Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.84364253282547
cohesive_energy=4.0219588042344245
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[4.6098627201765e-19, 5.198230045480319e-19, 5.42730926060964e-19, 5.50669711282434e-19, 5.59858194278424e-19, 5.71711097016756e-19, 5.82444078287922e-19, 5.87856230957574e-19, 5.89315813871148e-19, 5.884954994345399e-19, 5.86975033808874e-19, 5.86265269560012e-19, 5.874669020355119e-19, 5.910830146984499e-19, 5.970110682442499e-19, 6.04674279084672e-19, 6.132154827205259e-19, 6.2167978187794795e-19, 6.29243657767062e-19, 6.35344746389334e-19, 6.39713882070252e-19, 6.4244078670132e-19, 6.43889154378456e-19, 6.443377638359759e-19, 6.4386832608221385e-19, 6.423446561032799e-19, 6.39579299232996e-19, 6.353976182182559e-19, 6.296954715778499e-19, 6.22464848428608e-19, 6.13867568610564e-19, 6.039981605451239e-19, 5.92867839468726e-19, 5.802795376553879e-19, 5.65187033763108e-19, 5.45211095490396e-19, 5.164776597362399e-19, 4.740456137613839e-19, 4.1281362716317194e-19, 3.28890012897618e-19, 2.2230040579086596e-19, 9.555717902269139e-20, -5.48606107777842e-20, -2.4749623553715e-19, -5.29714843086348e-19, -1.015424302743252e-18, -2.00499588332028e-18, -4.44849148960002e-18, -1.1584217716810199e-17, -3.50304705787662e-17, -1.21056461023455e-16, -4.833750883011659e-16]
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: 0.012534897247556026
Energy: 0.37324947946465814
Energy: 0.5493074071220713
Energy: 0.37324947946465814
Energy: 0.3732494794656436
Energy: 0.19775748735662568
Energy: 0.37297359028147
Energy: 0.19775748735465473
Energy: 0.5493074071210857
Energy: 0.37297359027949906
Energy: 0.422853705243434
Energy: 0.3729735903141599
Energy: 0.37324947946662906
Energy: 0.19775748735465473
Energy: 0.37297359031021804
Energy: 0.19775748735662568

minimum gb energy = 0.012534897247556026 eV
minimum distance =  2.39890058856037 Angstroms
sigma value = 1


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

Energy: 0.712676950536619
Energy: 0.5954157221825092
Energy: 0.601156543593033
Energy: 0.595415722159152
Energy: 0.7032938371595671
Energy: 0.4576412013513691
Energy: 0.47054267070488404
Energy: 0.4576412013501397
Energy: 0.6943378974652942
Energy: 0.46765419601173375
Energy: 0.45847443902845414
Energy: 0.46765419601296304
Energy: 0.7236352625290206
Energy: 0.46689075862193397
Energy: 0.47453199328054824
Energy: 0.46689075862193397
Energy: 0.6698197521841683
Energy: 0.5888563918254714
Energy: 0.5910108449256071
Energy: 0.5888563918217834
Energy: 0.6918218186988581
Energy: 0.48118098978741225
Energy: 0.5661041103729265
Energy: 0.48118098978618296
Energy: 0.6495196766455121
Energy: 0.5518225676319904
Energy: 0.538112522545167
Energy: 0.5518225676319904
Energy: 0.6562393935647457
Energy: 0.568697759963761
Energy: 0.5621678461394841
Energy: 0.5686977599625317
Energy: 0.6232833041106572
Energy: 0.6247406850559679
Energy: 0.5619402112932905
Energy: 0.6247406850571972
Energy: 0.6404902594016653
Energy: 0.6316273207687598
Energy: 0.6686724881100244
Energy: 0.6316273207663011
Energy: 0.6521398973316778
Energy: 0.6691160016685839
Energy: 0.626678789972456
Energy: 0.6691160016673545
Energy: 0.5539674640997809
Energy: 0.5511899926438624
Energy: 0.6463632348633589
Energy: 0.5511899926586142
Energy: 0.5757488480429158
Energy: 0.5768828749622504
Energy: 0.6546448733012301
Energy: 0.5768828749597916
Energy: 0.5405223900773141
Energy: 0.48051040123385247
Energy: 0.6825156327302103
Energy: 0.48051040123999905
Energy: 0.6149442772805054
Energy: 0.5669855497258981
Energy: 0.6420686472357937
Energy: 0.5669855497295861
Energy: 0.480759551013881
Energy: 0.4663791284265132
Energy: 0.7099609220063969
Energy: 0.46637912842405455
Energy: 0.46972281290162804
Energy: 0.4677939302371922
Energy: 0.6913457274026669
Energy: 0.46779393023965077
Energy: 0.48325642718209605
Energy: 0.45642501873788754
Energy: 0.7084948651976417
Energy: 0.45642501873788754
Energy: 0.4790080496833755
Energy: 0.4744277123364861
Energy: 0.6708738724086359
Energy: 0.4744277123315687
Energy: 0.5018560989300616
Energy: 0.4646826728176846
Energy: 0.6613299622022247
Energy: 0.4646826728213726
Energy: 0.4878568353817238
Energy: 0.47015628787039637
Energy: 0.6899754674763926
Energy: 0.4701562878605618
Energy: 0.4935380023747847
Energy: 0.5530548026278895
Energy: 0.6892358594659026
Energy: 0.5530548026303482
Energy: 0.5348334978990318
Energy: 0.6581566158125014
Energy: 0.6471483915838171
Energy: 0.6581566158137307
Energy: 0.6134582352091852
Energy: 0.5529543674120527
Energy: 0.6603483678556997
Energy: 0.5529543674194286
Energy: 0.6046805053264672
Energy: 0.677946264338827
Energy: 0.6671996213867982
Energy: 0.6779462643400562
Energy: 0.598138999308699
Energy: 0.5973710088292142
Energy: 0.602356752345639
Energy: 0.5973710088230676
Energy: 0.6050883022389432
Energy: 0.6582832613128419
Energy: 0.5918582203974704
Energy: 0.6582832613079246
Energy: 0.6758682399464366
Energy: 0.590385869159075
Energy: 0.5926939296700101
Energy: 0.5903858691578456
Energy: 0.6737935390803413
Energy: 0.6178169139975789
Energy: 0.6434182682699233
Energy: 0.6178169139975789
Energy: 0.653715727550584
Energy: 0.5125015405125001
Energy: 0.5117330432847895
Energy: 0.5125015405125001
Energy: 0.6766290553980895
Energy: 0.4794038983408144
Energy: 0.49614213579458544
Energy: 0.4794038983408144
Energy: 0.6981650413465841
Energy: 0.4804183382537368
Energy: 0.4880403904746491
Energy: 0.48041833825127817
Energy: 0.6979785508210409
Energy: 0.5187690091161841
Energy: 0.5050977776703206
Energy: 0.5187690091137254

minimum gb energy = 0.45642501873788754 eV
minimum distance =  2.25522755719258 Angstroms
sigma value = 1


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

Energy: 0.8748836945643499
Energy: 0.6022306658175225
Energy: 0.5804993518295392
Energy: 0.6022306658161208
Energy: 0.7066615546494034
Energy: 0.570199941502688
Energy: 0.4890699639854501
Energy: 0.5701999416105831
Energy: 0.667227031862885
Energy: 0.5066972174920781
Energy: 0.4853463616891882
Energy: 0.5066972174906765
Energy: 0.7086993749970592
Energy: 0.4800786013914561
Energy: 0.5003294922146749
Energy: 0.4800786013914561
Energy: 0.7181556787417838
Energy: 0.6115402934758805
Energy: 0.6015093697735862
Energy: 0.6115402934744788
Energy: 0.6635171131402571
Energy: 0.5082486212151515
Energy: 0.5535300221754056
Energy: 0.5082486212137818
Energy: 0.6678341845872636
Energy: 0.5335136961682192
Energy: 0.5374261410067905
Energy: 0.533513696169621
Energy: 0.6475907114588586
Energy: 0.5892153141668668
Energy: 0.5516026535366589
Energy: 0.5892153141668668
Energy: 0.6659210860772939
Energy: 0.6517894087249472
Energy: 0.6042109896336777
Energy: 0.6517894087235456
Energy: 0.6395892505364822
Energy: 0.6581001361409021
Energy: 0.6188282591724326
Energy: 0.6581001361423039
Energy: 0.6560818308630917
Energy: 0.6625810981954727
Energy: 0.5973214150762092
Energy: 0.6625810982150958
Energy: 0.5465015571711337
Energy: 0.5486671307712085
Energy: 0.5883814247198222
Energy: 0.5486671307726102
Energy: 0.5568754540995873
Energy: 0.5911097449673453
Energy: 0.6811374238215241
Energy: 0.5911097449673453
Energy: 0.5337045043462845
Energy: 0.6113306534482903
Energy: 0.6673207624693721
Energy: 0.6113306534482903
Energy: 0.5495852797564439
Energy: 0.5307876457583618
Energy: 0.6762264193006545
Energy: 0.5307876457429437
Energy: 0.48941392552640295
Energy: 0.487966928044294
Energy: 0.665379999082943
Energy: 0.48796692804149067
Energy: 0.48692902337646665
Energy: 0.507857409691843
Energy: 0.6675053716101835
Energy: 0.507857409691843
Energy: 0.5019636134417566
Energy: 0.47932092374168567
Energy: 0.7008084427728395
Energy: 0.4793209237374807
Energy: 0.5729737412389236
Energy: 0.5733305514931547
Energy: 0.6534926573310834
Energy: 0.5733305514945563
Energy: 0.5427902394410364
Energy: 0.481518771429755
Energy: 0.7100954295300688
Energy: 0.4815187714283533
Energy: 0.5363439289911376
Energy: 0.6215580946063227
Energy: 0.6675573457048914
Energy: 0.6215580946063227
Energy: 0.5509299724418536
Energy: 0.6111511043579333
Energy: 0.6468647437514027
Energy: 0.6111511043579333
Energy: 0.5576287290128065
Energy: 0.5988424296744229
Energy: 0.6610913089453865
Energy: 0.5988424296730213
Energy: 0.6196284651509849
Energy: 0.6576028924995512
Energy: 0.6398697175825704
Energy: 0.6576028924995512
Energy: 0.5969679437816482
Energy: 0.6518435487293416
Energy: 0.6429181233588819
Energy: 0.6518435487307432
Energy: 0.5890646728962268
Energy: 0.5470709344996229
Energy: 0.5471813236163185
Energy: 0.5470709345010245
Energy: 0.6811564029413493
Energy: 0.5908980757996629
Energy: 0.553533489146819
Energy: 0.5908980758010646
Energy: 0.6678091722304393
Energy: 0.5434315902338558
Energy: 0.5355722139763542
Energy: 0.5434315902310525
Energy: 0.6767761361775924
Energy: 0.538048595100803
Energy: 0.5508247559775029
Energy: 0.5380485950994015

minimum gb energy = 0.4793209237374807 eV
minimum distance =  2.29158586118767 Angstroms
sigma value = 25


