Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
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=2.855312585830688
cohesive_energy=4.013297914458148
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=[1.28468931220656e-19, 2.13235290395694e-19, 2.82981243626982e-19, 3.44538472081896e-19, 3.9416749549667997e-19, 4.3340480126333994e-19, 4.644790170797699e-19, 4.8980141878014e-19, 5.11546160056788e-19, 5.310029931000839e-19, 5.4859168818813595e-19, 5.6435870844333e-19, 5.78328086515176e-19, 5.9057192035220395e-19, 6.0120877102533e-19, 6.10400458374588e-19, 6.182879739437699e-19, 6.249994918635959e-19, 6.30611916612498e-19, 6.351572917231559e-19, 6.386404237254719e-19, 6.410773343857859e-19, 6.424952607068759e-19, 6.429502788709319e-19, 6.424712280573659e-19, 6.40952364608334e-19, 6.38268718746384e-19, 6.342744923978219e-19, 6.28793446132908e-19, 6.216221035191239e-19, 6.1252814894454e-19, 6.01242416734644e-19, 5.87471708565414e-19, 5.705367015440339e-19, 5.49139632596964e-19, 5.217504230387339e-19, 4.86305469364752e-19, 4.40947848856212e-19, 3.8431410919757993e-19, 3.14641856091456e-19, 2.2907120424615e-19, 1.206233926792848e-19, -3.24435961855098e-20, -2.6284028116096796e-19, -6.3238712832297e-19, -1.2523461724960019e-18, -2.3323365914128198e-18, -4.32190351374768e-18, -8.31436746801228e-18, -1.71346382299764e-17, -3.8891075396052596e-17, -1.0020108799634038e-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: 0.012404571033821652
Energy: 0.9400968157531887
Energy: 1.6627956479901722
Energy: 0.9400968157531887
Energy: 0.9400968157522113
Energy: 0.21446710202933694
Energy: 0.9395646453636682
Energy: 0.21446710202933694
Energy: 1.6627956479862347
Energy: 0.9395646453636682
Energy: 1.2682417947832336
Energy: 0.9395646453626627
Energy: 0.9400968157531887
Energy: 0.21446710202933694
Energy: 0.9395646453626627
Energy: 0.21446710202933694

minimum gb energy = 0.012404571033821652 eV
minimum distance =  2.43119834259973 Angstroms
sigma value = 1


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

Energy: 2.001517786830203
Energy: 0.8976690489897504
Energy: 0.8981537434272115
Energy: 0.8976690491274757
Energy: 1.7694114821160256
Energy: 0.965719092140425
Energy: 0.9690536058621404
Energy: 0.9657190921416442
Energy: 1.7824315003198694
Energy: 0.8995607939223559
Energy: 0.8995825266591996
Energy: 0.8995607939174787
Energy: 1.7746996333948004
Energy: 0.9258532366018725
Energy: 0.898830110006867
Energy: 0.9258532365969953
Energy: 1.8504458575757325
Energy: 0.8979825326773844
Energy: 1.2950104993509248
Energy: 0.8979825326822616
Energy: 1.7761268805206518
Energy: 0.9260205358115492
Energy: 1.2114863925659158
Energy: 0.9260205358091106
Energy: 1.6972324993025356
Energy: 0.8990515679737469
Energy: 1.2277840250240328
Energy: 0.8990515679774048
Energy: 1.5197114983824531
Energy: 0.8977692025118268
Energy: 1.1914136505169217
Energy: 0.8977692025191426
Energy: 1.4545834673204392
Energy: 0.8972571978375125
Energy: 1.1909823920354619
Energy: 0.8972571978350738
Energy: 1.529118613213612
Energy: 0.9634751221079065
Energy: 1.5260218214745833
Energy: 0.9634751221030293
Energy: 1.5155858824493254
Energy: 0.8974023558229995
Energy: 1.4379397531580898
Energy: 0.8974023558205608
Energy: 1.1939578262625306
Energy: 0.8977266885404037
Energy: 1.5258523898231358
Energy: 0.8977266885355266
Energy: 1.2592066422659478
Energy: 0.9005897466929615
Energy: 1.5194624353429422
Energy: 0.9005897466893036
Energy: 1.216648111299633
Energy: 0.9256385239301894
Energy: 1.7766938623418023
Energy: 0.9256385239314087
Energy: 1.22083372159731
Energy: 0.8980391642363773
Energy: 1.5947806632088155
Energy: 0.8980391642375967
Energy: 0.8976304552725848
Energy: 0.9257503956487608
Energy: 1.7803901105120108
Energy: 0.9257503956426646
Energy: 0.8994763508759032
Energy: 0.8990119205700331
Energy: 1.7833647626328986
Energy: 0.8990119205663752
Energy: 0.9672256890226265
Energy: 0.965087346433642
Energy: 1.7670682587722812
Energy: 0.9650873464360806
Energy: 0.8980917619443575
Energy: 0.8980911746957704
Energy: 1.6764016155458623
Energy: 0.8980911746994281
Energy: 1.0129748616142744
Energy: 0.9655484326090142
Energy: 1.766424913429136
Energy: 0.965548432604137
Energy: 1.0064056048763041
Energy: 0.8984852849759531
Energy: 1.7768870056803703
Energy: 0.8984852849722953
Energy: 1.0040809874872425
Energy: 0.8975150627390174
Energy: 1.697974171551749
Energy: 0.8975150627426752
Energy: 1.003237148519783
Energy: 0.8972654298938209
Energy: 1.5154299534106142
Energy: 0.8972654298962595
Energy: 1.358645231682349
Energy: 0.8978565403219426
Energy: 1.6994045728976988
Energy: 0.8978565403219426
Energy: 1.3836680069762788
Energy: 1.050106762390294
Energy: 1.6872907532917003
Energy: 1.0501067623915135
Energy: 1.359060896701083
Energy: 1.157438696668006
Energy: 1.3550954120782133
Energy: 1.1574386966643482
Energy: 1.3588492651422783
Energy: 1.1575408446916298
Energy: 1.4444214431543236
Energy: 1.1575408446928488
Energy: 1.6984626268994498
Energy: 0.899968531822783
Energy: 1.3542968465344807
Energy: 0.8999685318252216
Energy: 1.591349313296995
Energy: 0.8973849429978188
Energy: 1.3646856394602123
Energy: 0.897384942999038
Energy: 1.59165229029901
Energy: 0.8977934193605105
Energy: 1.0055266292437735
Energy: 0.8977934193617297
Energy: 1.6875775813529528
Energy: 0.8980140161557744
Energy: 1.021183683298542
Energy: 0.8980140161508972
Energy: 1.768733955836219
Energy: 0.8989913253446508
Energy: 1.0453762798883814
Energy: 0.8989913253446508
Energy: 1.7663929177314932
Energy: 0.8976818938397949
Energy: 0.9887377929337359
Energy: 0.897681893844672

minimum gb energy = 0.8972571978350738 eV
minimum distance =  2.30774419883817 Angstroms
sigma value = 1


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

Energy: 2.217740547834197
Energy: 0.9324943645815011
Energy: 0.9321875814667282
Energy: 0.9324943645898424
Energy: 1.72780084518874
Energy: 1.0092852103151313
Energy: 1.0088302092439965
Energy: 1.0092852103151313
Energy: 1.7271210670101798
Energy: 0.9321094674048599
Energy: 0.9317426315897357
Energy: 0.9321094674048599
Energy: 1.7147577295130145
Energy: 1.0091804724427553
Energy: 1.012966420035519
Energy: 1.009180472441365
Energy: 1.8680096674174032
Energy: 0.9324759605883237
Energy: 1.0914550060843946
Energy: 0.932475960584153
Energy: 1.7178314027017696
Energy: 1.0091857833908693
Energy: 1.2317243748585855
Energy: 1.009185783389479
Energy: 1.7271091595682226
Energy: 0.9345017289002207
Energy: 1.1567943265916165
Energy: 0.9345017289016108
Energy: 1.5434636086711133
Energy: 1.0870335072709292
Energy: 1.1642710307375497
Energy: 1.0870335072709292
Energy: 1.5297424733287004
Energy: 0.9319823915349068
Energy: 1.162272557431141
Energy: 0.9319823915335166
Energy: 1.5430344972584045
Energy: 1.0120064486715203
Energy: 1.535257860569691
Energy: 1.0120064486715203
Energy: 1.5445589588911939
Energy: 0.9320988209474893
Energy: 1.4860651386956865
Energy: 0.9320988209474893
Energy: 1.154133220119043
Energy: 1.0868621164788366
Energy: 1.3477422587870351
Energy: 1.0868621164774463
Energy: 1.2256877466817784
Energy: 0.9321725796568185
Energy: 1.5356744392452613
Energy: 0.9321725796554284
Energy: 1.2270706863444325
Energy: 0.9322870614458447
Energy: 1.7286522040645727
Energy: 0.9322870614458447
Energy: 1.0437506772527643
Energy: 0.9330399127675049
Energy: 1.7047389319832453
Energy: 0.9330399127661148
Energy: 1.0086577996463353
Energy: 1.0094026634760953
Energy: 1.7159019500352954
Energy: 1.0094026634760953
Energy: 0.9315491592224646
Energy: 0.9322380314641318
Energy: 1.7277908456737405
Energy: 0.9322380314641318
Energy: 1.0121639035638186
Energy: 1.0132832448492683
Energy: 1.715898112032102
Energy: 1.0132832448506586
Energy: 1.0122751760082043
Energy: 0.9325546655195206
Energy: 1.5234636969400808
Energy: 0.9325546655167402
Energy: 1.2345600949678555
Energy: 1.0093660734703358
Energy: 1.7164533347535371
Energy: 1.0093660734703358
Energy: 1.1563180353682865
Energy: 0.9346197174202234
Energy: 1.7274749426035245
Energy: 0.9346197174216136
Energy: 1.161015900214464
Energy: 1.0871117915918433
Energy: 1.5477207769102634
Energy: 1.0871117915904531
Energy: 1.1633292654505318
Energy: 1.0879226227625787
Energy: 1.5287730309705596
Energy: 1.0879226227611882
Energy: 1.5361028266902852
Energy: 1.0123407598453045
Energy: 1.5452027792321759
Energy: 1.0123407598453045
Energy: 1.3487721454187767
Energy: 0.933508597484815
Energy: 1.5445157956089965
Energy: 0.933508597484815
Energy: 1.346307882329426
Energy: 1.0871069251745502
Energy: 1.2270952840399618
Energy: 1.0871069251745502
Energy: 1.5352317355232241
Energy: 0.9319333592492292
Energy: 1.226718515727345
Energy: 0.9319333592492292
Energy: 1.7297480546758768
Energy: 0.9323599518429911
Energy: 1.2289945393091524
Energy: 0.9323599518443815
Energy: 1.718228562080924
Energy: 0.9329864404430381
Energy: 1.152494953924444
Energy: 0.9329864404458186

minimum gb energy = 0.9315491592224646 eV
minimum distance =  2.31751352825582 Angstroms
sigma value = 25


