Model name: model_name=EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049696564674378
cohesive_energy=3.3687229668997767
mass=26.981538
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=[1.5504119091320937e-19, 2.2559768530363795e-19, 2.7727268828003996e-19, 3.18145816390014e-19, 3.51743460404994e-19, 3.79997845345584e-19, 4.04110603687284e-19, 4.24882823747094e-19, 4.428880847599859e-19, 4.58555770063872e-19, 4.72206314985552e-19, 4.8410568084627e-19, 4.94460548431812e-19, 5.03429533228944e-19, 5.11153626781458e-19, 5.177513901602699e-19, 5.233253626699559e-19, 5.279604596721179e-19, 5.317303812919199e-19, 5.347040211246239e-19, 5.3693745535242e-19, 5.384835558042299e-19, 5.393855812491719e-19, 5.396867904563639e-19, 5.39390387779074e-19, 5.384162643856019e-19, 5.366490635583e-19, 5.339558046365459e-19, 5.30187485193378e-19, 5.25155048385984e-19, 5.1863739383887195e-19, 5.10371764584066e-19, 5.00037725294766e-19, 4.87255560108714e-19, 4.7155422909551395e-19, 4.52360153020194e-19, 4.2896196545725796e-19, 4.0047526490473795e-19, 3.6579615166180794e-19, 3.2351150593728e-19, 2.71794846368394e-19, 2.0827975806673198e-19, 1.2986234423924578e-19, 3.23626862654928e-20, -8.98849930853412e-20, -2.4479977226212796e-19, -4.43631494718162e-19, -7.02721080378936e-19, -1.0470656890881179e-18, -1.515729591535896e-18, -6.4003752175032e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010352327344120062
Energy: 0.010699558500903839
Energy: 0.18568159701700954
Energy: 0.010699558500903839
Energy: 0.010699558501375864
Energy: 0.17455077648474326
Energy: 0.010699558501375864
Energy: 0.17455077648524306
Energy: 0.18568159701700954
Energy: 0.010699558501375864
Energy: 0.010352327344120062
Energy: 0.010699558501375864
Energy: 0.010699558501375864
Energy: 0.17455077648524306
Energy: 0.010699558501375864
Energy: 0.17455077648329945

minimum gb energy = 0.010352327344120062 eV
minimum distance =  2.77059714082498 Angstroms
sigma value = 1


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

Energy: 0.45971965192527753
Energy: 0.3701663639120855
Energy: 0.4028009077993417
Energy: 0.3701663638787479
Energy: 0.3554439853067916
Energy: 0.4018771726630941
Energy: 0.361221981819795
Energy: 0.4018771726630941
Energy: 0.40421801548309416
Energy: 0.4022336846235354
Energy: 0.5041555355604201
Energy: 0.4022336846229293
Energy: 0.3616449586283997
Energy: 0.36089814565890427
Energy: 0.36138975934919454
Energy: 0.3608981456389017
Energy: 0.43063961242554016
Energy: 0.3705157361083959
Energy: 0.3634148322734706
Energy: 0.3705157361083959
Energy: 0.3604646659947353
Energy: 0.3595001320164712
Energy: 0.3620170329606663
Energy: 0.35950013201707726
Energy: 0.36043825577869104
Energy: 0.3595912436854638
Energy: 0.4299199885395229
Energy: 0.35959124368788836
Energy: 0.36617425345936583
Energy: 0.3940912347520362
Energy: 0.36978907791553983
Energy: 0.39409123475143004
Energy: 0.3814495672526195
Energy: 0.3566206900564907
Energy: 0.3830525670419788
Energy: 0.3566206900564907
Energy: 0.3986351058239732
Energy: 0.3805982382219905
Energy: 0.3721825885701029
Energy: 0.3805982382219905
Energy: 0.3963706137991198
Energy: 0.3568339450110601
Energy: 0.38374406474364664
Energy: 0.3568339450104539
Energy: 0.36096114846602007
Energy: 0.3914830848437532
Energy: 0.37001860501234063
Energy: 0.3914830848443594
Energy: 0.3600800835518698
Energy: 0.3605385423821986
Energy: 0.35490378879703843
Energy: 0.3605385423809863
Energy: 0.36137266555170733
Energy: 0.35992718933005785
Energy: 0.35420177863492114
Energy: 0.35992718933066403
Energy: 0.3551131009797946
Energy: 0.3614608409254168
Energy: 0.36237277762515063
Energy: 0.3614608409248107
Energy: 0.3702986778981688
Energy: 0.36050267689667964
Energy: 0.36139457128684827
Energy: 0.36050267689667964
Energy: 0.4025943320595493
Energy: 0.4033746762265575
Energy: 0.3656886261482376
Energy: 0.40337467624532025
Energy: 0.3608851833734164
Energy: 0.3602133298396879
Energy: 0.35448309218191376
Energy: 0.3602133298396879
Energy: 0.3615844880514712
Energy: 0.40201821535537374
Energy: 0.40560968035726647
Energy: 0.4020182153590106
Energy: 0.3620174903740203
Energy: 0.36019381277849455
Energy: 0.36202296490652525
Energy: 0.36019381277849455
Energy: 0.36257522764022515
Energy: 0.3708269837494456
Energy: 0.4303226849188708
Energy: 0.3708269837494456
Energy: 0.3609724663274357
Energy: 0.36109193455929744
Energy: 0.3609890505068201
Energy: 0.3610919345647527
Energy: 0.4299852237666347
Energy: 0.3651844735648339
Energy: 0.3611718789250715
Energy: 0.36518447356544
Energy: 0.37003126379137147
Energy: 0.3938848131068511
Energy: 0.3636790847108898
Energy: 0.3938848131080634
Energy: 0.3783458421789474
Energy: 0.3560530297725047
Energy: 0.38191556182082
Energy: 0.3560530297718986
Energy: 0.3731277709818581
Energy: 0.3799467858753676
Energy: 0.40023589724822695
Energy: 0.37994678587476155
Energy: 0.38196919247714656
Energy: 0.35692572346274876
Energy: 0.3920691727535727
Energy: 0.35692572346274876
Energy: 0.37009414350259334
Energy: 0.35676084636052546
Energy: 0.3601579844994658
Energy: 0.35676084636173777
Energy: 0.3548908872621487
Energy: 0.3601557075631311
Energy: 0.3594242928752015
Energy: 0.3601557075631311
Energy: 0.3542949751563494
Energy: 0.36127210337537446
Energy: 0.36250057334862135
Energy: 0.3612721033759806
Energy: 0.36199534344790707
Energy: 0.36141527990042477
Energy: 0.3540989594263565
Energy: 0.36141527990042477
Energy: 0.3610130012353852
Energy: 0.36050722710016675
Energy: 0.37080469272867533
Energy: 0.36050722710016675
Energy: 0.3656652453206817
Energy: 0.3703527312490104
Energy: 0.4040190231789174
Energy: 0.3703527312508288

minimum gb energy = 0.3540989594263565 eV
minimum distance =  2.61368450701995 Angstroms
sigma value = 1