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

Energy: 0.7358400228472833
Energy: 0.5869773693736974
Energy: 0.6001919855555405
Energy: 0.5869773693916207
Energy: 0.6829310954972698
Energy: 0.4752506360957303
Energy: 0.5112277766558316
Energy: 0.4752506360989891
Energy: 0.6690720907225334
Energy: 0.516859476797361
Energy: 0.499005751385248
Energy: 0.5168594767989904
Energy: 0.6987714429046602
Energy: 0.5588239662775714
Energy: 0.488972436201936
Energy: 0.5588239662775714
Energy: 0.6843033795045379
Energy: 0.580972099078959
Energy: 0.6120477956056601
Energy: 0.5809720990577771
Energy: 0.6620909206892827
Energy: 0.6662043584673911
Energy: 0.6126136700899596
Energy: 0.6662043584706498
Energy: 0.6623470768122194
Energy: 0.6545778621638426
Energy: 0.5990960559046663
Energy: 0.6545778621638426
Energy: 0.6346096641560137
Energy: 0.6268854449485545
Energy: 0.6055333500434849
Energy: 0.6268854449485545
Energy: 0.6069454927660584
Energy: 0.6612994240753874
Energy: 0.6373957423942349
Energy: 0.6612994240753874
Energy: 0.6152557520771647
Energy: 0.5759736517968171
Energy: 0.6757759143713398
Energy: 0.575973651800076
Energy: 0.6383287550460043
Energy: 0.6039432087162937
Energy: 0.6873858588023548
Energy: 0.6039432087179232
Energy: 0.5040011877603138
Energy: 0.5037153820471244
Energy: 0.7018301262789285
Energy: 0.5037153820471244
Energy: 0.49162389977429255
Energy: 0.516762743062531
Energy: 0.6474008152163943
Energy: 0.5167627430690485
Energy: 0.5084792312534944
Energy: 0.47534690374386557
Energy: 0.676046591796736
Energy: 0.47534690374386557
Energy: 0.5382252962839249
Energy: 0.52113659458878
Energy: 0.6452945023300971
Energy: 0.5211365945904093
Energy: 0.574505635773676
Energy: 0.4990444324541387
Energy: 0.6481894106022358
Energy: 0.4990444324541387
Energy: 0.521528762217362
Energy: 0.4937200049135508
Energy: 0.6658436796568954
Energy: 0.4937200049151802
Energy: 0.5628747921562517
Energy: 0.6409161884084699
Energy: 0.6686964975699585
Energy: 0.6409161884100992
Energy: 0.5387987158372806
Energy: 0.564518536855321
Energy: 0.6247120629875141
Energy: 0.564518536855321
Energy: 0.6429152699114
Energy: 0.5800680236480298
Energy: 0.6766173473866365
Energy: 0.5800680236480298
Energy: 0.6335435575094891
Energy: 0.6976395080912868
Energy: 0.6553138241179716
Energy: 0.6976395080945457
Energy: 0.6369481267531291
Energy: 0.6200192317291445
Energy: 0.5329666518507711
Energy: 0.6200192317307739
Energy: 0.6625379287743258
Energy: 0.5737589995375477
Energy: 0.5173455123151517
Energy: 0.5737589995375477
Energy: 0.6872646928872497
Energy: 0.4949815731945689
Energy: 0.5331103454967269
Energy: 0.49498157319293956
Energy: 0.6808601172239264
Energy: 0.5863449189372281
Energy: 0.6030293069065604
Energy: 0.5863449189339693

minimum gb energy = 0.4752506360957303 eV
minimum distance =  2.27148680781204 Angstroms
sigma value = 9


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

Energy: 0.7889967739452264
Energy: 0.6383014823008275
Energy: 0.6031327744491586
Energy: 0.6383014823016006
Energy: 0.7051429991525959
Energy: 0.5440633282943614
Energy: 0.4810459932265289
Energy: 0.5440633283629444
Energy: 0.6273893266622482
Energy: 0.5519516611050092
Energy: 0.5253411646200957
Energy: 0.5519516611044348
Energy: 0.7160529629166913
Energy: 0.5656567317257368
Energy: 0.5362361247920379
Energy: 0.5656567317253391
Energy: 0.571073842545806
Energy: 0.6589235001613518
Energy: 0.6532862059586486
Energy: 0.6589235001588338
Energy: 0.715854645727249
Energy: 0.5652186256493147
Energy: 0.6375049512924783
Energy: 0.5652186256506841
Energy: 0.6915247849178613
Energy: 0.6297841071235201
Energy: 0.5086170586702421
Energy: 0.6297841071198315
Energy: 0.6519233557667611
Energy: 0.6079455423614947
Energy: 0.6281416282860911
Energy: 0.6079455423612958
Energy: 0.5758820369393303
Energy: 0.6150930199181155
Energy: 0.626206091698755
Energy: 0.6150930199177399
Energy: 0.5803599069434364
Energy: 0.5529341948052153
Energy: 0.6493425655584855
Energy: 0.5529341948106491
Energy: 0.6727966134399134
Energy: 0.5831761550034067
Energy: 0.6491351714001329
Energy: 0.5831761533039843
Energy: 0.48094302878318257
Energy: 0.5826639537008701
Energy: 0.6725191013659899
Energy: 0.5826639537035869
Energy: 0.5232486684842254
Energy: 0.5776402790253097
Energy: 0.6773320562809074
Energy: 0.5776402790274523
Energy: 0.6028037734434173
Energy: 0.5531509747267017
Energy: 0.7163605491487858
Energy: 0.5531509747267017
Energy: 0.6485258105767867
Energy: 0.5921768154857041
Energy: 0.5551839584427797
Energy: 0.5921768154843569
Energy: 0.5772424152386968
Energy: 0.5659557470891001
Energy: 0.7162551279447563
Energy: 0.5659557470885037
Energy: 0.5103161927539408
Energy: 0.6252114166602061
Energy: 0.6216988271819963
Energy: 0.6252114166602061
Energy: 0.4611300005762801
Energy: 0.6291870387321923
Energy: 0.593323617688435
Energy: 0.6291870387386199
Energy: 0.6996575674433204
Energy: 0.6102466965671622
Energy: 0.6822708740578722
Energy: 0.6102466965677366
Energy: 0.6485428946631214
Energy: 0.5359189848899862
Energy: 0.5814442973296066
Energy: 0.5359189848979379
Energy: 0.6519891867662536
Energy: 0.5829715050904194
Energy: 0.6748244370139644
Energy: 0.582971522669753

minimum gb energy = 0.4611300005762801 eV
minimum distance =  2.24614428907419 Angstroms
sigma value = 25


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

Energy: 0.663307160589886
Energy: 0.5869878043078051
Energy: 0.6293504827315766
Energy: 0.5869878043005937
Energy: 0.5916407095016447
Energy: 0.588934437054576
Energy: 0.5339106620507095
Energy: 0.5889344370550678
Energy: 0.6770485501745404
Energy: 0.5236504533313293
Energy: 0.4994542011172785
Energy: 0.5236504533305918
Energy: 0.589862741480117
Energy: 0.5345374913092352
Energy: 0.5090090990673202
Energy: 0.5345374913073231
Energy: 0.578283074214513
Energy: 0.5602820315301906
Energy: 0.5698738406316721
Energy: 0.5602820315316385
Energy: 0.5684056676410195
Energy: 0.5649174813622899
Energy: 0.5692757514412571
Energy: 0.5649174813625357
Energy: 0.5244409673249945
Energy: 0.6209124997539337
Energy: 0.6418734557454959
Energy: 0.6209124997536878
Energy: 0.562480308743582
Energy: 0.5571779317202853
Energy: 0.6822740167391381
Energy: 0.5571779317185916
Energy: 0.5112729997431131
Energy: 0.5136036025024244
Energy: 0.5970542043648699
Energy: 0.5136036025038722
Energy: 0.5262854971064329
Energy: 0.6106700047696912
Energy: 0.6298032023824341
Energy: 0.610670004769227
Energy: 0.49682142057006157
Energy: 0.5113099088279341
Energy: 0.7132797841792001
Energy: 0.5113099088272239
Energy: 0.6100218578547683
Energy: 0.6398978264201407
Energy: 0.6174380339926037
Energy: 0.6398978264199223
Energy: 0.6257366126536833
Energy: 0.5208728575988376
Energy: 0.647917395918584
Energy: 0.5208728575976358
Energy: 0.6031198415052257
Energy: 0.6015967988997574
Energy: 0.5993147846091483
Energy: 0.6015967989014237
Energy: 0.5681835709729471
Energy: 0.5734440008730259
Energy: 0.5913130025508726
Energy: 0.5734440008735177
Energy: 0.670549974271425
Energy: 0.5392051349690501
Energy: 0.5990468143657395
Energy: 0.5392051349700061
Energy: 0.554190249897729
Energy: 0.6365627773708264
Energy: 0.5394392020735647
Energy: 0.6365627773710723

minimum gb energy = 0.49682142057006157 eV
minimum distance =  2.29023307071289 Angstroms
sigma value = 17