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

Energy: 2.1038754971265647
Energy: 0.9958549739838967
Energy: 0.9984597642261317
Energy: 0.99585496407843
Energy: 1.6388754193725326
Energy: 1.0812690859261935
Energy: 1.116676077033883
Energy: 1.0812690859278096
Energy: 1.6420826101084525
Energy: 0.9970136987707283
Energy: 1.0003488389461606
Energy: 0.9970136987691122
Energy: 1.6414134042546673
Energy: 1.027603091711105
Energy: 1.0282506120714843
Energy: 1.027603091709489
Energy: 1.5524257211827515
Energy: 0.9978403767874119
Energy: 1.4114562496068475
Energy: 0.9978403767712511
Energy: 1.6635287934123393
Energy: 1.0277423446456755
Energy: 1.3732061411690566
Energy: 1.0277423446456755
Energy: 1.642044109159778
Energy: 1.1530205563294837
Energy: 1.3571038249165062
Energy: 1.1530205563278677
Energy: 1.3469244255620174
Energy: 1.2459722628574035
Energy: 1.357364670124543
Energy: 1.2459722628606356
Energy: 1.3568567673274305
Energy: 1.1532093348020644
Energy: 1.3568444273970561
Energy: 1.1532093348052967
Energy: 1.3781874573741535
Energy: 0.9988061352602925
Energy: 1.642718613452071
Energy: 0.9988061352570603
Energy: 1.3100313463322504
Energy: 0.9976981642353995
Energy: 1.6519191698582363
Energy: 0.9976981642353995
Energy: 1.0286652016451563
Energy: 1.0280884758339472
Energy: 1.6527608097611004
Energy: 1.0280884758355635
Energy: 0.9931441361667944
Energy: 0.9946609986461188
Energy: 1.6407443295305222
Energy: 0.9946609986461188
Energy: 1.0772606254695445
Energy: 0.9980216331394198
Energy: 1.6390009147938354
Energy: 0.9980216331394198
Energy: 1.028674740524851
Energy: 0.9987759234974602
Energy: 1.5508842861833025
Energy: 0.9987759235023086
Energy: 1.2445741248019582
Energy: 1.1165619911262261
Energy: 1.639095214995339
Energy: 1.1165619911294582
Energy: 1.1377733661957918
Energy: 0.9978730550763419
Energy: 1.6416448785764548
Energy: 0.997873055077958
Energy: 1.1377287048982632
Energy: 0.9942074657164045
Energy: 1.5465709698505525
Energy: 0.9942074657164045
Energy: 1.2088713299512575
Energy: 0.9990262237336723
Energy: 1.5164013701101884
Energy: 0.9990262254734317
Energy: 1.5642887194821005
Energy: 1.0870592526284553
Energy: 1.5473203681788645
Energy: 1.0870592526268392
Energy: 1.452013486847753
Energy: 0.9933664239284743
Energy: 1.5475868156401724
Energy: 0.9933664239300903
Energy: 1.4512642939159124
Energy: 0.9981133621929088
Energy: 1.1801562994911117
Energy: 0.9981133621912928
Energy: 1.5470460018320102
Energy: 0.9993325627966583
Energy: 1.1682039283870516
Energy: 0.9993325627966583
Energy: 1.6417558002407806
Energy: 0.9938545235421004
Energy: 1.2424437169636813
Energy: 0.9938545235421004
Energy: 1.650629346883758
Energy: 0.9983637612851535
Energy: 1.1581646297639672
Energy: 0.9983637612835374

minimum gb energy = 0.9931441361667944 eV
minimum distance =  2.30228559671763 Angstroms
sigma value = 9


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

Energy: 1.8774117002473363
Energy: 1.1374048427801087
Energy: 1.1353183700156095
Energy: 1.1374048427627577
Energy: 1.5327125026093047
Energy: 1.039579504466891
Energy: 1.1383401826014574
Energy: 1.0395795044659268
Energy: 1.5700132517128544
Energy: 1.039855237928925
Energy: 1.0393287147410404
Energy: 1.0398552379333723
Energy: 1.5700259888752417
Energy: 1.137632264107724
Energy: 1.1372223097395087
Energy: 1.137632264107921
Energy: 1.4450072336296191
Energy: 1.0439220896725336
Energy: 1.1782177061243764
Energy: 1.0439220896731034
Energy: 1.5705303137769544
Energy: 1.1906174007955241
Energy: 1.4215229341951372
Energy: 1.190617400793399
Energy: 1.5702632994011572
Energy: 1.1985200287908366
Energy: 1.0172652681858023
Energy: 1.1985200287906395
Energy: 1.384302905938577
Energy: 1.1942760902049674
Energy: 1.348688612040796
Energy: 1.1942760902043756
Energy: 1.3143476799998308
Energy: 1.1975746487809007
Energy: 1.3493123308478623
Energy: 1.1975746487820618
Energy: 1.3829814593244938
Energy: 1.191340876086159
Energy: 1.5321300278530459
Energy: 1.191340876084034
Energy: 1.3170016651042757
Energy: 1.1374618052924956
Energy: 1.5074282363633964
Energy: 1.1374618052921233
Energy: 1.1379383293715557
Energy: 1.1379450901968224
Energy: 1.5067508700660697
Energy: 1.1379450901964503
Energy: 1.0420901244608514
Energy: 1.0397203754177078
Energy: 1.5719804866876017
Energy: 1.039720375417905
Energy: 1.1371882359869092
Energy: 1.0401872113311068
Energy: 1.576879468582439
Energy: 1.0401872113307125
Energy: 1.1386555200805049
Energy: 1.0403035804356464
Energy: 1.4447679358022767
Energy: 1.0403035804339156
Energy: 1.4207953777441058
Energy: 1.2794241342240684
Energy: 1.5685621451473082
Energy: 1.2794241342238715
Energy: 1.0168678576633492
Energy: 1.0408007493413316
Energy: 1.5708373605691717
Energy: 1.0408007493411564
Energy: 1.016930405994927
Energy: 1.1975453844819017
Energy: 1.3853836553271932
Energy: 1.1975453844817043
Energy: 1.3484991385492369
Energy: 1.1986504420398323
Energy: 1.4597142974141657
Energy: 1.1986504420398323
Energy: 1.5315513407510692
Energy: 1.1909450980337668
Energy: 1.384447471863612
Energy: 1.1909450980281802
Energy: 1.5074153412019333
Energy: 1.1383039009601215
Energy: 1.385947447935668
Energy: 1.1383039009602969

minimum gb energy = 1.0168678576633492 eV
minimum distance =  2.30975653783766 Angstroms
sigma value = 25


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

Energy: 1.6447258887101233
Energy: 1.2147319804585444
Energy: 1.2216431306847055
Energy: 1.2147319801572956
Energy: 1.46061140132427
Energy: 1.1453576440846425
Energy: 1.2211699940280223
Energy: 1.1453576440841549
Energy: 1.4660234393931777
Energy: 1.1318125807213448
Energy: 1.1299032299563603
Energy: 1.131812580722293
Energy: 1.4544931076656076
Energy: 1.1329008916237282
Energy: 1.1328510200832036
Energy: 1.1329008916249201
Energy: 1.3767887079012353
Energy: 1.1314942410629085
Energy: 1.5708032329593646
Energy: 1.1314942410633961
Energy: 1.469665265597583
Energy: 1.2528604191821278
Energy: 1.4447259944869335
Energy: 1.252860419183076
Energy: 1.4702984039606175
Energy: 1.132451800585611
Energy: 1.5193380669686285
Energy: 1.132451800642317
Energy: 1.1324009869529374
Energy: 1.1326566667541356
Energy: 1.512699555025249
Energy: 1.1326566667526996
Energy: 1.132595528807426
Energy: 1.131756699189717
Energy: 1.4597355161814727
Energy: 1.131756699189473
Energy: 1.2014141302769699
Energy: 1.1313030974288352
Energy: 1.4593041020861346
Energy: 1.1313030974285914
Energy: 1.1309907116864564
Energy: 1.13462423821333
Energy: 1.4568990200572511
Energy: 1.1346242382199951
Energy: 1.4593370347430235
Energy: 1.2226768253602447
Energy: 1.452312262707893
Energy: 1.222676825357373
Energy: 1.3222198021486562
Energy: 1.1312428452542258
Energy: 1.4616623824727195
Energy: 1.1312428452582899
Energy: 1.3298328777749346
Energy: 1.2591184313047057
Energy: 1.3829673076683529
Energy: 1.2591184313132673
Energy: 1.4073126816279942
Energy: 1.2587083957228733
Energy: 1.3809114202055586
Energy: 1.2587083957211935
Energy: 1.4587897580233684
Energy: 1.2588940558607862
Energy: 1.3850683042457514
Energy: 1.2588940558619783
Energy: 1.3737382727141536
Energy: 1.2219433825861294
Energy: 1.3946606363809437
Energy: 1.2219433825868609

minimum gb energy = 1.1299032299563603 eV
minimum distance =  2.30316121871371 Angstroms
sigma value = 17