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

Energy: 0.5295601747167421
Energy: 0.3766048517066649
Energy: 0.41591072856563416
Energy: 0.37660485170459157
Energy: 0.3617511122149016
Energy: 0.41317321555554415
Energy: 0.3688884994539237
Energy: 0.41317321555761743
Energy: 0.41769200046042076
Energy: 0.41606381447943036
Energy: 0.48509365577475877
Energy: 0.4160638144801214
Energy: 0.3701543947821812
Energy: 0.36886320815601326
Energy: 0.36825617774918173
Energy: 0.36886320815874624
Energy: 0.48505821274416827
Energy: 0.3684993009789833
Energy: 0.3719214197365396
Energy: 0.36849930097276334
Energy: 0.37581976923515226
Energy: 0.3705306945935405
Energy: 0.36856708780814634
Energy: 0.3705306945700743
Energy: 0.37327332773044036
Energy: 0.3738146166993467
Energy: 0.4099340658554225
Energy: 0.3738146167000378
Energy: 0.3744581749624051
Energy: 0.39374491512872745
Energy: 0.39501567642663055
Energy: 0.3937449151245808
Energy: 0.40977644745276187
Energy: 0.3698696057598429
Energy: 0.3821954703168974
Energy: 0.3698696057584607
Energy: 0.3954238420717758
Energy: 0.37033389066806954
Energy: 0.3763828437953232
Energy: 0.37033389067152506
Energy: 0.43213019817623316
Energy: 0.37388154442121313
Energy: 0.37384391389384963
Energy: 0.3738815444156843
Energy: 0.3613969953731074
Energy: 0.37000799786885213
Energy: 0.37674931906453213
Energy: 0.37000799786677874
Energy: 0.3701118118076104
Energy: 0.3684081305118061
Energy: 0.43526629892515234
Energy: 0.3684081305131883
Energy: 0.36899105012404393
Energy: 0.3685944967866538
Energy: 0.3759740509507914
Energy: 0.36859449678596273
Energy: 0.37269993226394293
Energy: 0.41672518980245815
Energy: 0.4150462995628794
Energy: 0.416725189807987
Energy: 0.3625443753693582
Energy: 0.3685873768460556
Energy: 0.36897862225895883
Energy: 0.36858737685020226
Energy: 0.418827518515099
Energy: 0.41641096836389857
Energy: 0.3667614950781805
Energy: 0.41641096836389857
Energy: 0.3696575038869464
Energy: 0.3687908695274995
Energy: 0.3767573483735911
Energy: 0.3687908695288817
Energy: 0.36741825078680823
Energy: 0.3703783238225896
Energy: 0.3703839555878502
Energy: 0.3703783238149874
Energy: 0.37603396112354504
Energy: 0.3688211393412963
Energy: 0.36899008755517965
Energy: 0.3688211393447518
Energy: 0.3721145845600803
Energy: 0.37836493558264483
Energy: 0.41077246593463634
Energy: 0.3783649355805715
Energy: 0.3723712913524426
Energy: 0.37085157743726804
Energy: 0.39553317820413386
Energy: 0.3708515774421058
Energy: 0.40975263223565833
Energy: 0.3705615484117969
Energy: 0.37934205748688454
Energy: 0.37056154840626804
Energy: 0.3759530379657641
Energy: 0.37239692158854143
Energy: 0.378962247330118
Energy: 0.3723969215899236
Energy: 0.362093398661094
Energy: 0.37256060948428416
Energy: 0.37253912739327744
Energy: 0.3725606094815197
Energy: 0.36148782291137194
Energy: 0.3702321620266319
Energy: 0.3749596758892373
Energy: 0.3702321620280141
Energy: 0.36963741056740845
Energy: 0.3682520066233005
Energy: 0.3613926623331063
Energy: 0.3682520066212272
Energy: 0.36894641655094557
Energy: 0.36892699699614745
Energy: 0.37330135625911864
Energy: 0.3689269969920009
Energy: 0.3726310552139361
Energy: 0.3698636205834876
Energy: 0.4169219000639408
Energy: 0.36986362057588545

minimum gb energy = 0.3613926623331063 eV
minimum distance =  2.5754696634965 Angstroms
sigma value = 25


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

Energy: 0.5426382735981999
Energy: 0.40469731393978364
Energy: 0.4336606229312501
Energy: 0.40469731394058706
Energy: 0.37400324220562037
Energy: 0.42561906134170413
Energy: 0.38316733383431667
Energy: 0.42561906134009736
Energy: 0.43742460326459637
Energy: 0.43576876276819726
Energy: 0.4830809909034347
Energy: 0.43576876276819726
Energy: 0.3854934134331432
Energy: 0.38402276300279753
Energy: 0.3831708963331003
Energy: 0.3840227630036009
Energy: 0.48318321627124355
Energy: 0.3838416984591127
Energy: 0.3863188622290126
Energy: 0.3838416984583093
Energy: 0.38996729811262726
Energy: 0.43457235632502306
Energy: 0.3830352333904345
Energy: 0.43457235632343455
Energy: 0.4009838549006744
Energy: 0.39441064998953534
Energy: 0.40210688392052785
Energy: 0.39441064998953534
Energy: 0.38901246048825844
Energy: 0.40837789781492384
Energy: 0.39552036752099573
Energy: 0.40837789781492384
Energy: 0.4031538275191762
Energy: 0.3936460005366673
Energy: 0.3732573227563928
Energy: 0.39364600053827414
Energy: 0.3902938858163608
Energy: 0.3946521046325512
Energy: 0.37643343134651297
Energy: 0.39465210463335454
Energy: 0.381836051166058
Energy: 0.39623256454780176
Energy: 0.39749971646182947
Energy: 0.3962325645469983
Energy: 0.38254377152817326
Energy: 0.37118385253825925
Energy: 0.36949412995886594
Energy: 0.37118385253825925
Energy: 0.3823384568251057
Energy: 0.3784409840412902
Energy: 0.37785614403774853
Energy: 0.3784409840412902
Energy: 0.3832940091185582
Energy: 0.3780403780104472
Energy: 0.36955405825820026
Energy: 0.3780403780136607
Energy: 0.37766306138419653
Energy: 0.4497875809342493
Energy: 0.45165270310766414
Energy: 0.44978758093344595
Energy: 0.3871995512231604
Energy: 0.37056154852902
Energy: 0.3754541897499079
Energy: 0.3705615485298234
Energy: 0.3875394482052245
Energy: 0.38966188890727266
Energy: 0.37852262212907284
Energy: 0.3896618889088795
Energy: 0.38654254828417034
Energy: 0.38832293287163233
Energy: 0.3752973052419842
Energy: 0.3883229328700255
Energy: 0.402575159299593
Energy: 0.3941672629893002
Energy: 0.39161581189905875
Energy: 0.39416726298849686
Energy: 0.3836483829376499
Energy: 0.39013892092790653
Energy: 0.3891511921824746
Energy: 0.39013892092629976
Energy: 0.3735780118685008
Energy: 0.39416389390274775
Energy: 0.39915264691486424
Energy: 0.39416389390274775
Energy: 0.3734458610468949
Energy: 0.3934025034215961
Energy: 0.38965717298816716
Energy: 0.39340250340874183
Energy: 0.3811440326944903
Energy: 0.38157361149227365
Energy: 0.38274604066973644
Energy: 0.38157361149227365
Energy: 0.3797674099426452
Energy: 0.38197495393040476
Energy: 0.3823179971130014
Energy: 0.3819749539296013
Energy: 0.38191689755023467
Energy: 0.3857162972761611
Energy: 0.43327973631776634
Energy: 0.3857162972761611