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

Energy: 0.5576586912330067
Energy: 0.5853806233682318
Energy: 0.5614524620715694
Energy: 0.5853806233695933
Energy: 0.6482349226788471
Energy: 0.5497478052649944
Energy: 0.49831080265641226
Energy: 0.5497478052649944
Energy: 0.609884989635618
Energy: 0.529621260716182
Energy: 0.5258231941586616
Energy: 0.5296212607175435
Energy: 0.5784602133254279
Energy: 0.5460730098542564
Energy: 0.5072643077421938
Energy: 0.5460730098542564
Energy: 0.6213300742484045
Energy: 0.5751035548255445
Energy: 0.5941538928862475
Energy: 0.5751035548241831
Energy: 0.5860585993189553
Energy: 0.5759739564705677
Energy: 0.5797504604469866
Energy: 0.5759739564705677
Energy: 0.6073493630853445
Energy: 0.5119728937303859
Energy: 0.6087982117159347
Energy: 0.5119728937317473
Energy: 0.5283380662290128
Energy: 0.5270724621480823
Energy: 0.6013605316581245
Energy: 0.5270724621480823
Energy: 0.49939405498582723
Energy: 0.5508736386786206
Energy: 0.6053074434991266
Energy: 0.5508736386772592
Energy: 0.5159522874108889
Energy: 0.5570069599678648
Energy: 0.5744990632541505
Energy: 0.5570069599651419
Energy: 0.5281886390529724
Energy: 0.5081958626913905
Energy: 0.6243836175338318
Energy: 0.5081958626954747
Energy: 0.606253514792106
Energy: 0.5961644193013294
Energy: 0.5818224140320839
Energy: 0.5961644193013294
Energy: 0.5612507229956468
Energy: 0.5893287790642534
Energy: 0.6274231448429489
Energy: 0.5893287790669761
Energy: 0.5580427464653023
Energy: 0.5187976130400768
Energy: 0.511539938687101
Energy: 0.5187976130414381
Energy: 0.5858905690301534
Energy: 0.5480174204987915
Energy: 0.5115036967482154
Energy: 0.5480174204960687
Energy: 0.6090072908046487
Energy: 0.5418124195955044
Energy: 0.5076685771745759
Energy: 0.5418124195968658
Energy: 0.5658729432550665
Energy: 0.5320081093539083
Energy: 0.5574593160803594
Energy: 0.5320081093539083
Energy: 0.5655739170588412
Energy: 0.5891351461987026
Energy: 0.5985100558385055
Energy: 0.5891351461946184
Energy: 0.6086244167671966
Energy: 0.5643700901896908
Energy: 0.5875609662884305
Energy: 0.5643700901869678
Energy: 0.5099998728182499
Energy: 0.5747399730248534
Energy: 0.5846376276717835
Energy: 0.5747399730262148
Energy: 0.5107422912272039
Energy: 0.5563606819034468
Energy: 0.5819295675034689
Energy: 0.5563606819020852
Energy: 0.5268290382789235
Energy: 0.5337312130949913
Energy: 0.601688261473284
Energy: 0.5337312130963527
Energy: 0.5243324143955108
Energy: 0.5917107100412176
Energy: 0.5827178828429486
Energy: 0.5917107100439405
Energy: 0.5714209407346945
Energy: 0.5273807280123501
Energy: 0.6794108884280126
Energy: 0.5273807280150729
Energy: 0.5621418820849825
Energy: 0.6017893901543496
Energy: 0.6495267375461519
Energy: 0.6017893901516267
Energy: 0.5783364609763028
Energy: 0.5670647546652198
Energy: 0.6052454516839937
Energy: 0.5670647546679427
Energy: 0.5561616051963435
Energy: 0.5651386205040753
Energy: 0.5614834486556239
Energy: 0.5651386205027139
Energy: 0.6052945467977775
Energy: 0.5635950740550869
Energy: 0.5727746736387304
Energy: 0.5635950740523641
Energy: 0.6243575740845274
Energy: 0.5630333227158347
Energy: 0.563755084863179
Energy: 0.5630333227171961
Energy: 0.5671976027381868
Energy: 0.5433478163599912
Energy: 0.5693330042026099
Energy: 0.5433478163586297

minimum gb energy = 0.49831080265641226 eV
minimum distance =  2.29017683460278 Angstroms
sigma value = 53


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

Energy: 0.4584207131421948
Energy: 0.4725776187890293
Energy: 0.48822711133807123
Energy: 0.47257773862140257
Energy: 0.4923210508998932
Energy: 0.4422254411608233
Energy: 0.4882368318678197
Energy: 0.44222544116114393
Energy: 0.5343571514146015
Energy: 0.46524244872763504
Energy: 0.47164477614489475
Energy: 0.4652424487289172
Energy: 0.5758785543565599
Energy: 0.4717624111076114
Energy: 0.49088275962572603
Energy: 0.4717624111069703
Energy: 0.5766388456986851
Energy: 0.4503564086238328
Energy: 0.48917918899116164
Energy: 0.45035640862447374
Energy: 0.5728997412497578
Energy: 0.46753193790792447
Energy: 0.5384948202109747
Energy: 0.4675319379113792
Energy: 0.5388999185067577
Energy: 0.4719713558500735
Energy: 0.46128131031602404
Energy: 0.4719713558456572
Energy: 0.49335511788415554
Energy: 0.44260927344596546
Energy: 0.46235653535744076
Energy: 0.44260927343748885
Energy: 0.4715382746046914
Energy: 0.4429070933591451
Energy: 0.5365774621349513
Energy: 0.4429070933572574
Energy: 0.4889713601097253
Energy: 0.4711602624303022
Energy: 0.5848863416141452
Energy: 0.4711602624290556
Energy: 0.47294508597104806
Energy: 0.47017058147289914
Energy: 0.5771098667071983
Energy: 0.4701705814725786
Energy: 0.5368316481895058
Energy: 0.47191186962858617
Energy: 0.5765080310131884
Energy: 0.4719118696248465
Energy: 0.46294956504175794
Energy: 0.467982484034616
Energy: 0.5353400013017138
Energy: 0.4679824840415255

minimum gb energy = 0.4422254411608233 eV
minimum distance =  2.25954824036707 Angstroms
sigma value = 9


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

Energy: 0.6875044047561526
Energy: 0.6283064482301701
Energy: 0.6104916138427643
Energy: 0.6283064482451975
Energy: 0.6130632071906049
Energy: 0.565579374271787
Energy: 0.5671912119985345
Energy: 0.5655793742728941
Energy: 0.6098122817830348
Energy: 0.5682601551027776
Energy: 0.5596272450587462
Energy: 0.5682601551050976
Energy: 0.5570723613233467
Energy: 0.5612922413495749
Energy: 0.5632448321092502
Energy: 0.561292241357695
Energy: 0.5467141468991726
Energy: 0.522902665324094
Energy: 0.5568872534105167
Energy: 0.522902665326414
Energy: 0.5606113053497522
Energy: 0.5873099348843556
Energy: 0.6416168003487903
Energy: 0.5873099348831956
Energy: 0.6524537357312071
Energy: 0.6004930873915242
Energy: 0.6351993536356494
Energy: 0.6004930873903642
Energy: 0.5650192912326439
Energy: 0.5489523628425573
Energy: 0.5633068782509396
Energy: 0.5489523628425573
Energy: 0.5680423068313235
Energy: 0.5893982655633644
Energy: 0.6022518920476897
Energy: 0.5893982655912047
Energy: 0.5695135797226532
Energy: 0.5239583804360324
Energy: 0.5279186711979453
Energy: 0.5239583804371925
Energy: 0.5757349788615713
Energy: 0.5430994966637888
Energy: 0.5220345492244793
Energy: 0.5430994966603087
Energy: 0.5966946750502636
Energy: 0.5330622886180402
Energy: 0.5140699292280713
Energy: 0.53306228861572
Energy: 0.5802537571336807
Energy: 0.4997987532964825
Energy: 0.5145097073557902
Energy: 0.4997987532964825
Energy: 0.5670413032799678
Energy: 0.5468989103425994
Energy: 0.632367936817461
Energy: 0.5468989103460795
Energy: 0.6017262221455274
Energy: 0.5777493989888359
Energy: 0.5621289590455915
Energy: 0.5777493989899959
Energy: 0.5806163365921827
Energy: 0.5357621429420588
Energy: 0.6317214804407983
Energy: 0.5357621429432189
Energy: 0.5088983250406864
Energy: 0.5133295245039146
Energy: 0.5805949459566387
Energy: 0.5133295245085546
Energy: 0.485329845180185
Energy: 0.50883713318696
Energy: 0.5838144631802802
Energy: 0.5088371331881201
Energy: 0.4992131633947353
Energy: 0.5346677421854804
Energy: 0.5780099981396783
Energy: 0.5346677421831604
Energy: 0.5748967812987303
Energy: 0.5534940143835068
Energy: 0.6436448372410724
Energy: 0.5534940143823467
Energy: 0.5949716749445109
Energy: 0.550611786647974
Energy: 0.5871213051423967
Energy: 0.550611786650294
Energy: 0.5461705127612032
Energy: 0.5260847376258186
Energy: 0.5794844069034074
Energy: 0.5260847376269786
Energy: 0.5486293259792037
Energy: 0.5659021711104844
Energy: 0.545691197926191
Energy: 0.5659021711081643
Energy: 0.5799660277780849
Energy: 0.5101216992616671
Energy: 0.49095358955610857
Energy: 0.5101216992628271
Energy: 0.5806918024546541
Energy: 0.5080131155233555
Energy: 0.4941761596106908
Energy: 0.5080131155233555
Energy: 0.6105485478566116
Energy: 0.5458569447151019
Energy: 0.49975665109918976
Energy: 0.5458569447127819
Energy: 0.5760095534018368
Energy: 0.5811982365549725
Energy: 0.5660780970597973
Energy: 0.5811982365549725
Energy: 0.5541967226813941
Energy: 0.5313841759689907
Energy: 0.5874463746690242
Energy: 0.5313841759689907
Energy: 0.5391623375312181
Energy: 0.5436923643926529
Energy: 0.6192303660738664
Energy: 0.543692364390333
Energy: 0.5207607681836894
Energy: 0.5492676134710732
Energy: 0.5956379882815975
Energy: 0.5492676134745532
Energy: 0.5155120575571124
Energy: 0.5313785041122526
Energy: 0.5778974556303681
Energy: 0.5313785041157325
Energy: 0.5304922697369542
Energy: 0.5203696101629288
Energy: 0.5841995379614662
Energy: 0.5203696101629288
Energy: 0.5519021693021264
Energy: 0.5415783639845216
Energy: 0.5814264783385061
Energy: 0.5415783639856816
Energy: 0.5882745292468805
Energy: 0.5841216649481951
Energy: 0.5805305907602001
Energy: 0.584121664947035
Energy: 0.6997449962330866
Energy: 0.5976340432587
Energy: 0.6288791837402561
Energy: 0.59763404325638

minimum gb energy = 0.485329845180185 eV
minimum distance =  2.25127891917131 Angstroms
sigma value = 73