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

Energy: 1.6378791379204727
Energy: 1.2014245827952186
Energy: 1.3039577058372507
Energy: 1.2014245738156901
Energy: 1.4091097224009796
Energy: 1.1499755376027758
Energy: 1.3076952690896313
Energy: 1.1499755376027758
Energy: 1.400812280439109
Energy: 1.150728814046795
Energy: 1.1892940412910171
Energy: 1.1507288140454448
Energy: 1.4329793005215465
Energy: 1.1398226992045999
Energy: 1.1396317899163995
Energy: 1.1398226992045999
Energy: 1.43039127287651
Energy: 1.2935205654229676
Energy: 1.4531207406860753
Energy: 1.2935205654216173
Energy: 1.4033895581850073
Energy: 1.1547345029042113
Energy: 1.3689286903042797
Energy: 1.1547345029028608
Energy: 1.3849578828215507
Energy: 1.2315307988586042
Energy: 1.4654374413270372
Energy: 1.2315307988586042
Energy: 1.2393414292854381
Energy: 1.239811019265298
Energy: 1.4043931850269824
Energy: 1.239811019265298
Energy: 1.1724430525002754
Energy: 1.1549968834594357
Energy: 1.3841501132047442
Energy: 1.1549968834594357
Energy: 1.1624031089845732
Energy: 1.1549958765360668
Energy: 1.3849542156831998
Energy: 1.1549958765387676
Energy: 1.1586271296746957
Energy: 1.2597004548106399
Energy: 1.4338478161738415
Energy: 1.2597004548133406
Energy: 1.377069879258027
Energy: 1.2419625770739158
Energy: 1.384844979674868
Energy: 1.2419625770698648
Energy: 1.467177501081387
Energy: 1.16455259566264
Energy: 1.3863630162203595
Energy: 1.1645525956558886
Energy: 1.468146840779569
Energy: 1.1520630558650757
Energy: 1.1639708723651092
Energy: 1.1520630558650757
Energy: 1.362490085436647
Energy: 1.1481209697801493
Energy: 1.1647984607603465
Energy: 1.1481209697842003
Energy: 1.3624399327009085
Energy: 1.1549496309618892
Energy: 1.1955429453911999
Energy: 1.1549496309618892
Energy: 1.394041566109084
Energy: 1.2386580773268108
Energy: 1.239869609303531
Energy: 1.2386580773227602
Energy: 1.4439870223060356
Energy: 1.2386183959425707
Energy: 1.439786683434814
Energy: 1.2386183959438903
Energy: 1.3622172666636363
Energy: 1.1546616138999795
Energy: 1.3946857248748439
Energy: 1.1546616138999795
Energy: 1.2367081427765851
Energy: 1.293649781744112
Energy: 1.4483553917317362
Energy: 1.2936497817427617
Energy: 1.138177414655428
Energy: 1.1509569430014486
Energy: 1.3937984844638673
Energy: 1.1509569430082003
Energy: 1.1710677180391125
Energy: 1.1501014896118869
Energy: 1.3940899162074865
Energy: 1.150101489595714
Energy: 1.2956544291072518
Energy: 1.200553542284108
Energy: 1.394124556646661
Energy: 1.2005535422827578
Energy: 1.2071567327907424
Energy: 1.1530623293018225
Energy: 1.4426593222880697
Energy: 1.1530623293018225
Energy: 1.4197348439818773
Energy: 1.1498751321687475
Energy: 1.3943087248357058
Energy: 1.1498751321673972
Energy: 1.2650674238334427
Energy: 1.2547399430296748
Energy: 1.394186743647943
Energy: 1.2547399430296748
Energy: 1.3132231019072012
Energy: 1.2583780440495258
Energy: 1.2755382863368285
Energy: 1.2583780440481753
Energy: 1.401605843716833
Energy: 1.2547900637965164
Energy: 1.268782612533279
Energy: 1.2547900637978666
Energy: 1.4101037837546981
Energy: 1.1502880894642342
Energy: 1.317195350953684
Energy: 1.1502880894615335
Energy: 1.401881360177192
Energy: 1.1517875990188338
Energy: 1.3309052755641384
Energy: 1.1517875990215343

minimum gb energy = 1.138177414655428 eV
minimum distance =  2.28443285471733 Angstroms
sigma value = 53


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

Energy: 1.021537935113605
Energy: 1.5685121364365833
Energy: 1.055487912638655
Energy: 1.5685121364365833
Energy: 1.0571950318459937
Energy: 1.0573554379544619
Energy: 1.0614373753590554
Energy: 1.0573554379547798
Energy: 1.3647755463932127
Energy: 1.0745256397920577
Energy: 1.0519323372737457
Energy: 1.074525639793294
Energy: 1.2276587347752097
Energy: 1.0780470575169916
Energy: 1.0571772219774043
Energy: 1.0780470575163557
Energy: 1.2807317780241052
Energy: 1.0586834307525712
Energy: 1.0604417004296303
Energy: 1.0586834307519353
Energy: 1.223659218500824
Energy: 1.0773645801025613
Energy: 1.2824228184872462
Energy: 1.077364580112205
Energy: 1.2815179335936862
Energy: 1.0772270080451394
Energy: 1.0236251953447055
Energy: 1.0772270080445034
Energy: 1.0577973694748997
Energy: 1.0599175229763225
Energy: 1.023801021499756
Energy: 1.0599175229772761
Energy: 1.0565156419448325
Energy: 1.076578554455787
Energy: 1.2831811418004955
Energy: 1.0765785544545508
Energy: 1.0627348995863013
Energy: 1.0777457070250296
Energy: 1.222729381752734
Energy: 1.0777457070231573
Energy: 1.0580519358991647
Energy: 1.0585779143974077
Energy: 1.2288153735435952
Energy: 1.0585779143958534
Energy: 1.3655959918503953
Energy: 1.1627195110505915
Energy: 1.2275553433210975
Energy: 1.162719511049037
Energy: 1.0237865987445283
Energy: 1.0749764129999642
Energy: 1.3646365766067574
Energy: 1.0749764129999642

minimum gb energy = 1.021537935113605 eV
minimum distance =  2.29381257681962 Angstroms
sigma value = 9


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

Energy: 1.7368373851802161
Energy: 1.3305948512582013
Energy: 1.3293850298746102
Energy: 1.3305955829371652
Energy: 1.4412551330436287
Energy: 1.285134463659076
Energy: 1.4043143789218278
Energy: 1.285134463654526
Energy: 1.2614695209187647
Energy: 1.2424597567174707
Energy: 1.284307920280567
Energy: 1.2424597567174707
Energy: 1.2607925709560164
Energy: 1.246343478066682
Energy: 1.2591653982515452
Energy: 1.246343478071284
Energy: 1.2351161884369612
Energy: 1.2444277732990547
Energy: 1.262622679066396
Energy: 1.2444277733013558
Energy: 1.3172007190557717
Energy: 1.2917291703890112
Energy: 1.4628449311346812
Energy: 1.2917291703878606
Energy: 1.4089382567108153
Energy: 1.373113723747852
Energy: 1.609180922519307
Energy: 1.373113723755906
Energy: 1.4999397988395797
Energy: 1.2980805980925756
Energy: 1.609088609014533
Energy: 1.298080647401636
Energy: 1.4123290946664375
Energy: 1.2573116728015301
Energy: 1.3347123796700406
Energy: 1.2573116727980784
Energy: 1.2821816230108614
Energy: 1.2906494231120573
Energy: 1.1854380224804006
Energy: 1.2906494231155088
Energy: 1.4394467137277493
Energy: 1.2535286030214827
Energy: 1.1838083161319193
Energy: 1.2535286030249344
Energy: 1.3707696565616803
Energy: 1.3011645590186138
Energy: 1.2391136181573141
Energy: 1.3011645590140115
Energy: 1.6102436439379455
Energy: 1.3271440929158962
Energy: 1.3114338515924808
Energy: 1.3271440929135951
Energy: 1.6101064208692846
Energy: 1.370312298861231
Energy: 1.4897970155735023
Energy: 1.3703122988566288
Energy: 1.4611112198092253
Energy: 1.2975275200210756
Energy: 1.527829068064988
Energy: 1.2975275200187746
Energy: 1.4377212627838099
Energy: 1.3289193432284536
Energy: 1.4971146212297501
Energy: 1.3289193432250017
Energy: 1.1982678170454297
Energy: 1.201986587987343
Energy: 1.5241106915393372
Energy: 1.2019865879907947
Energy: 1.216370280423095
Energy: 1.2638055846719929
Energy: 1.6034945871477588
Energy: 1.2638055846731433
Energy: 1.2506997291528164
Energy: 1.3074754303145912
Energy: 1.5645751773992644
Energy: 1.307475430315742
Energy: 1.2524406464477371
Energy: 1.3255469178776238
Energy: 1.5698349484918408
Energy: 1.3255469178776238
Energy: 1.4809173588304656
Energy: 1.2588777344471318
Energy: 1.52921608474185
Energy: 1.2588777344425297
Energy: 1.6392077144294936
Energy: 1.250122256549896
Energy: 1.5224176309361142
Energy: 1.2501222565510466
Energy: 1.641529557976064
Energy: 1.321885296126407
Energy: 1.2500308775299815
Energy: 1.3218852961275573
Energy: 1.5758310793536858
Energy: 1.263831235408249
Energy: 1.2371559543290103
Energy: 1.263831235408249
Energy: 1.5562895223300919
Energy: 1.2856897000133631
Energy: 1.1968682192675741
Energy: 1.2856897000133631
Energy: 1.3911774300038167
Energy: 1.3273856072672194
Energy: 1.198647041848453
Energy: 1.327385607260316
Energy: 1.5718014604252462
Energy: 1.2904280272884812
Energy: 1.4603414872373435
Energy: 1.2904280272873305
Energy: 1.5356257740331523
Energy: 1.325960825145726
Energy: 1.6249204219044477
Energy: 1.3259608251468764
Energy: 1.2812788260444798
Energy: 1.3051977928220115
Energy: 1.6391029118054752
Energy: 1.3051977928220115
Energy: 1.3245117783989317
Energy: 1.3208875602877905
Energy: 1.629171874568058
Energy: 1.320887560288941
Energy: 1.2317018250793133
Energy: 1.249466649915631
Energy: 1.4165857484873599
Energy: 1.2494666499190825
Energy: 1.1858822723114053
Energy: 1.2115587076632368
Energy: 1.4103448171730737
Energy: 1.2115587076597851
Energy: 1.2861961273792744
Energy: 1.2916425572836192
Energy: 1.4129658351342753
Energy: 1.2916425572824688
Energy: 1.473700619271863
Energy: 1.2857574269831238
Energy: 1.5220024819582731
Energy: 1.2857574269842744
Energy: 1.6353178365855456
Energy: 1.4098098955167908
Energy: 1.4444196979730732
Energy: 1.4098098955156402

minimum gb energy = 1.1838083161319193 eV
minimum distance =  2.23350861471649 Angstroms
sigma value = 73