minimum gb energy = 0.36949412995886594 eV
minimum distance =  2.56451797906808 Angstroms
sigma value = 9


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

Energy: 0.46841088219317983
Energy: 0.378612068312664
Energy: 0.44027456002590665
Energy: 0.3786120683136224
Energy: 0.3818594358067694
Energy: 0.41639924755263963
Energy: 0.3819879292302926
Energy: 0.4163992475516812
Energy: 0.4393489738354873
Energy: 0.43918063986934014
Energy: 0.3792212434931
Energy: 0.43918063986838174
Energy: 0.3790732519407947
Energy: 0.41955003248828154
Energy: 0.3810232203455455
Energy: 0.41955003248828154
Energy: 0.42379268297923317
Energy: 0.3815349389757267
Energy: 0.37963499334426676
Energy: 0.38153493899201935
Energy: 0.3804053354234744
Energy: 0.38168213374146154
Energy: 0.38338693811586394
Energy: 0.381682133735733
Energy: 0.3810937377285408
Energy: 0.3972512930823141
Energy: 0.3808595245444758
Energy: 0.39725129308135576
Energy: 0.3822123129369582
Energy: 0.39687286064675237
Energy: 0.4150100508205782
Energy: 0.3968728606477108
Energy: 0.38100983253955273
Energy: 0.3822992137813066
Energy: 0.37535721641576153
Energy: 0.3822992137813066
Energy: 0.3818908013109415
Energy: 0.38292520163647875
Energy: 0.3752766056399164
Energy: 0.38292520163935395
Energy: 0.3748242212025384
Energy: 0.4378159013532208
Energy: 0.4385356543245695
Energy: 0.4378159013532208
Energy: 0.380792884075868
Energy: 0.38156838743416016
Energy: 0.3820843575822338
Energy: 0.38156838743799376
Energy: 0.43679248965426715
Energy: 0.4411631643756175
Energy: 0.3786010540260878
Energy: 0.4411631643765759
Energy: 0.378922179873744
Energy: 0.4215616165226297
Energy: 0.37726957407768813
Energy: 0.42156161652073465
Energy: 0.379761508671628
Energy: 0.3873835925549947
Energy: 0.38116021381129866
Energy: 0.3873835925569115
Energy: 0.3806868338461859
Energy: 0.38008823857848895
Energy: 0.3812479998948704
Energy: 0.3800882385794256
Energy: 0.38174004271022394
Energy: 0.39911564531984883
Energy: 0.425767933898121
Energy: 0.39911564531984883
Energy: 0.3810047091987723
Energy: 0.395724141146019
Energy: 0.3822915067751815
Energy: 0.3957241411498526
Energy: 0.37950122358996513
Energy: 0.3857358542760693
Energy: 0.3751585235003566
Energy: 0.3857358542741526
Energy: 0.38230035150085606
Energy: 0.3826894263936813
Energy: 0.375218772957801
Energy: 0.3826894263927229
Energy: 0.37447630988249536
Energy: 0.3823640673146168
Energy: 0.43669627613362955
Energy: 0.3823640673117416

minimum gb energy = 0.37447630988249536 eV
minimum distance =  2.5816605045643 Angstroms
sigma value = 25


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

Energy: 0.419067475040033
Energy: 0.36758597709004587
Energy: 0.4440480738618665
Energy: 0.36758597710189816
Energy: 0.3650114355604263
Energy: 0.39332878367377094
Energy: 0.37442443843089773
Energy: 0.39332878367377094
Energy: 0.44319227269774053
Energy: 0.4444710476101872
Energy: 0.3665219057911369
Energy: 0.4444710476101872
Energy: 0.3663295128489977
Energy: 0.3937167244878947
Energy: 0.37401158243370425
Energy: 0.3937167244878947
Energy: 0.3911296994548606
Energy: 0.3946850531330731
Energy: 0.37668069103936336
Energy: 0.3946850531330731
Energy: 0.3659963570375309
Energy: 0.3950497386120657
Energy: 0.3729060729914401
Energy: 0.3950497386120657
Energy: 0.3648452609843026
Energy: 0.39542803854200415
Energy: 0.39050133834189776
Energy: 0.39542803854200415
Energy: 0.3649061153439458
Energy: 0.40284588907249486
Energy: 0.3755212840734054
Energy: 0.4028458890736801
Energy: 0.44174427856491855
Energy: 0.4396500793842208
Energy: 0.3668128323303886
Energy: 0.439650079385406
Energy: 0.3755235420385492
Energy: 0.3969994320622478
Energy: 0.36507002993259013
Energy: 0.3969994320622478
Energy: 0.36703989136607923
Energy: 0.4429071358374702
Energy: 0.44045491624696625
Energy: 0.44290713583865543
Energy: 0.36525858622131124
Energy: 0.3947436974360134
Energy: 0.36610053741653886
Energy: 0.3947436974360134
Energy: 0.3734767762556648
Energy: 0.39468245176801414
Energy: 0.39109852813945656
Energy: 0.3946824517656437
Energy: 0.375564002912552
Energy: 0.3947763040637708
Energy: 0.3668827448107981
Energy: 0.3947763040637708
Energy: 0.39299147147123287
Energy: 0.39443022608759076
Energy: 0.3649825957000353
Energy: 0.3944302260864055
Energy: 0.3737493565241501
Energy: 0.40034022569964656
Energy: 0.36516369654764474
Energy: 0.40034022569964656
Energy: 0.3653815622017955
Energy: 0.40143842469507873
Energy: 0.44366853069540474
Energy: 0.40143842469507873

minimum gb energy = 0.3648452609843026 eV
minimum distance =  2.60835183531737 Angstroms
sigma value = 17