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

Energy: 0.6127677860119981
Energy: 0.6454855724134232
Energy: 0.5437065351008625
Energy: 0.6454855724130677
Energy: 0.6206420962251165
Energy: 0.5147988285016205
Energy: 0.5383961262956796
Energy: 0.5147988285025408
Energy: 0.5693562472064159
Energy: 0.5712117404672782
Energy: 0.5372784182931386
Energy: 0.5712117404685539
Energy: 0.5462690413887469
Energy: 0.5165709608200456
Energy: 0.5480877826438766
Energy: 0.5165709608158209
Energy: 0.5368203546040938
Energy: 0.5052895731064032
Energy: 0.53346467550683
Energy: 0.5052895731058384
Energy: 0.5369432073186864
Energy: 0.5709017978389046
Energy: 0.5980014843428549
Energy: 0.5709017978378169
Energy: 0.6458884451361856
Energy: 0.5887494274408666
Energy: 0.5788933040207441
Energy: 0.5887494274412223
Energy: 0.5627371366604743
Energy: 0.5703390386247731
Energy: 0.5416558231278258
Energy: 0.5703390386236645
Energy: 0.5697824315008182
Energy: 0.5864981529919098
Energy: 0.5734538022060106
Energy: 0.5864981529941268
Energy: 0.581601555125503
Energy: 0.4789792900835067
Energy: 0.49081312968520224
Energy: 0.47897929008241913
Energy: 0.5668172877634621
Energy: 0.518822186816979
Energy: 0.4962625708421883
Energy: 0.5188221868158914
Energy: 0.5785015669562767
Energy: 0.5144195497729585
Energy: 0.46829276080540944
Energy: 0.5144195497718501
Energy: 0.5566141588326925
Energy: 0.5136534599259415
Energy: 0.5317643163436278
Energy: 0.5136534599279703
Energy: 0.5853997477424298
Energy: 0.5343948368069525
Energy: 0.6035427279928867
Energy: 0.5343948368045472
Energy: 0.5605528882949157
Energy: 0.5050781482748391
Energy: 0.5744590240895433
Energy: 0.5050781482720783
Energy: 0.6046336833028757
Energy: 0.5167438410581436
Energy: 0.5695602914142432
Energy: 0.5167438410559476
Energy: 0.4905478203903841
Energy: 0.4775244915617015
Energy: 0.5421126049746614
Energy: 0.4775244915571003
Energy: 0.46875167258031464
Energy: 0.5094149776490713
Energy: 0.5713277348646636
Energy: 0.5094149776499916
Energy: 0.47859493890812904
Energy: 0.519784609950523
Energy: 0.5779502681969474
Energy: 0.5197846099499583
Energy: 0.4671984163967007
Energy: 0.5164103090047871
Energy: 0.6160404294853099
Energy: 0.5164103090058955
Energy: 0.5743598845715469
Energy: 0.5692433590625289
Energy: 0.5668478076545774
Energy: 0.5692433590610648
Energy: 0.5375155839930699
Energy: 0.5506270694829172
Energy: 0.6368350664145894
Energy: 0.5506270694838373

minimum gb energy = 0.4671984163967007 eV
minimum distance =  2.27422465203067 Angstroms
sigma value = 7


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

Energy: 0.8838322371295605
Energy: 0.6741661829940735
Energy: 0.7911469561647091
Energy: 0.6741661829901693
Energy: 0.5160179210405746
Energy: 0.4885673867640013
Energy: 0.5137108971203173
Energy: 0.48856738676530265
Energy: 0.5102815251391631
Energy: 0.5720524625184155
Energy: 0.5304312697040036
Energy: 0.5720524625210183
Energy: 0.5261172481250725
Energy: 0.5018292323123793
Energy: 0.5270240325789026
Energy: 0.5018292323123793
Energy: 0.5565697570811032
Energy: 0.5788712332726982
Energy: 0.5061272849118215
Energy: 0.5788712332713968
Energy: 0.5133930141378525
Energy: 0.5758248182721026
Energy: 0.5116247293076743
Energy: 0.5758248182721026
Energy: 0.562843558513246
Energy: 0.5490280782502713
Energy: 0.5616104670377347
Energy: 0.5490280782489699
Energy: 0.6208179102985983
Energy: 0.49855115704976266
Energy: 0.5798924987042328
Energy: 0.49855115704976266
Energy: 0.5867332353624529
Energy: 0.5725434121524102
Energy: 0.5235216633981153
Energy: 0.5725434121537116
Energy: 0.6375321055664313
Energy: 0.4849384221273608
Energy: 0.4847082159196887
Energy: 0.4849384221247581
Energy: 0.5598431097857982
Energy: 0.4888507131204356
Energy: 0.460953434055264
Energy: 0.4888507131191342
Energy: 0.5697671471896625
Energy: 0.5095466861767775
Energy: 0.4546949949663251
Energy: 0.509546686175476
Energy: 0.5637926005182754
Energy: 0.49122720819521504
Energy: 0.4858431170175613
Energy: 0.4912272081900094
Energy: 0.5907873939947592
Energy: 0.6033606489237752
Energy: 0.5209916865089945
Energy: 0.6033606489224738
Energy: 0.5669334024035569
Energy: 0.488206788623863
Energy: 0.5149066297455717
Energy: 0.488206788623863
Energy: 0.6655363632291893
Energy: 0.5308936622943149
Energy: 0.5380164478205955
Energy: 0.5308936622930135
Energy: 0.5430879238748324
Energy: 0.5077691974834929
Energy: 0.6130800157796652
Energy: 0.5077691974821915
Energy: 0.5091523592774139
Energy: 0.571927617723433
Energy: 0.5185833000967297
Energy: 0.5719276177221316
Energy: 0.5566060702814981
Energy: 0.5005344729662614
Energy: 0.5007077315603471
Energy: 0.5005344729662614
Energy: 0.5067417714570003
Energy: 0.49979470527113146
Energy: 0.5910281208013275
Energy: 0.49979470526852865
Energy: 0.5188091951608049
Energy: 0.5728828036485178
Energy: 0.5126723627972688
Energy: 0.5728828036472166
Energy: 0.6203571043295241
Energy: 0.4838736500074773
Energy: 0.5777746966036846
Energy: 0.4838736500074773
Energy: 0.6431434065721248
Energy: 0.508894040997702
Energy: 0.604416601775872
Energy: 0.5088940409990034
Energy: 0.5151726801780027
Energy: 0.5737011762444014
Energy: 0.5687458033111813
Energy: 0.5737011762431
Energy: 0.5209395919100304
Energy: 0.47978694849059556
Energy: 0.6301888917086883
Energy: 0.47978694849059556
Energy: 0.4634950912831657
Energy: 0.4904696686174647
Energy: 0.5596829239273802
Energy: 0.4904696686174647
Energy: 0.45328627037905844
Energy: 0.5092785399185962
Energy: 0.5667367776684631
Energy: 0.5092785399172948
Energy: 0.48471849342783047
Energy: 0.490708085411728
Energy: 0.5644780893458828
Energy: 0.4907080854143308
Energy: 0.5204788900504973
Energy: 0.4813276768736899
Energy: 0.5543466657428717
Energy: 0.48132767687499134
Energy: 0.5150771503197284
Energy: 0.5201811294887316
Energy: 0.5662654090849434
Energy: 0.5201811294913344
Energy: 0.6928044867732592
Energy: 0.491236531953585
Energy: 0.6291238119421088
Energy: 0.491236531953585

minimum gb energy = 0.45328627037905844 eV
minimum distance =  2.26023802278723 Angstroms
sigma value = 29


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

Energy: 0.6849421983041306
Energy: 0.4109893745007205
Energy: 0.4844201045075069
Energy: 0.41098937450339
Energy: 0.4104024822866243
Energy: 0.41150470558917823
Energy: 0.42187435487342784
Energy: 0.41150470558295776
Energy: 0.3970842316711129
Energy: 0.5033858333442679
Energy: 0.42069254569736014
Energy: 0.5033858333438146
Energy: 0.47433067474905327
Energy: 0.4988630415491142
Energy: 0.3388729772482443
Energy: 0.4988630415486609
Energy: 0.4750396781033674
Energy: 0.5449663034026548
Energy: 0.5052951575230179
Energy: 0.5449663034022015
Energy: 0.4282767487689972
Energy: 0.5212398051353302
Energy: 0.503222174650958
Energy: 0.5212398051353302
Energy: 0.5206032997703162
Energy: 0.38993061283202624
Energy: 0.42503985797642874
Energy: 0.38993061283202624
Energy: 0.42040423676289873
Energy: 0.503082994040966
Energy: 0.5032453431031949
Energy: 0.5030829940413941
Energy: 0.43809830363854724
Energy: 0.5138514287616107
Energy: 0.5040049587763266
Energy: 0.5138514287616107

minimum gb energy = 0.3388729772482443 eV
minimum distance =  2.28880256116832 Angstroms
sigma value = 5