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

Energy: 1.7243337373059955
Energy: 1.375355616135101
Energy: 1.3754208236647156
Energy: 1.3753556083669152
Energy: 1.4965863267264417
Energy: 1.3472997609301918
Energy: 1.4046091903142635
Energy: 1.3472997609281798
Energy: 1.3120969793449233
Energy: 1.2729765768018713
Energy: 1.3439270061007413
Energy: 1.2729765768009584
Energy: 1.3141704190350008
Energy: 1.2729744845216886
Energy: 1.3130666756173899
Energy: 1.2729744845220619
Energy: 1.3154804498920023
Energy: 1.2755578031158492
Energy: 1.3471399057045328
Energy: 1.2755578031143764
Energy: 1.4034002666176932
Energy: 1.3510844916698623
Energy: 1.4967670264255308
Energy: 1.3510844916691156
Energy: 1.406520897478283
Energy: 1.4051684706887568
Energy: 1.5975533582070758
Energy: 1.405168470688923
Energy: 1.5788274905757038
Energy: 1.327565309220276
Energy: 1.6609705227264888
Energy: 1.3275653092219146
Energy: 1.5272402412504837
Energy: 1.2856632200007883
Energy: 1.4134335090930406
Energy: 1.2856632200002487
Energy: 1.3442090042076307
Energy: 1.343362717413133
Energy: 1.2465962407670634
Energy: 1.3433627174134857
Energy: 1.5276329067171028
Energy: 1.2945028212932899
Energy: 1.2001242563153063
Energy: 1.2945028212912777
Energy: 1.5504477931012932
Energy: 1.3633643171377219
Energy: 1.270594365430819
Energy: 1.3633643171380954
Energy: 1.493942084659908
Energy: 1.2549803065853797
Energy: 1.2553610115006462
Energy: 1.2549803065833678
Energy: 1.4935965507040718
Energy: 1.3505995982332417
Energy: 1.5555639845638605
Energy: 1.350599598233055
Energy: 1.591105238617141
Energy: 1.331904808741635
Energy: 1.5876537244139437
Energy: 1.33190480873927
Energy: 1.5500653938866287
Energy: 1.352070537534391
Energy: 1.6504053454388816
Energy: 1.3520705375332915
Energy: 1.2551145910315966
Energy: 1.3064638990397464
Energy: 1.6470175013199233
Energy: 1.3064638990397464
Energy: 1.2716334983308772
Energy: 1.3252235548292717
Energy: 1.6165886451364917
Energy: 1.3252235548285456
Energy: 1.2004946490862582
Energy: 1.2032331249661152
Energy: 1.5278954620265068
Energy: 1.203233124966841
Energy: 1.2462400462850258
Energy: 1.344128435272269
Energy: 1.5100343036782846
Energy: 1.3441284352728085
Energy: 1.3862024076187958
Energy: 1.295028132278064
Energy: 1.5245650377453879
Energy: 1.295028132276425
Energy: 1.637397508848041
Energy: 1.3337173840983245
Energy: 1.569866470267429
Energy: 1.3337173840988845

minimum gb energy = 1.2001242563153063 eV
minimum distance =  2.2630115311911 Angstroms
sigma value = 7


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

Energy: 2.3464133814155295
Energy: 1.4067775468886645
Energy: 1.3993838838034436
Energy: 1.4067775329053607
Energy: 1.5916330064914863
Energy: 1.292144900196179
Energy: 1.3953753697415505
Energy: 1.2921449001691019
Energy: 1.4437607367473269
Energy: 1.2758902940476133
Energy: 1.404454630009969
Energy: 1.2758902940463226
Energy: 1.3532333193189774
Energy: 1.2785741099337038
Energy: 1.3084416822067806
Energy: 1.2785741099324128
Energy: 1.3585796593149257
Energy: 1.278519394188014
Energy: 1.3579868105499877
Energy: 1.278519394188014
Energy: 1.3633405847495748
Energy: 1.3210812062469621
Energy: 1.5798905799156746
Energy: 1.3210812062469621
Energy: 1.366810100651751
Energy: 1.3940894622412054
Energy: 1.6070761520221797
Energy: 1.3940894622437872
Energy: 1.599740718877535
Energy: 1.297628364842249
Energy: 1.6035474626371626
Energy: 1.297628364842249
Energy: 1.5636646985239055
Energy: 1.3058317393186318
Energy: 1.456524266731484
Energy: 1.3058317393186318
Energy: 1.4068732260656942
Energy: 1.3026213586626625
Energy: 1.2284185188036407
Energy: 1.3026213586562088
Energy: 1.619064651720472
Energy: 1.3194276129713456
Energy: 1.2200968894837974
Energy: 1.3194276129713456
Energy: 1.4943707049522954
Energy: 1.3081773381658046
Energy: 1.3208474004441146
Energy: 1.3081773381619322
Energy: 1.6166958840909913
Energy: 1.2241527310655673
Energy: 1.2826576403507715
Energy: 1.2241527310694393
Energy: 1.6134379492409132
Energy: 1.3038651545972508
Energy: 1.4489339563583041
Energy: 1.3038651545972508
Energy: 1.629173598663422
Energy: 1.3228244956539539
Energy: 1.4565073997933362
Energy: 1.3228244956539539
Energy: 1.6256831638991678
Energy: 1.2968551268882855
Energy: 1.8051960436781265
Energy: 1.2968551265373687
Energy: 1.4450228142385362
Energy: 1.2943953832312909
Energy: 1.8111981664146404
Energy: 1.2943953832312909
Energy: 1.403237810405752
Energy: 1.2916960087690672
Energy: 1.4436166911605637
Energy: 1.2916960087677765
Energy: 1.308349096798621
Energy: 1.2766711960288084
Energy: 1.3563148115996875
Energy: 1.2766711960288084
Energy: 1.3583330971558878
Energy: 1.276601454912895
Energy: 1.3064112714232354
Energy: 1.2766014549154767
Energy: 1.4570164860209693
Energy: 1.320415483306955
Energy: 1.3205073156370415
Energy: 1.3204154833082458
Energy: 1.6073654934325816
Energy: 1.3669502327475942
Energy: 1.3678762358237857
Energy: 1.3669502324882643
Energy: 1.6006007960235202
Energy: 1.4460573454122034
Energy: 1.5501469894222568
Energy: 1.4460573454147851
Energy: 1.4570613191221538
Energy: 1.3193578966467754
Energy: 1.60291860145663
Energy: 1.319357896649357
Energy: 1.4013692930722443
Energy: 1.3025746834929655
Energy: 1.390301470603227
Energy: 1.3025746834929655
Energy: 1.2227632503145618
Energy: 1.2234280531267052
Energy: 1.3845437008063959
Energy: 1.223428053127996
Energy: 1.3227285485371592
Energy: 1.3796790886158026
Energy: 1.556142402009975
Energy: 1.3796790886170933
Energy: 1.221743388320627
Energy: 1.2251492207029118
Energy: 1.6543581409243397
Energy: 1.225149220701621
Energy: 1.284668288241261
Energy: 1.3025950374848465
Energy: 1.6268042255337742
Energy: 1.3025950374887187
Energy: 1.5141194660376311
Energy: 1.3211285986863015
Energy: 1.5937561101369375
Energy: 1.3211285986875925
Energy: 1.8088164511477707
Energy: 1.2986275544904708
Energy: 1.6252276941103279
Energy: 1.2986275545278743

minimum gb energy = 1.2200968894837974 eV
minimum distance =  2.25966106760943 Angstroms
sigma value = 29


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

Energy: 1.6321401420318784
Energy: 1.4903615586736834
Energy: 1.575979352173452
Energy: 1.4903615565626618
Energy: 1.3085317409289747
Energy: 1.2369659914554412
Energy: 1.4087763688087223
Energy: 1.2369659914563402
Energy: 1.3958609639300408
Energy: 1.23813268686292
Energy: 1.2993695193676293
Energy: 1.2381326868633447
Energy: 1.305264729623951
Energy: 1.2388275344217112
Energy: 1.1269464277432149
Energy: 1.2388275344203874
Energy: 1.3043934643214576
Energy: 1.2449800626910983
Energy: 1.297885866425809
Energy: 1.2449800626919727
Energy: 1.3040131125214793
Energy: 1.245644724144332
Energy: 1.3640551804579704
Energy: 1.2456447241460806
Energy: 1.410513154090784
Energy: 1.4072730385956114
Energy: 1.2820966767273936
Energy: 1.4072730386000072
Energy: 1.4703592562756866
Energy: 1.2364845942860916
Energy: 1.3650229164074237
Energy: 1.2364845942865412
Energy: 1.4322957785015504
Energy: 1.2731444098091103
Energy: 1.453255677762859
Energy: 1.2731444098060378

minimum gb energy = 1.1269464277432149 eV
minimum distance =  2.25406259044686 Angstroms
sigma value = 5