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

Energy: 0.6072569820316346
Energy: 0.44269433005798076
Energy: 0.49285502818004473
Energy: 0.4426943300573095
Energy: 0.3732784683066168
Energy: 0.40668739378303514
Energy: 0.39562565680879
Energy: 0.40668739378303514
Energy: 0.40879209516952625
Energy: 0.40764315701625303
Energy: 0.417410764317593
Energy: 0.40764315701692433
Energy: 0.39789851794869496
Energy: 0.40687142926521047
Energy: 0.3947790752948879
Energy: 0.4068714292658817
Energy: 0.3954369213218175
Energy: 0.42112545142518193
Energy: 0.37293343540044094
Energy: 0.42112545142518193
Energy: 0.3951851850918729
Energy: 0.41321941860139505
Energy: 0.3958046099474143
Energy: 0.4132194186107622
Energy: 0.4156216975522435
Energy: 0.4021357594223217
Energy: 0.4073674946995943
Energy: 0.4021357594223217
Energy: 0.41662334847186416
Energy: 0.40082595447477365
Energy: 0.3817632265846718
Energy: 0.40082595447343117
Energy: 0.4900230688001353
Energy: 0.48534685272074823
Energy: 0.41769417071928683
Energy: 0.48534685272074823
Energy: 0.4279264013802952
Energy: 0.4055766938551295
Energy: 0.3955639002093024
Energy: 0.40557669385647205
Energy: 0.3948701173236624
Energy: 0.38216580644397175
Energy: 0.3777083696236028
Energy: 0.3821658064339028
Energy: 0.4195007756704535
Energy: 0.3840302645214061
Energy: 0.38058349378623146
Energy: 0.38403026452274863
Energy: 0.4152963988037052
Energy: 0.3885262356696966
Energy: 0.3897638292217576
Energy: 0.3885262356676828
Energy: 0.41583061527183923
Energy: 0.4017315615316515
Energy: 0.3778323025340805
Energy: 0.4017315615309802
Energy: 0.48597925281158055
Energy: 0.42063373282965144
Energy: 0.4157487509547694
Energy: 0.4206337328283089
Energy: 0.48853550552081826
Energy: 0.4227151399159769
Energy: 0.4158656488134359
Energy: 0.4227151399159769
Energy: 0.41845804157903693
Energy: 0.40055402621341574
Energy: 0.3787593242211924
Energy: 0.4005540262120732
Energy: 0.4186168824912203
Energy: 0.40015192326435867
Energy: 0.40789533802874056
Energy: 0.4001519232650299
Energy: 0.3967229192127775
Energy: 0.4215734727773517
Energy: 0.3965498049852227
Energy: 0.4215734727786942
Energy: 0.40408145708888965
Energy: 0.4222664522528527
Energy: 0.3960829207915751
Energy: 0.4222664522528527
Energy: 0.3953394165201774
Energy: 0.4065055464049855
Energy: 0.4157853890989815
Energy: 0.4065055464056568
Energy: 0.4088144666281959
Energy: 0.40760169982094613
Energy: 0.4853479263008374
Energy: 0.40760169982094613
Energy: 0.3945337955945956
Energy: 0.4070757255236214
Energy: 0.39504600757365754
Energy: 0.4070757255236214
Energy: 0.4166641481123252
Energy: 0.4851616075269521
Energy: 0.4847714323343396
Energy: 0.48516160752560955
Energy: 0.3819479608033886
Energy: 0.395768888927387
Energy: 0.4185051560060616
Energy: 0.3957688889287295
Energy: 0.3813409198717226
Energy: 0.38934988061730647
Energy: 0.39440407977966047
Energy: 0.3893498806166352
Energy: 0.3771291470657678
Energy: 0.3790169076660071
Energy: 0.41645108944328457
Energy: 0.3790169076660071
Energy: 0.37981252204852023
Energy: 0.3904439454261893
Energy: 0.4159637577230409
Energy: 0.3904439454255181
Energy: 0.3825633845356361
Energy: 0.40579606237715016
Energy: 0.41511441453852843
Energy: 0.4057960623764789
Energy: 0.41639517000839826
Energy: 0.4854453433712883
Energy: 0.4841796662587639
Energy: 0.4854453433712883

minimum gb energy = 0.37293343540044094 eV
minimum distance =  2.60485341962928 Angstroms
sigma value = 53


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

Energy: 0.5482718237060394
Energy: 0.330916897109199
Energy: 0.42949321261827816
Energy: 0.33091689711074435
Energy: 0.47473145287219837
Energy: 0.3596845537951563
Energy: 0.4058240783262699
Energy: 0.3596845537951563
Energy: 0.42690597065940883
Energy: 0.42729336596742656
Energy: 0.4029305294214511
Energy: 0.42729336596742656
Energy: 0.4055589207258952
Energy: 0.3598519356474271
Energy: 0.4058819608299192
Energy: 0.3598519356474271
Energy: 0.4060013352759149
Energy: 0.3639728527396774
Energy: 0.3316329406253059
Energy: 0.36397285273813196
Energy: 0.4044729351503679
Energy: 0.361691729562661
Energy: 0.3306065413284591
Energy: 0.3616917295642063
Energy: 0.4731885071751616
Energy: 0.40676114863869084
Energy: 0.426970629626274
Energy: 0.40676114864178153
Energy: 0.47324252331628125
Energy: 0.36071010198533243
Energy: 0.4261780143760662
Energy: 0.36071010198533243
Energy: 0.42584184334844993
Energy: 0.427393572095156
Energy: 0.40263211101300206
Energy: 0.427393572095156
Energy: 0.4051203952944742
Energy: 0.3603809045381324
Energy: 0.40592704084593373
Energy: 0.3603809045381324
Energy: 0.40641813609705285
Energy: 0.36107025154716854
Energy: 0.33085960296811145
Energy: 0.36107025154407785
Energy: 0.404748006846499
Energy: 0.3598614912139012
Energy: 0.33273052125212194
Energy: 0.3598614912154465
Energy: 0.4734261900270917
Energy: 0.3608304976990921
Energy: 0.42676495121089536
Energy: 0.3608304976990921

minimum gb energy = 0.3306065413284591 eV
minimum distance =  2.63039188516357 Angstroms
sigma value = 9