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

Energy: 0.7534962359660713
Energy: 0.7533750585961144
Energy: 0.7503326502150375
Energy: 0.7533750585985731
Energy: 0.6383147922521974
Energy: 0.5267526324147875
Energy: 0.5980098696203466
Energy: 0.5267526324197048
Energy: 0.5964723070684672
Energy: 0.579843214376593
Energy: 0.5450030206435118
Energy: 0.579843214376593
Energy: 0.5392649915453784
Energy: 0.5477344188449369
Energy: 0.5412353573471201
Energy: 0.5477344188339289
Energy: 0.5499661937188459
Energy: 0.5316252526393884
Energy: 0.5436687308671839
Energy: 0.5316252526430764
Energy: 0.5403866757942397
Energy: 0.524702926642708
Energy: 0.5481276185519433
Energy: 0.5247029266439374
Energy: 0.5168075013286381
Energy: 0.5985190180951271
Energy: 0.6242131592963586
Energy: 0.5985190180938977
Energy: 0.5484634209384569
Energy: 0.5694677064740193
Energy: 0.5356764623368961
Energy: 0.5694677064740193
Energy: 0.619658957182486
Energy: 0.5330008397729059
Energy: 0.5693773249067846
Energy: 0.5330008397729059
Energy: 0.7012447455584583
Energy: 0.6258811993623177
Energy: 0.5994331969056224
Energy: 0.6258811993610884
Energy: 0.6130326653537099
Energy: 0.562006297762064
Energy: 0.543812310833161
Energy: 0.5620062977596053
Energy: 0.5595144918653948
Energy: 0.543469873050426
Energy: 0.5484694499835134
Energy: 0.5434698730516554
Energy: 0.568799277941205
Energy: 0.5318662409209417
Energy: 0.5492570325456563
Energy: 0.531866240922171
Energy: 0.533981033436378
Energy: 0.5266490310102196
Energy: 0.6032461211601814
Energy: 0.5266490310089903
Energy: 0.5412288923563786
Energy: 0.6012965552736712
Energy: 0.5208653836323689
Energy: 0.6012965552761299
Energy: 0.5438721243040491
Energy: 0.530752157453078
Energy: 0.6226674629587828
Energy: 0.5307521574543073
Energy: 0.5519167315898872
Energy: 0.5290100244871463
Energy: 0.5463904595629058
Energy: 0.5290100244896049
Energy: 0.5440294113204586
Energy: 0.5248079544007481
Energy: 0.5824325457420435
Energy: 0.5248079543982894
Energy: 0.5509922748106514
Energy: 0.5677554778339107
Energy: 0.5028224989951142
Energy: 0.56775547783514
Energy: 0.5387039185937293
Energy: 0.638554815334547
Energy: 0.6232673710341642
Energy: 0.638554815330915
Energy: 0.6046146644763727
Energy: 0.5403348635382917
Energy: 0.5908881800665075
Energy: 0.5403348635370625
Energy: 0.5733884937608651
Energy: 0.5674384854475744
Energy: 0.5863659284894892
Energy: 0.5674384854451157
Energy: 0.571576963600793
Energy: 0.5284843300235095
Energy: 0.620077733427554
Energy: 0.5284843300198215
Energy: 0.5512945373551048
Energy: 0.5927827816526422
Energy: 0.5198114807031051
Energy: 0.5927827816538715
Energy: 0.5563948028852385
Energy: 0.5254505580526327
Energy: 0.5914551110071399
Energy: 0.5254505580563207
Energy: 0.534000699392101
Energy: 0.54318954938603
Energy: 0.5290101406266592
Energy: 0.5431895493872594
Energy: 0.5400974506542379
Energy: 0.5441017484625913
Energy: 0.6336102651503714
Energy: 0.5441017484638206
Energy: 0.6339851796119963
Energy: 0.547735011011901
Energy: 0.5359306512376548
Energy: 0.5477350110094424
Energy: 0.5470102932220458
Energy: 0.5281429163268743
Energy: 0.5837435723272129
Energy: 0.5281429163219571
Energy: 0.6165760306968451
Energy: 0.5238308219463821
Energy: 0.5521276912667851
Energy: 0.5238308219439234
Energy: 0.5315337845885351
Energy: 0.677356331708678
Energy: 0.5359222068283576
Energy: 0.6773563317111367
Energy: 0.6241490302726995
Energy: 0.5272388841198304
Energy: 0.5751461853259201
Energy: 0.5272388841198304
Energy: 0.6935864047372079
Energy: 0.5808300130521796
Energy: 0.629461716972627
Energy: 0.580830013060785

minimum gb energy = 0.5028224989951142 eV
minimum distance =  2.26903809821475 Angstroms
sigma value = 1


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

Energy: 0.9314184226763681
Energy: 0.6706916634539806
Energy: 0.6711726891858697
Energy: 0.6706916634522808
Energy: 0.5622030774744349
Energy: 0.5374457828722758
Energy: 0.5468178857397351
Energy: 0.5374457828739755
Energy: 0.5464319792530724
Energy: 0.6401412171419046
Energy: 0.5643355265480654
Energy: 0.6401412171419046
Energy: 0.5629108805525888
Energy: 0.6742759348532256
Energy: 0.6063688282469173
Energy: 0.674275934856625
Energy: 0.5279328780861934
Energy: 0.5393193500961156
Energy: 0.575423327607173
Energy: 0.5393193500944159
Energy: 0.5220041906339823
Energy: 0.5421987350428982
Energy: 0.5346842877358715
Energy: 0.5421987350394987
Energy: 0.5050154232828201
Energy: 0.5183113727344519
Energy: 0.5880732213271682
Energy: 0.5183113727157548
Energy: 0.527695816217734
Energy: 0.5366810699762555
Energy: 0.5400156143731952
Energy: 0.536681069972856
Energy: 0.6372246518348502
Energy: 0.5373233015085497
Energy: 0.5371446126298817
Energy: 0.5373233015119493
Energy: 0.6116914796000955
Energy: 0.5613853479407519
Energy: 0.5186128289311261
Energy: 0.5613853479390521
Energy: 0.6367517954404609
Energy: 0.5354099199977761
Energy: 0.5564416631697716
Energy: 0.5354099199994758
Energy: 0.503548725841519
Energy: 0.6114675384656879
Energy: 0.5262928534942716
Energy: 0.6114675384656879
Energy: 0.4954909142062017
Energy: 0.5355396793064948
Energy: 0.5265278664727926
Energy: 0.535539679304795
Energy: 0.5302766602121791
Energy: 0.5342451032315368
Energy: 0.5609724315625292
Energy: 0.5342451032332365
Energy: 0.5111754917266557
Energy: 0.5708761172898831
Energy: 0.5033181422016051
Energy: 0.5708761172932825
Energy: 0.5256611096855704
Energy: 0.5406265771948422
Energy: 0.5768106103932289
Energy: 0.540626577203341
Energy: 0.5342952815093622
Energy: 0.5367172679510275
Energy: 0.5289392926826774
Energy: 0.5367172679510275
Energy: 0.5365264622055401
Energy: 0.5436035472727678
Energy: 0.5909787089417764
Energy: 0.5436035472761674
Energy: 0.5880572417821349
Energy: 0.5372119250568134
Energy: 0.48688574751454855
Energy: 0.537211925058513
Energy: 0.535709194492448
Energy: 0.5365036093649428
Energy: 0.5430619096677246
Energy: 0.5365036093649428
Energy: 0.5844364981564916
Energy: 0.5376455078062611
Energy: 0.5409738598563097
Energy: 0.5376455078062611
Energy: 0.5263200535302631
Energy: 0.5811588608029649
Energy: 0.5163186560800873
Energy: 0.5811588608046646
Energy: 0.5621695773900304
Energy: 0.5347007387092476
Energy: 0.5993796057426586
Energy: 0.534700738707548
Energy: 0.5264164830959324
Energy: 0.5354575342133223
Energy: 0.5053365367077373
Energy: 0.5354575342149835

minimum gb energy = 0.48688574751454855 eV
minimum distance =  2.27919602020559 Angstroms
sigma value = 17


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

Energy: 0.6836812302798992
Energy: 0.615008154128491
Energy: 0.7834297766485107
Energy: 0.615008154118033
Energy: 0.6524515074745632
Energy: 0.5984564986199359
Energy: 0.6015676437671249
Energy: 0.5984564986230876
Energy: 0.5364264818985491
Energy: 0.7080164038462533
Energy: 0.5366408880905081
Energy: 0.7080164038452027
Energy: 0.5499351342943707
Energy: 0.5929335591844073
Energy: 0.5443473226394728
Energy: 0.5929335591875591
Energy: 0.5498466162704865
Energy: 0.5774872744104805
Energy: 0.5646759278684248
Energy: 0.5774872744157336
Energy: 0.5399180239909961
Energy: 0.583992496019426
Energy: 0.5608817166238829
Energy: 0.583992496024679
Energy: 0.5562355809406512
Energy: 0.5635503799623501
Energy: 0.674302657592514
Energy: 0.5635503799655018
Energy: 0.5603234540987447
Energy: 0.5789451173590372
Energy: 0.5407168212226386
Energy: 0.5789451173548349
Energy: 0.563861253324768
Energy: 0.5776990335656391
Energy: 0.5821922561587956
Energy: 0.5776990335656391
Energy: 0.6622398433069473
Energy: 0.5137653522803329
Energy: 0.5255440145478562
Energy: 0.5137653522834846
Energy: 0.5727604509524485
Energy: 0.6008613460012033
Energy: 0.6557023420306748
Energy: 0.6008613460075067
Energy: 0.6276770679751655
Energy: 0.598298015833137
Energy: 0.6261815122890654
Energy: 0.5982980158341876
Energy: 0.617530372769273
Energy: 0.6374676358743859
Energy: 0.5797919928273725
Energy: 0.6374676358733353
Energy: 0.587829921331975
Energy: 0.6010436476149865
Energy: 0.6404445465277236
Energy: 0.6010436476170877
Energy: 0.5423442497420682
Energy: 0.5510156334936004
Energy: 0.5513725031014304
Energy: 0.5510156334925498
Energy: 0.5801147259511009
Energy: 0.6016016758639657
Energy: 0.5939253242746746
Energy: 0.6016016758660669
Energy: 0.5873706836483636
Energy: 0.601364161143601
Energy: 0.5637979725152732
Energy: 0.6013641611415
Energy: 0.5537879895411533
Energy: 0.5908623767156629
Energy: 0.6870203923947403
Energy: 0.5908623767198652
Energy: 0.6344006236593817
Energy: 0.5645763976292563
Energy: 0.5768947622647971
Energy: 0.5645763976303069
Energy: 0.5231590722662071
Energy: 0.565582758949601
Energy: 0.5658439294604832
Energy: 0.565582758949601
Energy: 0.5988968715295377
Energy: 0.5765724904143468
Energy: 0.5417773676513192
Energy: 0.5765724904069927
Energy: 0.5536550436932244
Energy: 0.6042174168914995
Energy: 0.5482475610864808
Energy: 0.6042174168914995
Energy: 0.6102421437221736
Energy: 0.607730743354292
Energy: 0.5659039314980282
Energy: 0.607730743361646
Energy: 0.561963908597108
Energy: 0.6079991098718993
Energy: 0.5725107449302868
Energy: 0.6079991098708487
Energy: 0.5870148703457999
Energy: 0.6462696655912544
Energy: 0.5777782425609636
Energy: 0.6462696655944061
Energy: 0.5936013777639009
Energy: 0.6132224432791502
Energy: 0.6114501232858548
Energy: 0.6132224432780996
Energy: 0.5352775473176913
Energy: 0.539895563963852
Energy: 0.6900589126853185
Energy: 0.539895563963852
Energy: 0.5383346141258043
Energy: 0.6086978658412573
Energy: 0.5931846551838056
Energy: 0.6086978658423077
Energy: 0.5392266865148647
Energy: 0.6340590081431771
Energy: 0.5775289184084255
Energy: 0.6340590081400255
Energy: 0.6427450941823266
Energy: 0.537428477329358
Energy: 0.5578749100193316
Energy: 0.5374284773272567
Energy: 0.5540092531773213
Energy: 0.568597145523352
Energy: 0.5323622027180885
Energy: 0.5685971455202004
Energy: 0.5724025556902171
Energy: 0.5712746210847635
Energy: 0.526202158293777
Energy: 0.5712746210868647
Energy: 0.6735185335369622
Energy: 0.5926970377297764
Energy: 0.5624501200541779
Energy: 0.5926970377329281
Energy: 0.546902074746718
Energy: 0.6130029470777404
Energy: 0.5525501678708276
Energy: 0.6130029470818951
Energy: 0.5473976745645154
Energy: 0.5990190231268916
Energy: 0.5840736075140419
Energy: 0.5990190231205881
Energy: 0.5437952886097714
Energy: 0.5450085764654132
Energy: 0.6828408387368283
Energy: 0.5450085764664638
Energy: 0.6178170384980548
Energy: 0.6133671120130382
Energy: 0.5833817247222849
Energy: 0.6133671120140888
Energy: 0.5889671945557674
Energy: 0.6117278664488366
Energy: 0.6212951104109802
Energy: 0.611727866447786

minimum gb energy = 0.5137653522803329 eV
minimum distance =  2.28324285534966 Angstroms
sigma value = 89


