185519
Energy: 0.7858733391919396
Energy: 0.7577260947022111
Energy: 0.7711033448020435
Energy: 0.7817636816708405
Energy: 0.7604179514780129
Energy: 0.7718195752683796
Energy: 0.7657469183972327
Energy: 0.7726108081018237
Energy: 0.7684518000143093
Energy: 0.766207795248838
Energy: 0.779531608451123
Energy: 0.7682730512223404
Energy: 0.7670985048654045
Energy: 0.7623444697649784
Energy: 0.7599310624493714
Energy: 0.7676019732569125
Energy: 0.7611477040674358
Energy: 0.7596890220884372
Energy: 0.796628333059337
Energy: 0.7645930171614879
Energy: 0.7629806903659128
Energy: 0.79720648747715
Energy: 0.7568615685816311
Energy: 0.762774522360522
Energy: 0.8020347939231335
Energy: 0.75941275316534
Energy: 0.7652212144502358
Energy: 0.7625748905701853
Energy: 0.7530606669999802
Energy: 0.7633135132953253
Energy: 0.789999542190398
Energy: 0.756909101333401
Energy: 0.7513566591561238
Energy: 0.7603473305707642
Energy: 0.7621396746027014
Energy: 0.7524043431189609
Energy: 0.8064066710234652
Energy: 0.7624586390468
Energy: 0.7621021246935571
Energy: 0.7513046556475964
Energy: 0.765164599630466
Energy: 0.7624936010067904
Energy: 0.8058134326229647
Energy: 0.7578927393273401
Energy: 0.7602424165123254
Energy: 0.7738265662511785
Energy: 0.7517609529630539
Energy: 0.7602593643492335
Energy: 0.8105660873488673
Energy: 0.7595990551057276
Energy: 0.7567387600429694
Energy: 0.751041406424387
Energy: 0.751785799052183
Energy: 0.7523214375384878
Energy: 0.7749556573109619
Energy: 0.7610496655962479
Energy: 0.7688551365381706
Energy: 0.7502823159951701
Energy: 0.773879181985565
Energy: 0.7690292558987152
Energy: 0.7916272320991281
Energy: 0.7500994225399465
Energy: 0.7498317722016246
Energy: 0.7470391243156785
Energy: 0.7501513652175474
Energy: 0.7585082714656556
Energy: 0.8082960758688987
Energy: 0.7576031670833615
Energy: 0.759705220680794
Energy: 0.768225004708812
Energy: 0.7685933425997084
Energy: 0.7636268989813876
Energy: 0.771572156906124
Energy: 0.7588902291593937
Energy: 0.7603038004772119
Energy: 0.7542207279657662
Energy: 0.75214442158352
Energy: 0.763375068227896
Energy: 0.7499778117739444
Energy: 0.7630370337411699
Energy: 0.7619846567239046
Energy: 0.7514719252002531
Energy: 0.7523531907614157
Energy: 0.7611794239252971
Energy: 0.7476058421564542
Energy: 0.7679354949743352
Energy: 0.7653305281697286
Energy: 0.749342756291416
Energy: 0.7652917262173611
Energy: 0.7640782490359467
Energy: 0.7616712546779377
Energy: 0.7543367429999814
Energy: 0.7539022814458168
Energy: 0.7634465316949289
Energy: 0.7791552263307572
Energy: 0.7526293615032528
Energy: 0.7853318969213912
Energy: 0.753726511995075
Energy: 0.7497719606103367
Energy: 0.7808411775002998
Energy: 0.7445332211197287
Energy: 0.7594296399147584
Energy: 0.7874266491692697
Energy: 0.7666718890086804
Energy: 0.7654045756144494
Energy: 0.7545825357085814
Energy: 0.773505038217844
Energy: 0.764595570561218
Energy: 0.7761814130689279
Energy: 0.7698325247268418
Energy: 0.7639473299625634
Energy: 0.7633626306373635
Energy: 0.7681053569947984
Energy: 0.7633310579723812
Energy: 0.8011380495319611
Energy: 0.7729469700329983
Energy: 0.760351246635281
Energy: 0.7605763408472948
Energy: 0.7671988783791209
Energy: 0.7603397815655801
Energy: 0.7985130777999397
Energy: 0.7677805825910341
Energy: 0.7676668347358659
Energy: 0.7769108120914525
Energy: 0.7668436713436965
Energy: 0.7703154631183019
Energy: 0.7884854963466621
Energy: 0.7918045583264901
Energy: 0.7909670113573279
Energy: 0.7433056536548587
Energy: 0.7915742461664155
Energy: 0.7564908432858688

minimum gb energy = 0.7433056536548587 eV
minimum distance =  2.34309135112122 Angstroms
sigma value = 101