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

Energy: 0.5490817665683777
Energy: 0.4274420682784921
Energy: 0.5032609982746117
Energy: 0.4274420682807799
Energy: 0.41656100517318545
Energy: 0.38533038564009414
Energy: 0.49768890595043985
Energy: 0.3853303856406661
Energy: 0.38404848082506465
Energy: 0.38480750921928913
Energy: 0.5005369783993479
Energy: 0.38480750921986107
Energy: 0.3840995911386716
Energy: 0.38467350947150813
Energy: 0.5154926155983424
Energy: 0.3846735094720801
Energy: 0.3872043894465832
Energy: 0.3881828064344069
Energy: 0.519869968381369
Energy: 0.38818280643383485
Energy: 0.38815607721746037
Energy: 0.3876889405735554
Energy: 0.5187121054918307
Energy: 0.3876889405701236
Energy: 0.4913565559837703
Energy: 0.48360120467098894
Energy: 0.49509737243069607
Energy: 0.483601204670417
Energy: 0.4879796871444706
Energy: 0.3847785172153161
Energy: 0.4862254696033375
Energy: 0.3847785172119104
Energy: 0.4141119551603225
Energy: 0.4090938692610406
Energy: 0.4196755452649837
Energy: 0.40909386925989666
Energy: 0.3856989917207319
Energy: 0.38532891778732814
Energy: 0.47917692826973984
Energy: 0.385328917789616
Energy: 0.4168168420112464
Energy: 0.4050788477201892
Energy: 0.4934033217528663
Energy: 0.4050788477213331
Energy: 0.4209441032722047
Energy: 0.4088325870191048
Energy: 0.5139435119837824
Energy: 0.4088325870185328
Energy: 0.49217864321720745
Energy: 0.40540827790770356
Energy: 0.41689452226711526
Energy: 0.40540827790770356
Energy: 0.49112285941861017
Energy: 0.4111895056372353
Energy: 0.42025849804742066
Energy: 0.4111895056360913
Energy: 0.4793873156134225
Energy: 0.4063463856525309
Energy: 0.4139958710772707
Energy: 0.4063463856525309
Energy: 0.45297696122519715
Energy: 0.4093651092229629
Energy: 0.4148497893408234
Energy: 0.4093651092229629
Energy: 0.4834461564294569
Energy: 0.38583380160281433
Energy: 0.4180862932621332
Energy: 0.38583380160167036
Energy: 0.49648563667104245
Energy: 0.4823648438704377
Energy: 0.548187007721895
Energy: 0.4823648438704377
Energy: 0.4950027186313896
Energy: 0.38495786018944195
Energy: 0.4157899007702081
Energy: 0.38495786018944195
Energy: 0.5037453513336535
Energy: 0.3846732854073752
Energy: 0.38416325152481967
Energy: 0.3846732854062313
Energy: 0.5160625257033401
Energy: 0.3847390816571983
Energy: 0.38475525962660906
Energy: 0.3847390816554824
Energy: 0.5181405834503239
Energy: 0.3875507826420847
Energy: 0.3869424614486544
Energy: 0.38755078261522846
Energy: 0.5190005603229264
Energy: 0.38860134995076845
Energy: 0.3868715439132933
Energy: 0.3886013499490526
Energy: 0.48925287363958037
Energy: 0.38559292945306406
Energy: 0.4904960995652462
Energy: 0.3855929294479164
Energy: 0.4881940470183908
Energy: 0.3846801295032122
Energy: 0.4889486624035681
Energy: 0.3846801295037841
Energy: 0.41841910888767114
Energy: 0.40517602150861887
Energy: 0.4147982708808651
Energy: 0.40517602150861887
Energy: 0.47970789000859193
Energy: 0.38592811083377465
Energy: 0.3868780172159264
Energy: 0.38592811083377465
Energy: 0.4937638409472651
Energy: 0.4060055921136255
Energy: 0.41547638638529283
Energy: 0.4060055921141975
Energy: 0.5431994099571142
Energy: 0.4090539996695617
Energy: 0.4196967500123899
Energy: 0.40905399966898975
Energy: 0.41829222532221944
Energy: 0.40523775066515527
Energy: 0.4914609846596642
Energy: 0.40523775066458334
Energy: 0.4223059970789158
Energy: 0.4092770837571402
Energy: 0.48447977149613103
Energy: 0.4092770837571402
Energy: 0.4135342422683825
Energy: 0.40814961101070885
Energy: 0.4799879396453699
Energy: 0.40814961101128083
Energy: 0.4160630705347729
Energy: 0.4082832704899779
Energy: 0.4498701410820871
Energy: 0.4082832704899779
Energy: 0.41824135932381584
Energy: 0.3862599217501354
Energy: 0.4412139305865404
Energy: 0.3862599217478475
Energy: 0.5448730640403262
Energy: 0.3856732919438794
Energy: 0.49137322827771124
Energy: 0.3856732922131698

minimum gb energy = 0.38404848082506465 eV
minimum distance =  2.57831145116452 Angstroms
sigma value = 73