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

Energy: 1.713500784614151
Energy: 1.751684994794661
Energy: 1.5938446278487994
Energy: 1.751684994803196
Energy: 1.2319424272910324
Energy: 1.2662265318240302
Energy: 1.5256383861380538
Energy: 1.2662265317801353
Energy: 1.2068107955200629
Energy: 1.2123255367611325
Energy: 1.5121230321883412
Energy: 1.212325536759913
Energy: 1.202531124970004
Energy: 1.2666269090444096
Energy: 1.4544338693034513
Energy: 1.2666269090407518
Energy: 1.216543779536673
Energy: 1.222002474913451
Energy: 1.4665812184596876
Energy: 1.2220024749146703
Energy: 1.2261624242115607
Energy: 1.2511988120825797
Energy: 1.4232896635792451
Energy: 1.2511988120825797
Energy: 1.2183783977230305
Energy: 1.2993802096441427
Energy: 1.3809528428504745
Energy: 1.2993802096441427
Energy: 1.2233509215208944
Energy: 1.2468350592626372
Energy: 1.3745482699221134
Energy: 1.2468350592589794
Energy: 1.5497635617705485
Energy: 1.24601247823948
Energy: 1.4158480202336654
Energy: 1.2460124782625912
Energy: 1.505157323020152
Energy: 1.4458820660928982
Energy: 1.5062932816311025
Energy: 1.4458820660977754
Energy: 1.4797208879076624
Energy: 1.2551196572671994
Energy: 1.57654586168825
Energy: 1.255119659705908
Energy: 1.4377340893611157
Energy: 1.2469599392593125
Energy: 1.5748797273104682
Energy: 1.2469599392593125
Energy: 1.3841640104635256
Energy: 1.352336165931214
Energy: 1.578959683724836
Energy: 1.3523361659287754
Energy: 1.4135395255016054
Energy: 1.3392315309945093
Energy: 1.2210827857056474
Energy: 1.3392315309920706
Energy: 1.3822425060484103
Energy: 1.3025071679416331
Energy: 1.2199677504781314
Energy: 1.3025071679391946
Energy: 1.385758661214876
Energy: 1.2471046993460664
Energy: 1.2215606229086826
Energy: 1.247104699344847
Energy: 1.4256223862494566
Energy: 1.2509400577732128
Energy: 1.2684559422366146
Energy: 1.2509400577744318
Energy: 1.5123965687285843
Energy: 1.2122735850348672
Energy: 1.2154004994717384
Energy: 1.212273585033648
Energy: 1.5155563220265014
Energy: 1.348305067211429
Energy: 1.2021352710182804
Energy: 1.348305067211429
Energy: 1.5314162804952194
Energy: 1.2180416162846688
Energy: 1.2039331802704112
Energy: 1.21804161628223
Energy: 1.5388882739490766
Energy: 1.2743229833861824
Energy: 1.6380189177178501
Energy: 1.2743229833861824
Energy: 1.6844461312892212
Energy: 1.438426350465846
Energy: 1.6408000136597054
Energy: 1.4384263504646269
Energy: 1.607394230152702
Energy: 1.2338436888625723
Energy: 1.203862104433444
Energy: 1.2338436886273587
Energy: 1.5797185471007114
Energy: 1.2508665434120505
Energy: 1.3028825577490315
Energy: 1.2508665434144892
Energy: 1.5760109549489134
Energy: 1.2148775699182301
Energy: 1.2480314260267176
Energy: 1.2148775699157914
Energy: 1.3543313108866346
Energy: 1.276809320222835
Energy: 1.324393036067942
Energy: 1.276809320219177
Energy: 1.2694681332739468
Energy: 1.270733927996617
Energy: 1.2750311967777779
Energy: 1.2707339280002194
Energy: 1.2749083490946043
Energy: 1.2681943189841778
Energy: 1.2710978869820204
Energy: 1.2681943189805198
Energy: 1.3046140586277453
Energy: 1.2975377279866576
Energy: 1.3549912050234236
Energy: 1.29753772800007
Energy: 1.2662626721493693
Energy: 1.2489493085983319
Energy: 1.5061471806361004
Energy: 1.2489493085971126
Energy: 1.3034902471735508
Energy: 1.252697696476939
Energy: 1.508905518491901
Energy: 1.2526976964745002
Energy: 1.2327156022092358
Energy: 1.2334839413132983
Energy: 1.6012864272965583
Energy: 1.2334839413132983
Energy: 1.706991176640885
Energy: 1.5378044427790478
Energy: 1.59690090327577
Energy: 1.5378044427814865

minimum gb energy = 1.2021352710182804 eV
minimum distance =  2.22691629599549 Angstroms
sigma value = 1


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

Energy: 1.9365865155716804
Energy: 1.5163145483348477
Energy: 1.4308264637801544
Energy: 1.5163145481090543
Energy: 1.1869336003036834
Energy: 1.1942990390500912
Energy: 1.1896048858791675
Energy: 1.1942990390500912
Energy: 1.1877965686747807
Energy: 1.1925735226714034
Energy: 1.393736722566737
Energy: 1.1925735226697174
Energy: 1.189998426767367
Energy: 1.1994044178730048
Energy: 1.1955812372867496
Energy: 1.1994044178730048
Energy: 1.1919575550321024
Energy: 1.2142506831916111
Energy: 1.3480550149715615
Energy: 1.2142506831916111
Energy: 1.19108453675056
Energy: 1.2153733463509213
Energy: 1.3500718917155303
Energy: 1.2153733463509213
Energy: 1.182296682930077
Energy: 1.2756816661065236
Energy: 1.3953865336627131
Energy: 1.2756816661081714
Energy: 1.1879476324901193
Energy: 1.1917099438182575
Energy: 1.3918576892838577
Energy: 1.1917099438199432
Energy: 1.1877196756655741
Energy: 1.317138605937524
Energy: 1.3716190340397643
Energy: 1.317138605935838
Energy: 1.3820262560499021
Energy: 1.373185290910111
Energy: 1.1872773914960688
Energy: 1.373185290837618
Energy: 1.1870773330313038
Energy: 1.2549713708655097
Energy: 1.403043503788557
Energy: 1.254971370868843
Energy: 1.1874612955163895
Energy: 1.1922131860732843
Energy: 1.568232012382099
Energy: 1.1922131860715985
Energy: 1.1759769202341908
Energy: 1.2000296522616227
Energy: 1.5681293478144371
Energy: 1.2000296522616227
Energy: 1.1907137572248883
Energy: 1.264643741235717
Energy: 1.1871033461992617
Energy: 1.264643741237403
Energy: 1.1954982262641436
Energy: 1.2051707206764763
Energy: 1.187402165166347
Energy: 1.2051707206781626
Energy: 1.1948174267338902
Energy: 1.1914098292575246
Energy: 1.1779610207003985
Energy: 1.1914098292575246
Energy: 1.24583247758591
Energy: 1.2086339146845433
Energy: 1.194223861441928
Energy: 1.2086339146828575
Energy: 1.3915048802972028
Energy: 1.1904067792164297
Energy: 1.1769450790242004
Energy: 1.1904067792181154
Energy: 1.3960678231710595
Energy: 1.2772810155593186
Energy: 1.1857040255983164
Energy: 1.2772810155593186
Energy: 1.3825372096453235
Energy: 1.1917744940019028
Energy: 1.1881316690294144
Energy: 1.1917744940035886
Energy: 1.362343847474443
Energy: 1.1928594744479586
Energy: 1.3796310607200433
Energy: 1.1928594744496444
Energy: 1.3982628843180207
Energy: 1.1921462990852059
Energy: 1.3805998810415536
Energy: 1.1921462990852059
Energy: 1.40431933677499
Energy: 1.2643380119000278
Energy: 1.1880290345245303
Energy: 1.2643380119000278
Energy: 1.569729643239354
Energy: 1.2073382179898267
Energy: 1.1863196146890622
Energy: 1.2073382179915126

minimum gb energy = 1.1759769202341908 eV
minimum distance =  2.25447107258789 Angstroms
sigma value = 17


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

Energy: 1.8072702565515146
Energy: 1.6904252985310004
Energy: 1.7333257963708295
Energy: 1.6904252985299586
Energy: 1.1762358430828634
Energy: 1.213916754901054
Energy: 1.4730092326026147
Energy: 1.213916754896886
Energy: 1.1831968572457623
Energy: 1.1786217902822054
Energy: 1.4842104612166704
Energy: 1.1786217902988774
Energy: 1.1740093253793704
Energy: 1.178924143448273
Energy: 1.4877188528762728
Energy: 1.1789241434461892
Energy: 1.1766418889368657
Energy: 1.2479530349410226
Energy: 1.3041549914606687
Energy: 1.2479530349410226
Energy: 1.23493817075031
Energy: 1.2205196379707453
Energy: 1.2662502000061988
Energy: 1.220519637966577
Energy: 1.2464428340708762
Energy: 1.2215776294482095
Energy: 1.2364441328667362
Energy: 1.2215776294450833
Energy: 1.2673620317559235
Energy: 1.2238763389036187
Energy: 1.2326614889657908
Energy: 1.2238763389109126
Energy: 1.473339098443105
Energy: 1.1777460010078975
Energy: 1.1792942307762004
Energy: 1.1777460010099816
Energy: 1.4270694439682234
Energy: 1.1792830526137807
Energy: 1.1802955089337483
Energy: 1.1792830526116969
Energy: 1.5417551162711773
Energy: 1.179067828144741
Energy: 1.1786124473614799
Energy: 1.1790678281676654
Energy: 1.4866647662395078
Energy: 1.2149968025315654
Energy: 1.5327194731886575
Energy: 1.2149968025284394
Energy: 1.6788033615417006
Energy: 1.2130756764021364
Energy: 1.5275165813357021
Energy: 1.2130756764031785
Energy: 1.3828940884613754
Energy: 1.2996315592325023
Energy: 1.17728730377458
Energy: 1.2996315592304184
Energy: 1.477986017476233
Energy: 1.1781196669245975
Energy: 1.3111924598890188
Energy: 1.1781196669256395
Energy: 1.6126953529428325
Energy: 1.1768023275504385
Energy: 1.2644889495173526
Energy: 1.1768023275473125
Energy: 1.2090145963498096
Energy: 1.2140584662945364
Energy: 1.35294211555917
Energy: 1.2140584662955785
Energy: 1.2131551374906062
Energy: 1.2428132196431336
Energy: 1.3155324487989095
Energy: 1.2428132196410495
Energy: 1.2061830528893607
Energy: 1.2128882351963193
Energy: 1.3120370401719585
Energy: 1.212888235192151
Energy: 1.2484669895945153
Energy: 1.2933765332514184
Energy: 1.4454389710613382
Energy: 1.2933765332514184
Energy: 1.1859458279931558
Energy: 1.1963292535505199
Energy: 1.4255552138564573
Energy: 1.1963292535515617
Energy: 1.1905810626390652
Energy: 1.1967725610573359
Energy: 1.4247005063583673
Energy: 1.196772561061504
Energy: 1.1957125873080698
Energy: 1.3124134287640543
Energy: 1.3288000752068245
Energy: 1.3124134287640543
Energy: 1.5374957410610535
Energy: 1.3849778619021837
Energy: 1.3993303584586378
Energy: 1.3849778619000996
Energy: 1.5311930628876722
Energy: 1.1972234716030037
Energy: 1.4680840641233086
Energy: 1.1972234716050876
Energy: 1.4648944605417036
Energy: 1.2036114809905576
Energy: 1.1982339169847662
Energy: 1.2036114809884737
Energy: 1.4985098718684327
Energy: 1.4791972788686483
Energy: 1.6037080833098405
Energy: 1.4791972788738579
Energy: 1.3908541116815434
Energy: 1.1968976504395208
Energy: 1.2025051204868027
Energy: 1.1968976504322268
Energy: 1.42401993263833
Energy: 1.1971017708949023
Energy: 1.1937694810283754
Energy: 1.1971017708938605
Energy: 1.3788044458363766
Energy: 1.199186709720865
Energy: 1.189712724947091
Energy: 1.1991867097187812
Energy: 1.4212239105374165
Energy: 1.1983216111690593
Energy: 1.1896208683763259
Energy: 1.1983216111711432
Energy: 1.3567172546068729
Energy: 1.2181303013515719
Energy: 1.1998421055467747
Energy: 1.2181303013505298
Energy: 1.3132673852617833
Energy: 1.2173449499127549
Energy: 1.2086887519066891
Energy: 1.217344949917965
Energy: 1.3100702470001133
Energy: 1.2134197534521387
Energy: 1.2033319674387326
Energy: 1.213419753456307
Energy: 1.2636970336049393
Energy: 1.1820857880201283
Energy: 1.206607612948211
Energy: 1.1820857880242965
Energy: 1.2818836983416957
Energy: 1.282586554569028
Energy: 1.544216652400078
Energy: 1.282586554563818
Energy: 1.3114956205344213
Energy: 1.1805868607410896
Energy: 1.5021439973540802
Energy: 1.180586860744216
Energy: 1.4499875880354631
Energy: 1.2168517752699801
Energy: 1.5275753323921397
Energy: 1.2168517752689378

minimum gb energy = 1.1740093253793704 eV
minimum distance =  2.23587185957109 Angstroms
sigma value = 89