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

Energy: 1.0056180402766866
Energy: 0.49997358813058035
Energy: 0.6830019999810939
Energy: 0.49997358809840614
Energy: 0.6695536974141503
Energy: 0.609149438240186
Energy: 0.5214764352481003
Energy: 0.6091494382412793
Energy: 0.5827044867297301
Energy: 0.6068862947560943
Energy: 0.5232305069028399
Energy: 0.6068862947558133
Energy: 0.5856644457444284
Energy: 0.5355453066233266
Energy: 0.5185402954451268
Energy: 0.5355453066227642
Energy: 0.5365027177067662
Energy: 0.5801131817276012
Energy: 0.553085223788734
Energy: 0.5801131817196357
Energy: 0.5341393643339318
Energy: 0.5984666931836861
Energy: 0.5142994128640064
Energy: 0.5984666931831238
Energy: 0.5237855883210168
Energy: 0.5492043476733742
Energy: 0.6920538999439234
Energy: 0.5492043476714374
Energy: 0.5523549408540379
Energy: 0.5908170279943215
Energy: 0.5133940202327462
Energy: 0.5908170279940402
Energy: 0.5640832799409606
Energy: 0.5722478982396375
Energy: 0.5184058992929175
Energy: 0.572247898241012
Energy: 0.5669124638829399
Energy: 0.5133117234250191
Energy: 0.5118866519777432
Energy: 0.5133117234156793
Energy: 0.5627434084278982
Energy: 0.6093060649182389
Energy: 0.5802855364659982
Energy: 0.6093060649182389
Energy: 0.5533440398017374
Energy: 0.6067032744182653
Energy: 0.5411193950166621
Energy: 0.6067032744196397
Energy: 0.5540299368215632
Energy: 0.5490592411771777
Energy: 0.5403695521775721
Energy: 0.5490592411793643
Energy: 0.5816438206368667
Energy: 0.6117927256405511
Energy: 0.609748745085995
Energy: 0.6117927256408323
Energy: 0.5692146056169562
Energy: 0.5444326918120439
Energy: 0.5464337804682443
Energy: 0.5444326918134182

minimum gb energy = 0.49997358809840614 eV
minimum distance =  2.24969947134513 Angstroms
sigma value = 13


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

Energy: 0.6159617731825683
Energy: 0.5892792346028181
Energy: 0.7360515632416367
Energy: 0.5892792346120352
Energy: 0.7252520611556662
Energy: 0.6894318537845935
Energy: 0.5711562999896692
Energy: 0.6894318537857456
Energy: 0.591585316064917
Energy: 0.6946618258460043
Energy: 0.5387768348205917
Energy: 0.6946618258460043
Energy: 0.632693889604043
Energy: 0.5886238032273949
Energy: 0.535382593994461
Energy: 0.5886238032250907
Energy: 0.5896025869077312
Energy: 0.6353656013073278
Energy: 0.6051396506793935
Energy: 0.63536560130848
Energy: 0.529723936622785
Energy: 0.635234576859893
Energy: 0.5675591460315796
Energy: 0.635234576859893
Energy: 0.5136212617911388
Energy: 0.5606689952805335
Energy: 0.5784009290562163
Energy: 0.5606689952828378
Energy: 0.567022196759771
Energy: 0.5756280202075239
Energy: 0.5135365121050257
Energy: 0.5756280202075239
Energy: 0.5239729022150906
Energy: 0.5899802878986733
Energy: 0.5096736158568975
Energy: 0.5899802878975212
Energy: 0.5216149555436025
Energy: 0.5824012520403161
Energy: 0.5361337766815016
Energy: 0.5824012520403161
Energy: 0.5468014143716584
Energy: 0.6310043334520555
Energy: 0.590986761724508
Energy: 0.6310043334509033
Energy: 0.6010369380382194
Energy: 0.6410408988599433
Energy: 0.5937989708667744
Energy: 0.6410408988587911
Energy: 0.6017372373242125
Energy: 0.5555955765217953
Energy: 0.5931208191828019
Energy: 0.5555955765206432
Energy: 0.7258927904069513
Energy: 0.6873940425123903
Energy: 0.6228457444321844
Energy: 0.687394042511238
Energy: 0.5786474590266376
Energy: 0.6148751044066265
Energy: 0.6077204250096466
Energy: 0.6148751044077787
Energy: 0.5809073319085295
Energy: 0.7116092857803339
Energy: 0.5889836210885626
Energy: 0.7116092857814861
Energy: 0.6755209068743506
Energy: 0.6876379231345001
Energy: 0.7229512582025129
Energy: 0.6876379231368044
Energy: 0.613126606602445
Energy: 0.5829865496514582
Energy: 0.6113856812029597
Energy: 0.582986549649154
Energy: 0.596123575421926
Energy: 0.6897703940533916
Energy: 0.638950899173944
Energy: 0.6897703940533916
Energy: 0.5901653892251616
Energy: 0.6890079600484631
Energy: 0.6496664554240715
Energy: 0.6890079600484631
Energy: 0.5899545734929698
Energy: 0.5887464494392683
Energy: 0.6422309819000938
Energy: 0.5887464494415726
Energy: 0.5889836236486357
Energy: 0.6386505659235063
Energy: 0.5515507390471924
Energy: 0.6386505659235063
Energy: 0.5634883784069337
Energy: 0.6316433795197133
Energy: 0.5291952298546413
Energy: 0.6316433795197133
Energy: 0.5299276884639876
Energy: 0.6065327496753784
Energy: 0.4990338580364137
Energy: 0.606532749671922
Energy: 0.5142929886950723
Energy: 0.5768135167847569
Energy: 0.5659241685278873
Energy: 0.5768135167847569
Energy: 0.505413514054012
Energy: 0.5850045944281943
Energy: 0.5217150939296399
Energy: 0.5850045944293464
Energy: 0.5160794826439286
Energy: 0.5716132473698621
Energy: 0.5117689926216732
Energy: 0.5716132473698621
Energy: 0.5443614887146189
Energy: 0.6331218151403013
Energy: 0.5255188719543222
Energy: 0.6331218151414535
Energy: 0.6151288434167016
Energy: 0.6382390733946255
Energy: 0.6006428868828567
Energy: 0.6382390733969298
Energy: 0.5008751732846475
Energy: 0.5832209203858927
Energy: 0.5865528762862838
Energy: 0.5832209203847406
Energy: 0.6008815322699702
Energy: 0.6872880290765482
Energy: 0.5922970276374508
Energy: 0.6872880290765482
Energy: 0.6361604885286881
Energy: 0.7002277393482343
Energy: 0.5907659670189603
Energy: 0.70022773934593
Energy: 0.5965769954026341
Energy: 0.520282520178674
Energy: 0.5779394768483498
Energy: 0.5202825202155428
Energy: 0.7199913721806102
Energy: 0.686426443549445
Energy: 0.7235382835518442
Energy: 0.686426443549445
Energy: 0.6362846763571337
Energy: 0.5330317895862701
Energy: 0.6578101670937376
Energy: 0.5330317895828137

minimum gb energy = 0.4990338580364137 eV
minimum distance =  2.29034071157925 Angstroms
sigma value = 37


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

Energy: 0.6566175677926664
Energy: 0.62914831516755
Energy: 0.6616657192642518
Energy: 0.6291483151671671
Energy: 0.7023840859951778
Energy: 0.6878347648992172
Energy: 0.5564815870005496
Energy: 0.6878347648984063
Energy: 0.5348721339918129
Energy: 0.691466316704368
Energy: 0.5518016739186387
Energy: 0.691466316703985
Energy: 0.6085786150264302
Energy: 0.5722601043674032
Energy: 0.580789261198289
Energy: 0.5722601043689799
Energy: 0.510191536675672
Energy: 0.6249155206611035
Energy: 0.5778094207801662
Energy: 0.6249155206609006
Energy: 0.45782970151501134
Energy: 0.6255744266841224
Energy: 0.5425835077562777
Energy: 0.6255744266839197
Energy: 0.4579916336971297
Energy: 0.5701499337226184
Energy: 0.5438402222010473
Energy: 0.5701499337220101
Energy: 0.5230801088062123
Energy: 0.5658274671378779
Energy: 0.4929761987817651
Energy: 0.565827467138486
Energy: 0.48270110679571204
Energy: 0.5778323300235811
Energy: 0.4818420210838629
Energy: 0.5778323300237838
Energy: 0.48181170403486695
Energy: 0.5845783321011626
Energy: 0.48724142719042896
Energy: 0.5845783321017483
Energy: 0.49547676167253335
Energy: 0.5618733549528988
Energy: 0.5272887902252751
Energy: 0.5618733549532817
Energy: 0.5333935603336332
Energy: 0.5644027928632199
Energy: 0.5085980850639333
Energy: 0.5644027928626343
Energy: 0.49636389129557795
Energy: 0.5248106360142775
Energy: 0.5250013225982566
Energy: 0.5248106360164623
Energy: 0.5783026445073468
Energy: 0.631835869697297
Energy: 0.5535810580583325
Energy: 0.6318358696965085
Energy: 0.5170193719807912
Energy: 0.5777275861391629
Energy: 0.5683429314026116
Energy: 0.5777275861296572
Energy: 0.5866315541110014
Energy: 0.7052605475235085
Energy: 0.5934181485861239
Energy: 0.7052605475225174
Energy: 0.5430445686507436
Energy: 0.6831532135165184
Energy: 0.6337322251467079
Energy: 0.6831532135178925
Energy: 0.5757670456863747
Energy: 0.575762555440367
Energy: 0.5910938658001949
Energy: 0.5757625554387676
Energy: 0.5352766232775725
Energy: 0.6884834145328256
Energy: 0.5914229630899606
Energy: 0.6884834145328256
Energy: 0.6174727387982453
Energy: 0.6876966692616537
Energy: 0.5593018732582492
Energy: 0.6876966692628474

minimum gb energy = 0.45782970151501134 eV
minimum distance =  2.28946111837909 Angstroms
sigma value = 25