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

Energy: 0.590669552379719
Energy: 0.41982225082914115
Energy: 0.4768123803719204
Energy: 0.4198222508282337
Energy: 0.42029312458017204
Energy: 0.3980149955037039
Energy: 0.4589974632642548
Energy: 0.3980149954837603
Energy: 0.3975731413866354
Energy: 0.39650744730844145
Energy: 0.48480397350126764
Energy: 0.3965074473093489
Energy: 0.39614403775616286
Energy: 0.41099558837855665
Energy: 0.5141192798305394
Energy: 0.41099558837946415
Energy: 0.4013729266676627
Energy: 0.4127069037371467
Energy: 0.5113789914641925
Energy: 0.4127069037371467
Energy: 0.4294226629713268
Energy: 0.39589379473623876
Energy: 0.48248422278598685
Energy: 0.3958937947353313
Energy: 0.5109179965438554
Energy: 0.4713737068453781
Energy: 0.4821191124030035
Energy: 0.4713737068435631
Energy: 0.4518049697177818
Energy: 0.39754409660436574
Energy: 0.4733015396430288
Energy: 0.39754409663882884
Energy: 0.42492847943754924
Energy: 0.3992921296590848
Energy: 0.4706102504621543
Energy: 0.3992921296590848
Energy: 0.42050473558878815
Energy: 0.39557158890237654
Energy: 0.46949033845723726
Energy: 0.39557158882979987
Energy: 0.4165081331854763
Energy: 0.39984539775980843
Energy: 0.4761805334239068
Energy: 0.39984539775980843
Energy: 0.4097000351697347
Energy: 0.3855939478144354
Energy: 0.4990759108562996
Energy: 0.38559394781352796
Energy: 0.47361066825860265
Energy: 0.4004015782059976
Energy: 0.414211679919538
Energy: 0.4004015782050901
Energy: 0.47148141427489604
Energy: 0.40417617709945064
Energy: 0.42097435399485833
Energy: 0.40417617709945064
Energy: 0.47950911824077164
Energy: 0.4067871404065531
Energy: 0.41213017658662576
Energy: 0.4067871404065531
Energy: 0.5116825724946548
Energy: 0.4071819658712178
Energy: 0.4168869823285385
Energy: 0.4071819658712178
Energy: 0.5108627814521143
Energy: 0.41933129401343516
Energy: 0.4186600580394897
Energy: 0.41933129401434266
Energy: 0.46884898219052645
Energy: 0.46263063199920235
Energy: 0.5096941735971174
Energy: 0.46263063200010984
Energy: 0.4568011550658357
Energy: 0.41795401610578287
Energy: 0.4539113586109247
Energy: 0.41795401610578287
Energy: 0.4656774486343778
Energy: 0.4190816982662495
Energy: 0.4539801556496251
Energy: 0.4190816982662495
Energy: 0.4558858048402462
Energy: 0.4156852711032361
Energy: 0.4167717745630219
Energy: 0.4156852710996063
Energy: 0.4806504674808105
Energy: 0.41294529524628554
Energy: 0.4573138794705678
Energy: 0.412945295247193

minimum gb energy = 0.38559394781352796 eV
minimum distance =  2.58510959654467 Angstroms
sigma value = 7


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

Energy: 0.7014783530507237
Energy: 0.41484986087626224
Energy: 0.4795267988945841
Energy: 0.41484986087818726
Energy: 0.4484156248783633
Energy: 0.4185106925818392
Energy: 0.5051510264669941
Energy: 0.4185106925805559
Energy: 0.40035693600953776
Energy: 0.4035755168145453
Energy: 0.45490381383394557
Energy: 0.4035755168190079
Energy: 0.4009229649280877
Energy: 0.40448137078920793
Energy: 0.5048716907780769
Energy: 0.4044813707847162
Energy: 0.40914868215150396
Energy: 0.4153447457876355
Energy: 0.494515169966828
Energy: 0.4153447457889189
Energy: 0.4032232919469095
Energy: 0.41371404307743187
Energy: 0.4936230003421784
Energy: 0.41371404307743187
Energy: 0.5117666782441924
Energy: 0.4049661842017424
Energy: 0.4025552097303019
Energy: 0.40496618419596736
Energy: 0.5058420525177519
Energy: 0.4127323922487568
Energy: 0.40661166039841434
Energy: 0.41273239225068187
Energy: 0.4522428621662103
Energy: 0.4171422751996823
Energy: 0.40194784191201083
Energy: 0.41714227519454883
Energy: 0.5038458579290142
Energy: 0.4041516477435281
Energy: 0.40228318722613243
Energy: 0.4041516477435281
Energy: 0.5047296749671832
Energy: 0.41747556773918976
Energy: 0.5046148146358377
Energy: 0.41747556773854805
Energy: 0.45603505352452567
Energy: 0.41644447712057403
Energy: 0.503001145528925
Energy: 0.41644447711864896
Energy: 0.4518517668251318
Energy: 0.4151353638703445
Energy: 0.4599855571767201
Energy: 0.4151353638671361
Energy: 0.45254547174027493
Energy: 0.4143117829752907
Energy: 0.4066504709166499
Energy: 0.4143117829733656
Energy: 0.46129186255004656
Energy: 0.41560099810355444
Energy: 0.4077045907666042
Energy: 0.4156009981080462
Energy: 0.5103927859665075
Energy: 0.42713377896653676
Energy: 0.4558377916295316
Energy: 0.42713377896717836
Energy: 0.5159871087176222
Energy: 0.4169262320861811
Energy: 0.50488914895922
Energy: 0.4169262320919563
Energy: 0.40219377778918236
Energy: 0.4041254486134678
Energy: 0.45596506843711165
Energy: 0.404125448608976
Energy: 0.40200725437730817
Energy: 0.4165070255082452
Energy: 0.5046703087127618
Energy: 0.416507025510141
Energy: 0.40664133447879336
Energy: 0.41258777098627475
Energy: 0.518468985605
Energy: 0.4125877709869164
Energy: 0.40281318552590595
Energy: 0.4034196985076267
Energy: 0.4974420341225271
Energy: 0.40341969850441833
Energy: 0.5082662735166248
Energy: 0.41386481608110304
Energy: 0.403540033835914
Energy: 0.41386481608046133
Energy: 0.5090253535692617
Energy: 0.4159289859872409
Energy: 0.40875772110856684
Energy: 0.415928985994941
Energy: 0.5042891174574231
Energy: 0.404253823694636
Energy: 0.40054436698603163
Energy: 0.404253823690786
Energy: 0.5018052427663974
Energy: 0.40372752607864476
Energy: 0.40035333187552014
Energy: 0.40372752607864476
Energy: 0.49376468185013134
Energy: 0.41841655906975184
Energy: 0.4078941949502459
Energy: 0.4184165590691102
Energy: 0.4791304604442169
Energy: 0.4592362978630783
Energy: 0.6020080747099078
Energy: 0.45923629786179493
Energy: 0.45335294896965234
Energy: 0.42235824948255063
Energy: 0.46132052390026934
Energy: 0.4223582494844757
Energy: 0.45603003314504853
Energy: 0.4162749515679447
Energy: 0.4527373787072937
Energy: 0.41627495156281125
Energy: 0.4578666523501086
Energy: 0.40529343016498476
Energy: 0.4067785650785438
Energy: 0.4052934301669098
Energy: 0.5110973237736153
Energy: 0.41822119071780595
Energy: 0.45960717206202817
Energy: 0.41822119072229763

minimum gb energy = 0.40035333187552014 eV
minimum distance =  2.58380510662807 Angstroms
sigma value = 29