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

Energy: 2.088123924175451
Energy: 1.369693070860603
Energy: 1.382184526182226
Energy: 1.3696930687561666
Energy: 1.1431737915033768
Energy: 1.148028043965736
Energy: 1.1404759617032307
Energy: 1.1480280439654573
Energy: 1.1425818112598083
Energy: 1.1464426388157107
Energy: 1.2492332101471701
Energy: 1.1464426388162685
Energy: 1.137856856201818
Energy: 1.1468463968542457
Energy: 1.2499339750098306
Energy: 1.1468463968667937
Energy: 1.1369410263626194
Energy: 1.1708172588235772
Energy: 1.2672481466125558
Energy: 1.1708172588227717
Energy: 1.1974411173381816
Energy: 1.1552330260593302
Energy: 1.2559564827696337
Energy: 1.1552330260598878
Energy: 1.2039179696791737
Energy: 1.1538732290945342
Energy: 1.1991823081238742
Energy: 1.1538732290936975
Energy: 1.2605166031465995
Energy: 1.1574234871278601
Energy: 1.1972980968394908
Energy: 1.1574234871264968
Energy: 1.237014617990543
Energy: 1.1474188725309091
Energy: 1.1333928435884109
Energy: 1.1474188725319934
Energy: 1.2345390311381657
Energy: 1.1471038078221585
Energy: 1.1350638891066664
Energy: 1.1471038078232427
Energy: 1.2337716454207623
Energy: 1.1484291190649856
Energy: 1.1437181563938583
Energy: 1.1484291190655431
Energy: 1.4032574136260223
Energy: 1.1464195284279797
Energy: 1.408981233125793
Energy: 1.1464195284287853
Energy: 1.424262877610749
Energy: 1.1481733162900565
Energy: 1.4086181321167421
Energy: 1.1481733162873613
Energy: 1.1409502762853785
Energy: 1.2388492907588275
Energy: 1.1420129590953125
Energy: 1.2388492907585487
Energy: 1.5764235719121074
Energy: 1.1466840946269805
Energy: 1.1421073740771215
Energy: 1.146684094627817

minimum gb energy = 1.1333928435884109 eV
minimum distance =  2.25371937503259 Angstroms
sigma value = 13


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

Energy: 1.3185706507715793
Energy: 1.4109097533409085
Energy: 1.3727759763681386
Energy: 1.4109097533420512
Energy: 1.1101521549846782
Energy: 1.1143151895533248
Energy: 1.111561312686573
Energy: 1.1143151895670378
Energy: 1.1100834027511985
Energy: 1.1125214683543458
Energy: 1.2892751744708477
Energy: 1.1125214683566313
Energy: 1.1050656888593478
Energy: 1.1112957724239096
Energy: 1.2853103336691976
Energy: 1.1112957724261951
Energy: 1.1111597021126542
Energy: 1.238287395337504
Energy: 1.1894928079802873
Energy: 1.2382873953489317
Energy: 1.2210881676603482
Energy: 1.0966661604188437
Energy: 1.1412896814104119
Energy: 1.0966661604199865
Energy: 1.2194412150935712
Energy: 1.0953940493229857
Energy: 1.1274178024428234
Energy: 1.0953940493241285
Energy: 1.2619484859670174
Energy: 1.0983201716140405
Energy: 1.1313400038137096
Energy: 1.0983201716220397
Energy: 1.2171600262071351
Energy: 1.0981907571812923
Energy: 1.130305353675679
Energy: 1.0981907571801495
Energy: 1.2235812037530642
Energy: 1.0982250131199116
Energy: 1.1249731257770463
Energy: 1.098225013118769
Energy: 1.2032960848084486
Energy: 1.1017850408539351
Energy: 1.1920349447990166
Energy: 1.1017850408539351
Energy: 1.1091679000149954
Energy: 1.111236379553604
Energy: 1.2159859226106335
Energy: 1.1112363795570324
Energy: 1.1186709282694034
Energy: 1.1119690288010846
Energy: 1.2155529990618381
Energy: 1.1119690287976565
Energy: 1.1090538857619878
Energy: 1.11558454304053
Energy: 1.2180495778775777
Energy: 1.1155845430371019
Energy: 1.4215568596364587
Energy: 1.119689119946151
Energy: 1.107804734313185
Energy: 1.119689119949579
Energy: 1.4205820618972391
Energy: 1.1113980759354531
Energy: 1.1090056192176139
Energy: 1.1113980759365958
Energy: 1.1082376481700629
Energy: 1.1169642459383278
Energy: 1.1098681166950601
Energy: 1.116964245937185
Energy: 1.1124480119787552
Energy: 1.111810010877431
Energy: 1.287562498609395
Energy: 1.111810010877431
Energy: 1.1093497829509409
Energy: 1.112443928450996
Energy: 1.103131634447518
Energy: 1.1124439284487104
Energy: 1.2149133409019885
Energy: 1.1145263405334747
Energy: 1.1129726087237855
Energy: 1.1145263405380457
Energy: 1.2884038729962397
Energy: 1.160445731526707
Energy: 1.1070340683238504
Energy: 1.160445731526707
Energy: 1.189372326254744
Energy: 1.2092931914609606
Energy: 1.1125003037417385
Energy: 1.2092931914563896
Energy: 1.1907978320156591
Energy: 1.097499730203727
Energy: 1.217055087504484
Energy: 1.097499730203727
Energy: 1.129695858177635
Energy: 1.0968197706752043
Energy: 1.156795897075171
Energy: 1.0968197706740617
Energy: 1.128952917844723
Energy: 1.1026834251197253
Energy: 1.210989364950726
Energy: 1.102683425120868
Energy: 1.127825828517297
Energy: 1.1024598050020005
Energy: 1.2629166248442187
Energy: 1.102459805004286
Energy: 1.126463355075861
Energy: 1.0993453564448108
Energy: 1.2185649872559399
Energy: 1.0993453564448108
Energy: 1.1909018001553517
Energy: 1.1004499765045954
Energy: 1.2160003048014474
Energy: 1.10044997650231
Energy: 1.18986233996764
Energy: 1.112990267868765
Energy: 1.1099723729595794
Energy: 1.112990267868765
Energy: 1.2158781965789638
Energy: 1.1121346765167188
Energy: 1.1113276290934313
Energy: 1.1121346765178615
Energy: 1.2141021258830265
Energy: 1.1162505082722016
Energy: 1.1092646246200186
Energy: 1.1162505082619167
Energy: 1.1119408574338145
Energy: 1.1117265563935048
Energy: 1.2123522149011203
Energy: 1.1117265564403576
Energy: 1.1086849930749134
Energy: 1.119773135542768
Energy: 1.4222378167329253
Energy: 1.1197731355416254
Energy: 1.1097550626952302
Energy: 1.121449344394287
Energy: 1.1093756405722681
Energy: 1.1214493444000007
Energy: 1.57415425370788
Energy: 1.1111755005944668
Energy: 1.1094656158942426
Energy: 1.1111755005921813

minimum gb energy = 1.0953940493229857 eV
minimum distance =  2.26116918694638 Angstroms
sigma value = 37


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

Energy: 1.3389595850510916
Energy: 1.343715273693038
Energy: 1.3058487760511575
Energy: 1.343715273693418
Energy: 1.0646611984668397
Energy: 1.0711248254993693
Energy: 1.0659232338663431
Energy: 1.0711248254769608
Energy: 1.065006349961003
Energy: 1.0728829311537849
Energy: 1.2833147305499828
Energy: 1.072882931153003
Energy: 1.0631470550756719
Energy: 1.071778435695571
Energy: 1.2836944144282596
Energy: 1.0717784356947893
Energy: 1.1849940870075995
Energy: 1.1278423150018941
Energy: 1.1244384012918065
Energy: 1.12784231500071
Energy: 1.1425071406694531
Energy: 1.0412436291450726
Energy: 1.0720728366019836
Energy: 1.0412436291442906
Energy: 1.1434771381542848
Energy: 1.0405816101125163
Energy: 1.0682537294467054
Energy: 1.0405816101121363
Energy: 1.1899899415283581
Energy: 1.0296052230821444
Energy: 1.0756963034891363
Energy: 1.0296052230858754
Energy: 1.1157134815510632
Energy: 1.0208169855385438
Energy: 1.11368765103536
Energy: 1.020816985538946
Energy: 1.1145815232832097
Energy: 1.0200112869057554
Energy: 1.116322898879648
Energy: 1.0200112869057554
Energy: 1.168959537176273
Energy: 1.1145774771096
Energy: 1.1895569017645318
Energy: 1.114577477110583
Energy: 1.075645053972507
Energy: 1.0406582248328864
Energy: 1.218374447766932
Energy: 1.0406582248336682
Energy: 1.071759003673076
Energy: 1.0409362626649628
Energy: 1.2171565770387465
Energy: 1.0409362626663257
Energy: 1.1247338426301638
Energy: 1.0600192724086654
Energy: 1.1843809192401586
Energy: 1.060019272379599
Energy: 1.2111454212141373
Energy: 1.0710277690824785
Energy: 1.0641925283696585
Energy: 1.0710277690830592
Energy: 1.132160128967294
Energy: 1.071765576420814
Energy: 1.0658571619457988
Energy: 1.0717655764210152
Energy: 1.1980608805572306
Energy: 1.0868785283321134
Energy: 1.0650859258154524
Energy: 1.0868785283254334
Energy: 1.0655560958610293
Energy: 1.0802313262748062
Energy: 1.191271861482512
Energy: 1.0802313262740242
Energy: 1.0652615055404304
Energy: 1.0726369638675375
Energy: 1.191553526534589
Energy: 1.0726369638665545
Energy: 1.0512183355573337
Energy: 1.072129376481323
Energy: 1.0656367381254257
Energy: 1.0721293764811217

minimum gb energy = 1.0200112869057554 eV
minimum distance =  2.25601347020232 Angstroms
sigma value = 25