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

Energy: 0.7592887071266233
Energy: 0.730303493560377
Energy: 0.7522175202998932
Energy: 0.7272438131899971
Energy: 0.72946670392711
Energy: 0.7478342267738806
Energy: 0.7728815798113345
Energy: 0.7290541416847518
Energy: 0.7293645931450639
Energy: 0.7260764387010964
Energy: 0.7244792982783719
Energy: 0.728128867295971
Energy: 0.7699429320780061
Energy: 0.7318639649542836
Energy: 0.7309938785157034
Energy: 0.7635019301497656
Energy: 0.7248579987180848
Energy: 0.7465567229945861
Energy: 0.7587067762333478
Energy: 0.7284349623316361
Energy: 0.727152831979204
Energy: 0.7359054627481876
Energy: 0.725248575408722
Energy: 0.7271604101497212
Energy: 0.7462447554913316
Energy: 0.7531754055484594
Energy: 0.7535770077675658
Energy: 0.7573017519937115
Energy: 0.7655708218658223
Energy: 0.752983806585656
Energy: 0.7429141077862974
Energy: 0.7291903306999128
Energy: 0.7279503795780898
Energy: 0.7414197737467992
Energy: 0.7283793756419432
Energy: 0.728033538379264
Energy: 0.7641769862315937
Energy: 0.724947205967018
Energy: 0.7235251582272009
Energy: 0.7507210006248514
Energy: 0.7206301497722037
Energy: 0.7385321931490955
Energy: 0.730006897055846
Energy: 0.7282760298138298
Energy: 0.7279992080126988
Energy: 0.7397482703740578
Energy: 0.7295212798131785
Energy: 0.72587268796752
Energy: 0.7237700557121748
Energy: 0.7290318112008742
Energy: 0.7285769661389764
Energy: 0.7248909137816888
Energy: 0.7499072981415733
Energy: 0.7305396934042931
Energy: 0.7280906075669827
Energy: 0.7281900205767664
Energy: 0.727161445582192
Energy: 0.7258615850742579
Energy: 0.7268265627680763
Energy: 0.7282541642240564
Energy: 0.7626700279161971
Energy: 0.7203331901343247
Energy: 0.7359102392583883
Energy: 0.7554448471321773
Energy: 0.7073636594475318
Energy: 0.7348156908834954
Energy: 0.7717463805914898
Energy: 0.7254867321491365
Energy: 0.72966995807869
Energy: 0.743968821475914
Energy: 0.7269041733509569
Energy: 0.7296156976991872
Energy: 0.7418124739529163
Energy: 0.7417705973310287
Energy: 0.7410164739090987
Energy: 0.7237110313246958
Energy: 0.7408773146182932
Energy: 0.7266372812692548
Energy: 0.7384774270374785
Energy: 0.7313825872086885
Energy: 0.7307814284331456
Energy: 0.7193085567968217
Energy: 0.7297339545100693
Energy: 0.730589854533752
Energy: 0.7736837089181456
Energy: 0.7367618707182679
Energy: 0.737664264936541
Energy: 0.7651829443635512
Energy: 0.7328789715313501
Energy: 0.7397576817612438
Energy: 0.7695906573389767
Energy: 0.724364928667079
Energy: 0.7284959589726836
Energy: 0.7301181614134307
Energy: 0.7290152557473835
Energy: 0.728551692826023
Energy: 0.7423892241469146
Energy: 0.7483451065603138
Energy: 0.7243333740199471
Energy: 0.7053356139182733
Energy: 0.755850483813734
Energy: 0.7204412154760896
Energy: 0.8072991636873342
Energy: 0.7314737080947843
Energy: 0.730074047789449
Energy: 0.7234271886736766
Energy: 0.729859546401934
Energy: 0.7246167779490513
Energy: 0.7696722272434307
Energy: 0.7300728252282819
Energy: 0.7253038577993854
Energy: 0.7643412872656871
Energy: 0.727163688182995
Energy: 0.7262437560980345
Energy: 0.757752543175409
Energy: 0.7316251966272714