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

Energy: 0.37874872883735095
Energy: 0.37045858736278287
Energy: 0.43233945865561035
Energy: 0.3704585873579649
Energy: 0.3799800301177073
Energy: 0.3728199400996664
Energy: 0.40508000690492846
Energy: 0.37281994009944286
Energy: 0.3918319376840277
Energy: 0.3695820766980255
Energy: 0.3846514222807106
Energy: 0.369582076697802
Energy: 0.38790889309926074
Energy: 0.36850049335419444
Energy: 0.39074443623789856
Energy: 0.36850049335419444
Energy: 0.3924566432435915
Energy: 0.38792826474764663
Energy: 0.3801413425753646
Energy: 0.38792826477561065
Energy: 0.40487122360692746
Energy: 0.3778638299297349
Energy: 0.3813107884871099
Energy: 0.3778638299323674
Energy: 0.3787131461429206
Energy: 0.3695244818925839
Energy: 0.39035353914791077
Energy: 0.36952448189303094
Energy: 0.405361263615806
Energy: 0.37340111238112444
Energy: 0.3863387266392212
Energy: 0.3734011123815715
Energy: 0.38009643106745883
Energy: 0.3728169632123025
Energy: 0.3848544917371128
Energy: 0.37281696321297303

minimum gb energy = 0.36850049335419444 eV
minimum distance =  2.66546602099548 Angstroms
sigma value = 5


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

Energy: 0.6137186201546325
Energy: 0.39117327521776357
Energy: 0.4600410556434449
Energy: 0.3911732752310986
Energy: 0.4320845386623235
Energy: 0.4297904327403873
Energy: 0.4731440503225598
Energy: 0.42979043274220574
Energy: 0.47178857609783487
Energy: 0.4231292681313626
Energy: 0.4729443953780163
Energy: 0.4231292681283319
Energy: 0.44624503687057476
Energy: 0.41286581160363006
Energy: 0.47723455999761755
Energy: 0.4128658116018116
Energy: 0.4371571286727701
Energy: 0.3997360073133211
Energy: 0.45072451165623634
Energy: 0.3997360072581899
Energy: 0.40541314539943657
Energy: 0.4061862407118221
Energy: 0.4503183364581225
Energy: 0.40618624071242826
Energy: 0.3981002928590276
Energy: 0.4112083537086845
Energy: 0.4766532321442162
Energy: 0.4112083537074723
Energy: 0.40543990345772973
Energy: 0.40515082057293517
Energy: 0.49581474229721056
Energy: 0.4051508205735137
Energy: 0.42070795567120767
Energy: 0.42053322347113575
Energy: 0.4954728895565447
Energy: 0.4205332234717419
Energy: 0.5273485354521847
Energy: 0.38511499826472956
Energy: 0.3918367645108352
Energy: 0.3851149982659419
Energy: 0.46701802498208894
Energy: 0.4057435186791643
Energy: 0.3866568197333263
Energy: 0.4057435186749213
Energy: 0.495761709501589
Energy: 0.3881623470425716
Energy: 0.38883728542673757
Energy: 0.38816234704378394
Energy: 0.5005183746783164
Energy: 0.3864200042337031
Energy: 0.445870172100859
Energy: 0.3864200042343093
Energy: 0.42524360106683906
Energy: 0.37694726343767204
Energy: 0.4998891559923342
Energy: 0.37694726344191504
Energy: 0.41643519234403065
Energy: 0.3790260970544372
Energy: 0.49895720361773754
Energy: 0.3790260970053675
Energy: 0.4153386437722996
Energy: 0.3773749315594046
Energy: 0.45448633787768467
Energy: 0.37737493156243535
Energy: 0.414143141597173
Energy: 0.38293588419586266
Energy: 0.4274121870862876
Energy: 0.38293588419525654
Energy: 0.485076364772956
Energy: 0.37780231718256285
Energy: 0.3889282271297481
Energy: 0.37780231718438134
Energy: 0.4976027464735108
Energy: 0.4212002331427018
Energy: 0.42325293913222906
Energy: 0.4212002331414895
Energy: 0.4827400772342657
Energy: 0.4289351341263324
Energy: 0.44912387149407285
Energy: 0.428935134124514
Energy: 0.44984534712456026
Energy: 0.40467252007549087
Energy: 0.431049500987542
Energy: 0.40467252008094606
Energy: 0.4508547568079169
Energy: 0.40480776637813065
Energy: 0.4101901290638124
Energy: 0.40480776638055516
Energy: 0.46661490215247603
Energy: 0.4159953934350261
Energy: 0.4028794224366429
Energy: 0.41599539343381386
Energy: 0.5023906577473248
Energy: 0.4210612620488205
Energy: 0.40746201514910024
Energy: 0.42106126204821437
Energy: 0.495736335254642
Energy: 0.4222516373125052
Energy: 0.4135594333345075
Energy: 0.4222516373131114
Energy: 0.3896600461118942
Energy: 0.381300722194084
Energy: 0.5280751034467023
Energy: 0.38130072220075156
Energy: 0.38600572848298953
Energy: 0.38170610275816874
Energy: 0.4124496113907552
Energy: 0.3817061027557441
Energy: 0.3861784261518239
Energy: 0.38142016205305573
Energy: 0.4178232480524626
Energy: 0.38142016205063123
Energy: 0.39253847447631973
Energy: 0.4166484583751364
Energy: 0.5053993569790334
Energy: 0.41664845837453035
Energy: 0.4982144775112134
Energy: 0.42260674683526683
Energy: 0.4558188763059643
Energy: 0.4226067468346608
Energy: 0.5010359841590347
Energy: 0.4091950085976632
Energy: 0.3995711128571612
Energy: 0.4091950085958448
Energy: 0.4400827470935425
Energy: 0.39870834354966916
Energy: 0.39913782223903077
Energy: 0.39870834354906315
Energy: 0.4171483623529976
Energy: 0.39897820630669656
Energy: 0.40348297986467146
Energy: 0.3989782063054843

minimum gb energy = 0.37694726343767204 eV
minimum distance =  2.56001647613648 Angstroms
sigma value = 1