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

Energy: 0.6094647925293779
Energy: 0.5649743789436575
Energy: 0.6370040604208572
Energy: 0.5649743789436575
Energy: 0.6700294012509983
Energy: 0.7041475951012933
Energy: 0.5571237462293354
Energy: 0.7041475950997454
Energy: 0.5127085417392921
Energy: 0.7102494085047111
Energy: 0.5872348094493596
Energy: 0.7102494085047111
Energy: 0.5708450081883313
Energy: 0.5120463387730424
Energy: 0.5261791746323893
Energy: 0.5120463387714945
Energy: 0.5248292650170604
Energy: 0.6471895776042771
Energy: 0.571356640562317
Energy: 0.6471895776027293
Energy: 0.528734013296116
Energy: 0.642962008573071
Energy: 0.5232014409817367
Energy: 0.6429620085699752
Energy: 0.5386081345525155
Energy: 0.4797696154960841
Energy: 0.5487877495495442
Energy: 0.4797696154914405
Energy: 0.5261264585014175
Energy: 0.5739027214990565
Energy: 0.4710072247493855
Energy: 0.5739027214990565
Energy: 0.4807058709247108
Energy: 0.5618668012214835
Energy: 0.517062569765416
Energy: 0.5618668012245792
Energy: 0.513066388032322
Energy: 0.5568649146187709
Energy: 0.5121558778397117
Energy: 0.5568649146218666
Energy: 0.45923609532310206
Energy: 0.5382206292242945
Energy: 0.5158075181691163
Energy: 0.5382206292258424
Energy: 0.4956000065805528
Energy: 0.5578989313481175
Energy: 0.4968478760460672
Energy: 0.5578989313496654
Energy: 0.4792754886528706
Energy: 0.5459399204669813
Energy: 0.4969622347757369
Energy: 0.5459399204638855
Energy: 0.5028452003427748
Energy: 0.5507842421520128
Energy: 0.46167910456789846
Energy: 0.5507842421520128
Energy: 0.509595403172361
Energy: 0.5882744369082414
Energy: 0.5068193856149514
Energy: 0.5882744369113371
Energy: 0.5189567880031912
Energy: 0.5701743131014937
Energy: 0.5138164445060555
Energy: 0.5701743131045894
Energy: 0.4969664421705964
Energy: 0.590494489798625
Energy: 0.5440873008809886
Energy: 0.5904944898001728
Energy: 0.592980537853411
Energy: 0.5734698641157057
Energy: 0.5533244930202416
Energy: 0.5734698641126099
Energy: 0.558205548508692
Energy: 0.654277255916658
Energy: 0.546163636380565
Energy: 0.6542772559181707
Energy: 0.5768286390582745
Energy: 0.647669665853833
Energy: 0.5331600012376162
Energy: 0.6476696658523203
Energy: 0.5676495166314206
Energy: 0.5338211391952723
Energy: 0.5474922945744276
Energy: 0.5338211391952723
Energy: 0.577253853757167
Energy: 0.6993380417616829
Energy: 0.5730130297577379
Energy: 0.699338041760135
Energy: 0.546854260483489
Energy: 0.6827960828049602
Energy: 0.6026360802437214
Energy: 0.6827960828034123
Energy: 0.5097718983444454
Energy: 0.5460922039395494
Energy: 0.6270013144392719
Energy: 0.5460922039380015
Energy: 0.643985685449748
Energy: 0.6942678968522421
Energy: 0.6565909752528469
Energy: 0.6942678968290242
Energy: 0.6007689602564187
Energy: 0.6203894887407045
Energy: 0.5636909589399041
Energy: 0.6203894887422524

minimum gb energy = 0.45923609532310206 eV
minimum distance =  2.28644310671202 Angstroms
sigma value = 41


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

Energy: 0.6407887854117152
Energy: 0.6251848510582768
Energy: 0.6459021753128519
Energy: 0.6251848510620838
Energy: 0.6267384544108165
Energy: 0.6618564786458258
Energy: 0.5645349998377271
Energy: 0.6618564786470947
Energy: 0.5392890569055453
Energy: 0.6944894341418547
Energy: 0.5620820804755124
Energy: 0.6944894341443927
Energy: 0.5796001231170418
Energy: 0.4958184458665458
Energy: 0.5610760978678655
Energy: 0.49581844586527674
Energy: 0.5255852440259752
Energy: 0.6234786731201751
Energy: 0.5518692172786033
Energy: 0.6234786731214441
Energy: 0.526278191287329
Energy: 0.6329588030913419
Energy: 0.5381565263668003
Energy: 0.6329588030875349
Energy: 0.5674869671394971
Energy: 0.482193091202822
Energy: 0.5488840088857089
Energy: 0.48219309119774606
Energy: 0.5196551010616907
Energy: 0.5846587293262077
Energy: 0.4946094410298135
Energy: 0.5846587293262077
Energy: 0.48537253725413887
Energy: 0.5773370368907148
Energy: 0.5124896592713057
Energy: 0.577337036885639
Energy: 0.46641178898164326
Energy: 0.5625833664453846
Energy: 0.51222335469826
Energy: 0.5625833664428467
Energy: 0.4706484597916613
Energy: 0.5437912265833392
Energy: 0.5204551156800723
Energy: 0.5437912265782632
Energy: 0.5139163813310956
Energy: 0.4670551097878434
Energy: 0.4597897442941
Energy: 0.4670551097878434
Energy: 0.5022928884563352
Energy: 0.5369352542208009
Energy: 0.4551302467579981
Energy: 0.5369352542296838
Energy: 0.4929590945645498
Energy: 0.5348449965021298
Energy: 0.48496076933084037
Energy: 0.5348449965021298
Energy: 0.5177452832759538
Energy: 0.5538717261645371
Energy: 0.5053360899963512
Energy: 0.5538717261658062
Energy: 0.49366947950745044
Energy: 0.5391561224045783
Energy: 0.5001923853611062
Energy: 0.5391561224020404
Energy: 0.4665002063528923
Energy: 0.5375361205555274
Energy: 0.5031972914874222
Energy: 0.5375361205529894
Energy: 0.5287385054435741
Energy: 0.5505590231394272
Energy: 0.5443893458773833
Energy: 0.5505590231406963
Energy: 0.4955160815961948
Energy: 0.544184254541579
Energy: 0.5115243327483858
Energy: 0.5441842545390411
Energy: 0.5115160319404616
Energy: 0.5419630578370699
Energy: 0.46063563948861036
Energy: 0.5419630578396079
Energy: 0.5304477793914133
Energy: 0.5413918289208339
Energy: 0.48460409145405015
Energy: 0.541391828919565
Energy: 0.5092584870520511
Energy: 0.5683024291781298
Energy: 0.5409281329064695
Energy: 0.5683024291717849
Energy: 0.48219031423864883
Energy: 0.6001263486707331
Energy: 0.537900665919314
Energy: 0.6001263486720021
Energy: 0.5419377518522179
Energy: 0.5687928114191109
Energy: 0.5492133747131193
Energy: 0.568792811424187
Energy: 0.5557853820066192
Energy: 0.6341931830220289
Energy: 0.5189571936816925
Energy: 0.6341931830232979
Energy: 0.5423435501143709
Energy: 0.5799314529985896
Energy: 0.5079048001746366
Energy: 0.5799314529998586
Energy: 0.5417605597005629
Energy: 0.5112258885256947
Energy: 0.5256803673425955
Energy: 0.5112258885269637
Energy: 0.5519983893025773
Energy: 0.6711960468784879
Energy: 0.6323365703278268
Energy: 0.6711960468784879
Energy: 0.5328005536473193
Energy: 0.5133822259413823
Energy: 0.566788475401113
Energy: 0.5133822259363063
Energy: 0.4937842827005967
Energy: 0.5008470091947866
Energy: 0.543865864173902
Energy: 0.5008470091960555
Energy: 0.6282986463929432
Energy: 0.6702302346631522
Energy: 0.6293595843095389
Energy: 0.6702302346606142
Energy: 0.5649963551093606
Energy: 0.4997642745232116
Energy: 0.5555373197188176
Energy: 0.4997642745206735

minimum gb energy = 0.4551302467579981 eV
minimum distance =  2.31689908635459 Angstroms
sigma value = 15