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

Energy: 1.322566730796631
Energy: 1.2100957153835106
Energy: 1.1851624129501548
Energy: 1.2100957153850458
Energy: 0.9933587887322909
Energy: 0.9940762868592905
Energy: 1.03073039676889
Energy: 0.9940762875360153
Energy: 0.9927147681269588
Energy: 0.9992101835028728
Energy: 1.150981391276267
Energy: 0.9992101835028728
Energy: 0.9918230099124589
Energy: 0.9985237462446415
Energy: 1.1392239763323821
Energy: 0.9985237462461765
Energy: 1.0303461537973366
Energy: 0.9841796629019368
Energy: 1.0311002944294991
Energy: 0.9841796628927254
Energy: 1.1419456130329506
Energy: 0.9635326645027926
Energy: 0.983205406984575
Energy: 0.9635326645012573
Energy: 1.1415222966867546
Energy: 0.9637874695798329
Energy: 0.9830920111093565
Energy: 0.9637874695798329
Energy: 1.06967520821262
Energy: 1.0526354872142878
Energy: 1.0843433667579276
Energy: 1.0526354872142878
Energy: 1.0016530889564554
Energy: 0.9305312735543296
Energy: 1.1064379225333458
Energy: 0.9305312735543296
Energy: 1.0082837655079377
Energy: 0.9292357729982834
Energy: 1.106712450658531
Energy: 0.9292357729998189
Energy: 1.04108387628358
Energy: 1.083924670028852
Energy: 1.0750710102529502
Energy: 1.0839246803272446
Energy: 1.0448607235668554
Energy: 0.918836294831144
Energy: 1.046311730730108
Energy: 0.9188362948296087
Energy: 1.0570750230610282
Energy: 0.9215832480743387
Energy: 1.0428420406655459
Energy: 0.9215832480712683
Energy: 1.0751413553348177
Energy: 0.9721199210669683
Energy: 1.0225117673639121
Energy: 0.9721199210623626
Energy: 1.106386793944998
Energy: 0.9297966731880697
Energy: 1.0012577438026813
Energy: 0.9297966731880697
Energy: 1.1066586061312862
Energy: 0.9290115046140616
Energy: 1.0016616020583233
Energy: 0.9290115046155968
Energy: 0.9894909757969834
Energy: 0.9714013101522931
Energy: 1.0694339031683147
Energy: 0.9714013101538285
Energy: 0.982486559773196
Energy: 0.9637576143177699
Energy: 1.1057847506857086
Energy: 0.9637576143162345
Energy: 0.9832792462449913
Energy: 0.9645278163536993
Energy: 1.1903258945165465
Energy: 0.9645278163521641
Energy: 1.030631981274966
Energy: 0.9951475224931049
Energy: 1.1091513508182798
Energy: 0.9951475224915696
Energy: 1.189646328595563
Energy: 1.0229322954185416
Energy: 0.9927864331244
Energy: 1.0229322954154711
Energy: 1.0306550877436857
Energy: 0.9997921910017835
Energy: 0.992701283184993
Energy: 0.9997921910002482
Energy: 1.0306894466351517
Energy: 0.9996361369011956
Energy: 1.0268112313267836
Energy: 0.9996361369042661
Energy: 0.9954884420900868
Energy: 1.0003647560716182
Energy: 1.1914487678204004
Energy: 1.000364756070083
Energy: 0.9932673918476927
Energy: 0.9969746017238292
Energy: 0.9924722241101233
Energy: 0.9969746017054065
Energy: 1.2301112693574985
Energy: 0.9989586226593318
Energy: 0.9926484405417073
Energy: 0.998958622660867

minimum gb energy = 0.9188362948296087 eV
minimum distance =  2.26640607763003 Angstroms
sigma value = 41


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

Energy: 1.2564384937523
Energy: 1.1012453661255923
Energy: 1.0815850373730351
Energy: 1.10124536613815
Energy: 0.9313556829089739
Energy: 0.9228895789378667
Energy: 0.9122828634847212
Energy: 0.9228895788057666
Energy: 0.9280509515881665
Energy: 0.9312310377875179
Energy: 0.9153669877851978
Energy: 0.9312310378303117
Energy: 0.9271934871901583
Energy: 0.9312277225014829
Energy: 0.9157572101433327
Energy: 0.9312277225002243
Energy: 0.9148398787480588
Energy: 0.9148945877679729
Energy: 0.9123589554738312
Energy: 0.9148945915271336
Energy: 0.9146604407104457
Energy: 0.9010982276875467
Energy: 0.9126284925179955
Energy: 0.9010982276875467
Energy: 0.9192961105441404
Energy: 0.9005740664369933
Energy: 0.9133201164801985
Energy: 0.9005740664332172
Energy: 0.9474319781480606
Energy: 0.9402001442239982
Energy: 0.9411808229326561
Energy: 0.9402001442214809
Energy: 0.9204758797270638
Energy: 0.8668712278794005
Energy: 0.9546401799890545
Energy: 0.866871227880659
Energy: 0.9268615787364298
Energy: 0.8656292879118547
Energy: 1.0586568764416913
Energy: 0.865629287914372
Energy: 0.9539088502981325
Energy: 1.0275550219154983
Energy: 0.9918113447191037
Energy: 1.0275550219079466
Energy: 1.0310289518889946
Energy: 0.8475057919517117
Energy: 0.9413747187032789
Energy: 0.8475057919504531
Energy: 1.0047097420006195
Energy: 0.8501792202871503
Energy: 0.9470342069150053
Energy: 0.8501792202871503
Energy: 0.9925101058391399
Energy: 0.8433877167309236
Energy: 0.9783103116327605
Energy: 0.8433877167309236
Energy: 0.9828144679349455
Energy: 0.8409595990445579
Energy: 0.9801371974486823
Energy: 0.8409595990432993
Energy: 0.9826352986411356
Energy: 0.8414442209781778
Energy: 0.9815221345021159
Energy: 0.8414442209731434
Energy: 0.9555606247183274
Energy: 0.849882016512227
Energy: 0.9922227130383531
Energy: 0.8498820165109685
Energy: 0.9461093346326345
Energy: 0.8475325499242967
Energy: 1.0318140289063558
Energy: 0.8475325499280727
Energy: 0.9604275524814777
Energy: 0.8486380190881042
Energy: 1.0314799563723231
Energy: 0.8486380190843281
Energy: 0.9878460809287521
Energy: 0.8665612330917621
Energy: 0.9449417141507493
Energy: 0.8665612330917621
Energy: 0.943308656855938
Energy: 0.8662883508783039
Energy: 0.9178746195841181
Energy: 0.8662883508795626
Energy: 0.9363764401264638
Energy: 0.8657735317989007
Energy: 0.9476482996003722
Energy: 0.8657735318013893
Energy: 0.9225627525153964
Energy: 0.9007707171010064
Energy: 0.9867871188615949
Energy: 0.9007707170997479
Energy: 0.915635468648865
Energy: 0.9004040035420947
Energy: 0.9353046955265719
Energy: 0.9004040035408359
Energy: 0.9144456477071996
Energy: 0.9024664049879464
Energy: 0.9132261709147184
Energy: 0.9024664049954982
Energy: 0.9547550373369068
Energy: 0.9318947731586267
Energy: 0.9285786638957068
Energy: 0.931894773157368
Energy: 0.9575680098392433
Energy: 0.9321553273853075
Energy: 0.9327071242592749
Energy: 0.9321553273840487
Energy: 0.912683149363972
Energy: 1.021440587863522
Energy: 0.928883570667391
Energy: 1.0214405878647808
Energy: 0.9304822780048068
Energy: 0.9314407746707511
Energy: 0.9095157863952754
Energy: 0.9314407746745269
Energy: 0.9267595618781336
Energy: 0.932796455362328
Energy: 0.9109287901968274
Energy: 0.9327964553610694
Energy: 0.9278549855914225
Energy: 0.9244315478301032
Energy: 0.9285010692832175
Energy: 0.9244315477999244
Energy: 0.9058828043088046
Energy: 0.9312798609420748
Energy: 0.9307647978928167
Energy: 0.9312798609420748

minimum gb energy = 0.8409595990432993 eV
minimum distance =  2.26522472531622 Angstroms
sigma value = 15