Energy: 0.7278713560063038
Energy: 0.7292077168532625
Energy: 0.7237006824873264
Energy: 0.7284885758260365
Energy: 0.74276888702049
Energy: 0.7289212174320382
Energy: 0.7464360905752943
Energy: 0.7432819891927912
Energy: 0.7288348733872216
Energy: 0.723828925115857
Energy: 0.7401026686195166
Energy: 0.7304382513280334
Energy: 0.7280979922636451
Energy: 0.7308513630691962
Energy: 0.7288726902626194
Energy: 0.7275795729989908
Energy: 0.7468760648740242
Energy: 0.7219109516615011
Energy: 0.7224798198920453
Energy: 0.7398406930018169
Energy: 0.718606803039174
Energy: 0.7239584303149099
Energy: 0.7488434686875042
Energy: 0.7263487761367249
Energy: 0.726628535986177
Energy: 0.7421016997599114
Energy: 0.7174643717777525
Energy: 0.7407385306472193
Energy: 0.7265985308114814
Energy: 0.7321500117614211
Energy: 0.7294257351969707
Energy: 0.7287824412963765
Energy: 0.7275848377785082
Energy: 0.7274460228670832
Energy: 0.7242946885010517
Energy: 0.7328828260452984
Energy: 0.7308878764667154
Energy: 0.7280138919555866
Energy: 0.7374674896515637
Energy: 0.7312557586444804
Energy: 0.7408799191591544
Energy: 0.7209617323815807
Energy: 0.7229873174399509
Energy: 0.7233078673683976
Energy: 0.708387318893671
Energy: 0.7255643108720706
Energy: 0.7701503471666832
Energy: 0.7241690728994263
Energy: 0.7257922726830106
Energy: 0.7495556084677488
Energy: 0.7073366460356839
Energy: 0.7330266476556543
Energy: 0.7395688785623076
Energy: 0.7327996639237303
Energy: 0.7322955972511608
Energy: 0.7255194943303764
Energy: 0.7518506022145377
Energy: 0.7325596775457651
Energy: 0.7401661564407398
Energy: 0.7326304480892525
Energy: 0.7329440344214692
Energy: 0.7267267433989472
Energy: 0.7272142136775743
Energy: 0.7321641394852286
Energy: 0.7699714387344052
Energy: 0.7286844128791745
Energy: 0.7334200658460203
Energy: 0.7303870094904522
Energy: 0.7255861882085447
Energy: 0.7341188431023884
Energy: 0.7708328391017698
Energy: 0.7202962745155171
Energy: 0.7265433263058252
Energy: 0.7409152512891649
Energy: 0.7238808000941586
Energy: 0.7270464520957677
Energy: 0.7374379309882881
Energy: 0.7374193539251465
Energy: 0.7245003106569353
Energy: 0.7047174240699378
Energy: 0.7328155369422907
Energy: 0.723692933483995

minimum gb energy = 0.7047174240699378 eV
minimum distance =  2.35720501908161 Angstroms
sigma value = 33


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

Energy: 0.015447294146032289
Energy: 0.9020194810026082
Energy: 0.016158944936946338
Energy: 0.017161421346753233
Energy: 0.9046208191524292
Energy: 0.01593232163482316
Energy: 0.3780117728521261
Energy: 0.10361524888031344
Energy: 0.10235990746337857
Energy: 0.10436004967716044
Energy: 0.10353228618674146
Energy: 0.10207710863519882
Energy: 1.1903011590127173
Energy: 0.9037894089367555
Energy: 0.9026462761991405
Energy: 0.9020158691391833
Energy: 0.904904958829772
Energy: 0.9023572349479063
Energy: 0.01643932086200659
Energy: 0.10361524888031344
Energy: 0.1023599074642656
Energy: 0.10436004967760398
Energy: 0.10353228618804736
Energy: 0.1020771086343118

minimum gb energy = 0.015447294146032289 eV
minimum distance =  2.52279892910958 Angstroms
sigma value = 1