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

Energy: 0.5592025813673677
Energy: 0.5760358822970203
Energy: 0.6090869911315302
Energy: 0.576035882160591
Energy: 0.6143695534855627
Energy: 0.6848925175386783
Energy: 0.5525231617576283
Energy: 0.6848925175408284
Energy: 0.5225053195608937
Energy: 0.6027809251331578
Energy: 0.5540130100508467
Energy: 0.6027809251310079
Energy: 0.5131024746401813
Energy: 0.49814619075546474
Energy: 0.4917280280854976
Energy: 0.4981461908049154
Energy: 0.5059607088910983
Energy: 0.5995823791147329
Energy: 0.5219810776337014
Energy: 0.5995823791179579
Energy: 0.5053811381584228
Energy: 0.6284038611881331
Energy: 0.49882260246556015
Energy: 0.6284038611881331
Energy: 0.5483258082147789
Energy: 0.47469904906102195
Energy: 0.4713682529546459
Energy: 0.474699049063172
Energy: 0.5069248802731503
Energy: 0.5811948538857482
Energy: 0.4966054050686103
Energy: 0.5811948538846732
Energy: 0.48412671130025936
Energy: 0.5201918476588269
Energy: 0.5179324505161219
Energy: 0.5201918476609769
Energy: 0.47315659916059466
Energy: 0.5485652481033223
Energy: 0.5245300458017427
Energy: 0.5485652481022473
Energy: 0.46876863213592507
Energy: 0.5502230840952128
Energy: 0.49720596173418063
Energy: 0.5502230840898377
Energy: 0.5152654030121193
Energy: 0.5198631638570306
Energy: 0.45338591533842787
Energy: 0.5198631638613306
Energy: 0.5025842279339887
Energy: 0.551858299986389
Energy: 0.4545310462100822
Energy: 0.551858299985314
Energy: 0.4831316399109437
Energy: 0.5323678841356926
Energy: 0.4823621746067222
Energy: 0.5323678841367676
Energy: 0.4891424033684348
Energy: 0.5443939814536687
Energy: 0.512507062805315
Energy: 0.5443939814525937
Energy: 0.46265674001809104
Energy: 0.5341695204198215
Energy: 0.4784467909998915
Energy: 0.5341695204133714
Energy: 0.4917731217858738
Energy: 0.5276939461453403
Energy: 0.47480330386124203
Energy: 0.5276939461453403
Energy: 0.5159156914030004
Energy: 0.5244362321582603
Energy: 0.5057277489838226
Energy: 0.5244362321539602
Energy: 0.4797150607527404
Energy: 0.5287096927202148
Energy: 0.48003842861333135
Energy: 0.5287096927169899
Energy: 0.4719197227236179
Energy: 0.5291726045521331
Energy: 0.45523153916932485
Energy: 0.529172604551058
Energy: 0.5033100299150248
Energy: 0.5287357870370762
Energy: 0.4791101562618239
Energy: 0.5287357870392262
Energy: 0.4584340883474594
Energy: 0.5323205273873712
Energy: 0.48250271340481726
Energy: 0.5323205273873712
Energy: 0.4492279054810068
Energy: 0.52104042214651
Energy: 0.4922046033507072
Energy: 0.52104042214651
Energy: 0.46663177887726126
Energy: 0.5290009185761451
Energy: 0.5160757792094666
Energy: 0.52900091856862
Energy: 0.48866827389001594
Energy: 0.541716476844097
Energy: 0.4848810694027265
Energy: 0.5417164768430219
Energy: 0.5095476335001862
Energy: 0.5599440549472899
Energy: 0.45940452989610586
Energy: 0.5599440549472899
Energy: 0.5156038558267269
Energy: 0.5140396777533895
Energy: 0.48524316899679076
Energy: 0.5140396777576897
Energy: 0.49302646030223946
Energy: 0.5907333754773572
Energy: 0.5074432336688729
Energy: 0.5907333754816573
Energy: 0.49381014042792704
Energy: 0.4697824460786728
Energy: 0.5362732153896995
Energy: 0.46978244607437275
Energy: 0.5026451723420141
Energy: 0.5780098787223859
Energy: 0.5345036128665844
Energy: 0.5780098787234608
Energy: 0.5357929831823486
Energy: 0.624241564153437
Energy: 0.5171594509263336
Energy: 0.624241564154512
Energy: 0.5518457462088128
Energy: 0.4751436187166474
Energy: 0.5313670415631044
Energy: 0.4751436187155723
Energy: 0.5395982822755911
Energy: 0.635815077898355
Energy: 0.518513498172447
Energy: 0.63581507789728
Energy: 0.5618505600603771
Energy: 0.6436066163529711
Energy: 0.5969139983796554
Energy: 0.6436066163529711
Energy: 0.6123643927541808
Energy: 0.5348370013606424
Energy: 0.5241710559820582
Energy: 0.5348370013574172
Energy: 0.5238290372624056
Energy: 0.7026403364011978
Energy: 0.5709711130450599
Energy: 0.7026403364065729
Energy: 0.5648696125038604
Energy: 0.6426627470929889
Energy: 0.564591564968091
Energy: 0.642662747095139

minimum gb energy = 0.4492279054810068 eV
minimum distance =  2.25774772246505 Angstroms
sigma value = 85


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

Energy: 0.5570799667553248
Energy: 0.5018598034731195
Energy: 0.5058576384914525
Energy: 0.5018598034749843
Energy: 0.5479853661966474
Energy: 0.6171788688309413
Energy: 0.49337591339611314
Energy: 0.6171788688290766
Energy: 0.46790616955728165
Energy: 0.5566620509826699
Energy: 0.468183214495032
Energy: 0.5566620509770757
Energy: 0.4494715672857645
Energy: 0.43585915806869663
Energy: 0.5056723473471284
Energy: 0.43585915806962894
Energy: 0.4680227963629129
Energy: 0.5549273113737377
Energy: 0.4959506631718094
Energy: 0.5549273113718729
Energy: 0.4763925827774381
Energy: 0.5570188236991839
Energy: 0.4174925361206069
Energy: 0.5570188237010487
Energy: 0.5023580881145401
Energy: 0.4269055064400572
Energy: 0.42621174074483587
Energy: 0.42690550643912484
Energy: 0.4584313317636694
Energy: 0.5492345273947928
Energy: 0.4670943488969731
Energy: 0.5492345273947928
Energy: 0.426123722443343
Energy: 0.4427327599254598
Energy: 0.45969122102928617
Energy: 0.44273275992918926
Energy: 0.41510122420526413
Energy: 0.4658903517890918
Energy: 0.4807660761624445
Energy: 0.46589035179002414
Energy: 0.43151895445448907
Energy: 0.5095580534444134
Energy: 0.43863723990822767
Energy: 0.5095580534406841
Energy: 0.46374752331194474
Energy: 0.4514722466694364
Energy: 0.4030011949332054
Energy: 0.451472246665707
Energy: 0.44561080447117457
Energy: 0.5019462781112536
Energy: 0.4372960788900326
Energy: 0.5019462781131184
Energy: 0.42558923028704726
Energy: 0.5101884145612016
Energy: 0.45261565489504574
Energy: 0.5101884145621339
Energy: 0.43244090649030076
Energy: 0.486928724653297
Energy: 0.46042297146187283
Energy: 0.4869287246542294
Energy: 0.42303589568799754
Energy: 0.49222786947135955
Energy: 0.42507129270568744
Energy: 0.49222786947415664
Energy: 0.4342678449108505
Energy: 0.4918712848081449
Energy: 0.42553236484153273
Energy: 0.49187128481187437
Energy: 0.47014598345152375
Energy: 0.4887598187130663
Energy: 0.43426446873781505
Energy: 0.48875981871493107
Energy: 0.4370927011523076
Energy: 0.49929297509506493
Energy: 0.43000758767676867
Energy: 0.4992929750959973
Energy: 0.42316737575492297
Energy: 0.5014568640775986
Energy: 0.4362726954646604
Energy: 0.5014568640869222
Energy: 0.4567575836025603
Energy: 0.4856825895769968
Energy: 0.4469687159748807
Energy: 0.4856825895760644
Energy: 0.424247520794581
Energy: 0.5013256829202373
Energy: 0.4234557355186738
Energy: 0.5013256829183725
Energy: 0.43709323326717137
Energy: 0.5033843854274607
Energy: 0.42812136720206323
Energy: 0.5033843854246637
Energy: 0.430477105149124
Energy: 0.45665211292106866
Energy: 0.4609282521910844
Energy: 0.45665211292200103
Energy: 0.43246772217926155
Energy: 0.49134689675108095
Energy: 0.4223259528188978
Energy: 0.4913468967520133
Energy: 0.4349123019471886
Energy: 0.4922889070133779
Energy: 0.4111708134947768
Energy: 0.49228890701244554
Energy: 0.46169919760098455
Energy: 0.4695838535817044
Energy: 0.41353402424588837
Energy: 0.4695838535779749
Energy: 0.427624569568636
Energy: 0.5017463950261662
Energy: 0.4339110651972713
Energy: 0.5017463950243015
Energy: 0.4335627926987913
Energy: 0.46864787468279046
Energy: 0.4710210390811792
Energy: 0.46864787468092567
Energy: 0.4070995151110396
Energy: 0.5017942560860615
Energy: 0.4645663177973183
Energy: 0.5017942560860615
Energy: 0.44708843961584693
Energy: 0.5091059368283529
Energy: 0.4361867108927595
Energy: 0.5091059368264882
Energy: 0.490375026751099
Energy: 0.4302301129517216
Energy: 0.4216981017526184
Energy: 0.4302301129517216
Energy: 0.44665031446187764
Energy: 0.535196961516289
Energy: 0.44143618313524235
Energy: 0.5351969614967308
Energy: 0.4567180597442019
Energy: 0.5346087567925534
Energy: 0.471587873578963
Energy: 0.5346087567925534
Energy: 0.46309166900917476
Energy: 0.47092427137531495
Energy: 0.500679752358296
Energy: 0.47092427137438264
Energy: 0.5079482826794723
Energy: 0.5667450740709365
Energy: 0.463237727638008
Energy: 0.5667450740728012
Energy: 0.46886779982702237
Energy: 0.5945449911209642
Energy: 0.4637169389740887
Energy: 0.5945449911200317
Energy: 0.5009273092663902
Energy: 0.44124539357478715
Energy: 0.46190936273630384
Energy: 0.4412453935757195
Energy: 0.48600616202229535
Energy: 0.5814737861889414
Energy: 0.5596902255053718
Energy: 0.5814737861917384
Energy: 0.484435938561692
Energy: 0.4386448925439178
Energy: 0.5033120757590523
Energy: 0.43864489254578254
Energy: 0.4400593549715828
Energy: 0.46002874877841715
Energy: 0.523529447093339
Energy: 0.4600287487774848
Energy: 0.5049084884998963
Energy: 0.6060233284174751
Energy: 0.5497535410285374
Energy: 0.6060233284081515
Energy: 0.5018834890093535
Energy: 0.4345256548762317
Energy: 0.43026131987656385
Energy: 0.43452565487156997

minimum gb energy = 0.4030011949332054 eV
minimum distance =  2.26737984091556 Angstroms
sigma value = 113


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

Energy: 0.014181617362846002
Energy: 0.09168462903378431
Energy: 0.41441506414554746
Energy: 0.09168462903446124
Energy: 0.16098453975751864
Energy: 0.27700279697698094
Energy: 0.22016364548186146
Energy: 0.27700279697698094
Energy: 0.2174271238016753
Energy: 0.29935804124963883
Energy: 0.014649697650782147
Energy: 0.2993580420048168
Energy: 0.16446419976969306
Energy: 0.09336859598284257
Energy: 0.0157769284912206
Energy: 0.09336859597722802
Energy: 0.21678372292200876
Energy: 0.27657096578299134
Energy: 0.16643113064460419
Energy: 0.2765709657780936
Energy: 0.014549266064139105
Energy: 0.2991792522161178
Energy: 0.22097755835624697
Energy: 0.29918100823663163

minimum gb energy = 0.014181617362846002 eV
minimum distance =  2.35734559093927 Angstroms
sigma value = 1