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

Energy: 1.0389627795880962
Energy: 1.0006026728866808
Energy: 1.0396585222660812
Energy: 1.0006026728813495
Energy: 0.8748893265121156
Energy: 0.8644214315155011
Energy: 0.8616408728049608
Energy: 0.8644214315176335
Energy: 0.8806596644135875
Energy: 0.8749814663502588
Energy: 0.852041911282139
Energy: 0.8749814663502588
Energy: 0.8689513935631447
Energy: 0.8739825317672862
Energy: 0.8556185322845988
Energy: 0.8739825317672862
Energy: 0.8585430341833035
Energy: 0.8599321376663972
Energy: 0.857954636571238
Energy: 0.8599321379264642
Energy: 0.8649043572872325
Energy: 0.8455040385140011
Energy: 0.8547547568340936
Energy: 0.84550403850867
Energy: 0.8781077490924419
Energy: 0.8463238137053631
Energy: 0.8604498962376159
Energy: 0.8463238137085619
Energy: 0.8832108193193469
Energy: 0.9039867414229117
Energy: 0.8751257196447115
Energy: 0.9039867414229117
Energy: 0.8583320115082551
Energy: 0.8151583987567087
Energy: 0.8605249008737835
Energy: 0.8151583987535098
Energy: 0.8634595884165557
Energy: 0.8142553917163484
Energy: 0.876264741200038
Energy: 0.8142553917163484
Energy: 0.8879898964089894
Energy: 0.8915041260173092
Energy: 0.9126695713493741
Energy: 0.8915041260301043
Energy: 1.003912992456735
Energy: 0.7940974696189437
Energy: 0.8677732346297574
Energy: 0.7940974696178774
Energy: 0.9222521929507824
Energy: 0.7967599509607813
Energy: 0.8748717407653047
Energy: 0.7967599509650463
Energy: 0.9239713705916222
Energy: 0.7828404262179324
Energy: 0.8940653870195676
Energy: 0.7828404262179324
Energy: 0.895035858296567
Energy: 0.783883326633972
Energy: 0.9686632078131587
Energy: 0.783883326633972
Energy: 0.8983224937967725
Energy: 0.7857956139586508
Energy: 0.9215400391917782
Energy: 0.7857956139607832
Energy: 0.9317459764560931
Energy: 0.7882567014625543
Energy: 0.921763363935448
Energy: 0.7882567014604218
Energy: 0.9253123131893111
Energy: 0.7795503313169714
Energy: 0.9263982551056035
Energy: 0.7795503313244351
Energy: 0.9223453465634407
Energy: 0.7874665284681285
Energy: 0.931320688775368
Energy: 0.7874665284713273
Energy: 0.9220153159979482
Energy: 0.7878923883472123
Energy: 0.9022494156323583
Energy: 0.7878923883461462
Energy: 0.9676779114429411
Energy: 0.7843758302827081
Energy: 0.8959223936442372
Energy: 0.7843758302848405
Energy: 0.9653323043173726
Energy: 0.7831873218346431
Energy: 0.9223776225865588
Energy: 0.7831873218346431
Energy: 0.8839627282657668
Energy: 0.7950050874513989
Energy: 0.9184536256496706
Energy: 0.7950050874513989
Energy: 0.8679466311696401
Energy: 0.7939858749321581
Energy: 0.9472726481838398
Energy: 0.7939858749374894
Energy: 0.9122000585544748
Energy: 0.9267768978163511
Energy: 0.8882007652611474
Energy: 0.92677689781955
Energy: 0.9136727920602618
Energy: 0.8155788664096478
Energy: 0.8600569289726249
Energy: 0.8155788664128464
Energy: 0.8893680201342661
Energy: 0.8147463330747444
Energy: 0.8576035328752816
Energy: 0.8147463330800272
Energy: 0.8754039353780229
Energy: 0.9044910255256351
Energy: 0.8843238892160163
Energy: 0.9044910254414502
Energy: 0.8548527475982537
Energy: 0.8465532547802372
Energy: 0.8704239776682481
Energy: 0.8465532547802372
Energy: 0.8621423284731283
Energy: 0.8454464518989251
Energy: 0.8590829853313066
Energy: 0.845446451902124
Energy: 0.8604362562429213
Energy: 0.8879371553746223
Energy: 0.9077214948266146
Energy: 0.8879371552840398
Energy: 0.8708685565070553
Energy: 0.874451357548187
Energy: 0.8688485717287195
Energy: 0.8744513575449882
Energy: 0.8750287742790968
Energy: 0.8737020680585664
Energy: 0.8787784070021839
Energy: 0.8737020680532352
Energy: 0.8586481275243609
Energy: 0.8637095766098193
Energy: 0.8720951931675142
Energy: 0.8637095765693019
Energy: 0.9998429440963816
Energy: 0.8692714972034746
Energy: 0.8738841636074143
Energy: 0.8692714972066734
Energy: 0.8693418463808091
Energy: 0.8759102990960675
Energy: 0.8556296076210888
Energy: 0.8759102991003325
Energy: 0.8536488658048963
Energy: 0.8760588605874479
Energy: 0.874715922554457
Energy: 0.8760588605831829

minimum gb energy = 0.7795503313169714 eV
minimum distance =  2.2629884899076 Angstroms
sigma value = 85


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

Energy: 1.0092827508324407
Energy: 0.8996847183970894
Energy: 0.8866879884694385
Energy: 0.8996847183933906
Energy: 0.7682902072043519
Energy: 0.7717500095012104
Energy: 0.7646725744503196
Energy: 0.7717500087598704
Energy: 0.7677727568577433
Energy: 0.7696095897231239
Energy: 0.8003403665360788
Energy: 0.7696095897212742
Energy: 0.7679230289045713
Energy: 0.7699688129071054
Energy: 0.778376690907515
Energy: 0.7699688129061808
Energy: 0.7946749007516036
Energy: 0.7966513933653692
Energy: 0.7641209189902541
Energy: 0.7966513935197406
Energy: 0.7526017383976388
Energy: 0.7530197946342557
Energy: 0.7648972913345118
Energy: 0.753019794633331
Energy: 0.7565167588083829
Energy: 0.7531104930831679
Energy: 0.7645043910413326
Energy: 0.7531104930813183
Energy: 0.7959369489164733
Energy: 0.7980171259317378
Energy: 0.7657033051783206
Energy: 0.7980171259317378
Energy: 0.7719416596951658
Energy: 0.7335709764046658
Energy: 0.7570246746644697
Energy: 0.7335709764028164
Energy: 0.7724441331125841
Energy: 0.7330169951762233
Energy: 0.7570748743986869
Energy: 0.7330169951762233
Energy: 0.7751594561173705
Energy: 0.8297439246629715
Energy: 0.8266964690669386
Energy: 0.8297439246500249
Energy: 0.8543130159982145
Energy: 0.7220145217829008
Energy: 0.7900477458854573
Energy: 0.7220145217819762
Energy: 0.8378256800747375
Energy: 0.7236042251814424
Energy: 0.8051641658329782
Energy: 0.7236042251823671
Energy: 0.8372787958016361
Energy: 0.7174256882539313
Energy: 0.8164619707714442
Energy: 0.7174256882539313
Energy: 0.815791925976986
Energy: 0.7163782587066226
Energy: 0.9202002993511926
Energy: 0.7163782587084722
Energy: 0.8280391281244565
Energy: 0.7180677779190391
Energy: 0.84759901400689
Energy: 0.7180677779190391
Energy: 0.9038275076473179
Energy: 0.7158920106268322
Energy: 0.8480008964535156
Energy: 0.7158920106259076
Energy: 0.905998752745611
Energy: 0.7140628115846173
Energy: 0.8434018827589757
Energy: 0.7140628115864667
Energy: 0.8523341254438742
Energy: 0.7147796255105507
Energy: 0.8515288074480359
Energy: 0.7147796255142498
Energy: 0.8520701308539261
Energy: 0.7151088101040728
Energy: 0.878845757530793
Energy: 0.7151088101049976
Energy: 0.8724049518448496
Energy: 0.7161467284510117
Energy: 0.8733561116346246
Energy: 0.7161467284519364
Energy: 0.8392913581786955
Energy: 0.7138583996364143
Energy: 0.8525752381669257
Energy: 0.7138583996373389
Energy: 0.847496055160949
Energy: 0.7143866087506586
Energy: 0.8543279123455089
Energy: 0.7143866087506586
Energy: 0.8437745124870505
Energy: 0.7146762832891508
Energy: 0.9051217801602921
Energy: 0.714676283288226
Energy: 0.8482281077863857
Energy: 0.9026715496582437
Energy: 0.8303903783635566
Energy: 0.902671549661018
Energy: 0.9212047388250569
Energy: 0.7171997122610851
Energy: 0.817138537280123
Energy: 0.7171997122601605
Energy: 0.8611290343900421
Energy: 0.7170253915800019
Energy: 0.8142680978213027
Energy: 0.7170253915809266
Energy: 0.8150317555622136
Energy: 0.8157050799156368
Energy: 0.8370926834078163
Energy: 0.8157050799165615
Energy: 0.7939577946305155
Energy: 0.7217712715798794
Energy: 0.7752429614955026
Energy: 0.7217712715798794
Energy: 0.7898787449438033
Energy: 0.7227502620163296
Energy: 0.7753227997547272
Energy: 0.7227502620154048
Energy: 0.8270793475276792
Energy: 0.7750360183780557
Energy: 0.7751303226681767
Energy: 0.7750360183780557
Energy: 0.8368287985085505
Energy: 0.7325007638622847
Energy: 0.7731058480722662
Energy: 0.7325007638632095
Energy: 0.7647155617542635
Energy: 0.7345895703410757
Energy: 0.7737970645641891
Energy: 0.7345895703410757
Energy: 0.766004096365492
Energy: 0.7935142956820324
Energy: 0.8248295934164007
Energy: 0.7935142957125283
Energy: 0.7709333339868127
Energy: 0.7520462988864635
Energy: 0.8478147419092509
Energy: 0.7520462988864635
Energy: 0.7653433670770802
Energy: 0.7546665293009132
Energy: 0.7660311857297714
Energy: 0.7546665293036874
Energy: 0.7841697103073789
Energy: 0.7678209257621559
Energy: 0.7950515893227724
Energy: 0.7678209257612311
Energy: 0.7687018216746602
Energy: 0.7687948778745861
Energy: 0.7689753695275713
Energy: 0.7687948778727366
Energy: 0.7658965677994327
Energy: 0.7855693730696005
Energy: 0.7680301487190829
Energy: 0.7855693730723747
Energy: 0.7641768798762897
Energy: 0.7683736646921144
Energy: 0.8223583234693287
Energy: 0.7683736646921144
Energy: 0.7677272337036455
Energy: 0.7700313415583059
Energy: 0.7822591006868811
Energy: 0.7700313415592307
Energy: 0.7676698858302371
Energy: 0.7706565740256824
Energy: 0.7679636175248983
Energy: 0.770656573917528
Energy: 0.7833222176879586
Energy: 0.7690066408634181
Energy: 0.767632143536025
Energy: 0.7690066408643429

minimum gb energy = 0.7138583996364143 eV
minimum distance =  2.26320573817527 Angstroms
sigma value = 113


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

Energy: 0.014034170056770505
Energy: 0.10371796985716657
Energy: 0.865009369076649
Energy: 0.10371796985787747
Energy: 0.09403608065129665
Energy: 0.10416957956518451
Energy: 0.09270514286129386
Energy: 0.10416957956518451
Energy: 0.08956666748950212
Energy: 0.10429254719190226
Energy: 0.014728972820739254
Energy: 0.10429254719119134
Energy: 0.08982487301431173
Energy: 0.10496660996333428
Energy: 0.016145579511327956
Energy: 0.10496660996333428
Energy: 0.0907745397216073
Energy: 0.10368583120919685
Energy: 0.09169955113732742
Energy: 0.10368583120919685
Energy: 0.014613413021675443
Energy: 0.1063625315484413
Energy: 0.08947796459754973
Energy: 0.10636253154911271

minimum gb energy = 0.014034170056770505 eV
minimum distance =  2.44461469272645 Angstroms
sigma value = 1