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

Energy: 0.6076798943387557
Energy: 0.36295388728211603
Energy: 0.4431367474100265
Energy: 0.36295388726285904
Energy: 0.41011179317334295
Energy: 0.3765358726814824
Energy: 0.3875597471955303
Energy: 0.37653587268232047
Energy: 0.38760526641635534
Energy: 0.3864849021463214
Energy: 0.4007292611069377
Energy: 0.3864849021496738
Energy: 0.3939888684150618
Energy: 0.3931984771025504
Energy: 0.3902144002991647
Energy: 0.39319847710506467
Energy: 0.37619110567776143
Energy: 0.37578468877902654
Energy: 0.4663198000352929
Energy: 0.3757846887798646
Energy: 0.3873075490177159
Energy: 0.38358571741683345
Energy: 0.4660494595495506
Energy: 0.3835857174176715
Energy: 0.3738242178346134
Energy: 0.39376935203952035
Energy: 0.3902002542448836
Energy: 0.3937693520428727
Energy: 0.37620149162051725
Energy: 0.39308154103242027
Energy: 0.35761307045331897
Energy: 0.3930815410332584
Energy: 0.38935161753675107
Energy: 0.3922568926309737
Energy: 0.35455562056838796
Energy: 0.3922568926301355
Energy: 0.39935584295307947
Energy: 0.3925207848930485
Energy: 0.3865830726452186
Energy: 0.3925207848930485
Energy: 0.38926474912123826
Energy: 0.39334322923901194
Energy: 0.37485772565086317
Energy: 0.3933432292364976
Energy: 0.3526098889430307
Energy: 0.3769263144313762
Energy: 0.38522279202580406
Energy: 0.3769263144280238
Energy: 0.3561274225630045
Energy: 0.37511191757216616
Energy: 0.3850144109854217
Energy: 0.3751119175696519
Energy: 0.39095111231846275
Energy: 0.376048774974909
Energy: 0.4008865352458828
Energy: 0.3760487749757471
Energy: 0.39609764571274453
Energy: 0.3875867582719042
Energy: 0.38766839479994525
Energy: 0.3875867582752565
Energy: 0.39938368197445717
Energy: 0.3763634481269174
Energy: 0.3838891416126134
Energy: 0.3763634481260793
Energy: 0.38246759741097525
Energy: 0.376500054873706
Energy: 0.4678220671542461
Energy: 0.3765000548745441
Energy: 0.38017436010095834
Energy: 0.3757980616807982
Energy: 0.3871821933977662
Energy: 0.3757980616807982
Energy: 0.3749266669409162
Energy: 0.39482576243627343
Energy: 0.35437041900804217
Energy: 0.3948257624354353
Energy: 0.38420110632447796
Energy: 0.387049709836154
Energy: 0.3589455888925231
Energy: 0.3870497098378302
Energy: 0.4628361461483416
Energy: 0.3925431773555106
Energy: 0.3905466697617025
Energy: 0.3925431773538344
Energy: 0.463850589548161
Energy: 0.39233164471476467
Energy: 0.3779407334938561
Energy: 0.39233164471476467
Energy: 0.38396479636234554
Energy: 0.3754873466152319
Energy: 0.3744697048378018
Energy: 0.3754873466127176
Energy: 0.35210997500963287
Energy: 0.3754175206651062
Energy: 0.37633596059193536
Energy: 0.3754175206642681

minimum gb energy = 0.35210997500963287 eV
minimum distance =  2.57900526854628 Angstroms
sigma value = 17


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

Energy: 0.6602751449979457
Energy: 0.3677511925825733
Energy: 0.4534152820074188
Energy: 0.36775119258153727
Energy: 0.41444079679592466
Energy: 0.3824213750756369
Energy: 0.4458718721926203
Energy: 0.38242137507408286
Energy: 0.49100565902393783
Energy: 0.4184291983048098
Energy: 0.44795670366475543
Energy: 0.4184291983063638
Energy: 0.5023922132341346
Energy: 0.3677685714644832
Energy: 0.42097982797127176
Energy: 0.3677685714644832
Energy: 0.43785861993118785
Energy: 0.36772219119873534
Energy: 0.43445465075393036
Energy: 0.3677221911997713
Energy: 0.36714804816708435
Energy: 0.3679510184090923
Energy: 0.41820353525778997
Energy: 0.36795101841064626
Energy: 0.36746703660230684
Energy: 0.36746184565783224
Energy: 0.42102186715185624
Energy: 0.3674618456593863
Energy: 0.37251389700846427
Energy: 0.36802430180839735
Energy: 0.37230308409808677
Energy: 0.36802430180943335
Energy: 0.43204770426593236
Energy: 0.3684975239738865
Energy: 0.4785959027442482
Energy: 0.3684975239697425
Energy: 0.453203566039434
Energy: 0.41301871309754096
Energy: 0.4478981129290012
Energy: 0.41301871310064897
Energy: 0.3956709226585099
Energy: 0.42098496986483613
Energy: 0.3920996086480607
Energy: 0.42098496986690814
Energy: 0.4174911817374895
Energy: 0.3830688742007718
Energy: 0.4482562734308537
Energy: 0.38306887420180785
Energy: 0.41739073212866906
Energy: 0.3816092092408949
Energy: 0.381108403428734
Energy: 0.3816092092351969
Energy: 0.3951630634764704
Energy: 0.3816869291902543
Energy: 0.3812629722776282
Energy: 0.38168692918766434
Energy: 0.49550194110631485
Energy: 0.3999094631887697
Energy: 0.38533658146020716
Energy: 0.3999094631887697
Energy: 0.37380044786936223
Energy: 0.40495884363893014
Energy: 0.39407686430707994
Energy: 0.4049588436368581
Energy: 0.3983546648568892
Energy: 0.3819761438932965
Energy: 0.4356152380537274
Energy: 0.3819761438974405
Energy: 0.3824827770465607
Energy: 0.40263503615852225
Energy: 0.4248829018410519
Energy: 0.4026350361569682
Energy: 0.39562642859795233
Energy: 0.38164335375840197
Energy: 0.44871039035169025
Energy: 0.381643353754776
Energy: 0.3857918473667974
Energy: 0.38215346563221125
Energy: 0.37282445201272113
Energy: 0.3821534547993079
Energy: 0.44626704939136697
Energy: 0.3825922283946172
Energy: 0.39854981792425814
Energy: 0.3825922283894371
Energy: 0.44655264546011597
Energy: 0.41804909128796386
Energy: 0.4923486058243882
Energy: 0.4180490912864099
Energy: 0.42099169357543903
Energy: 0.36835593378196907
Energy: 0.4970928877051944
Energy: 0.3683559337814511
Energy: 0.4344447379264038
Energy: 0.36738341909740385
Energy: 0.4320226148350487
Energy: 0.3673834190958498
Energy: 0.42589872348639196
Energy: 0.3702203238540154
Energy: 0.371600084441905
Energy: 0.3702203238571234
Energy: 0.42229021611663947
Energy: 0.36818781802805756
Energy: 0.369578947739353
Energy: 0.3681878180275396
Energy: 0.3747391360685963
Energy: 0.3688481218950718
Energy: 0.3754559989085232
Energy: 0.3688481218961078
Energy: 0.4092121963555872
Energy: 0.40181221545381096
Energy: 0.43343647872865065
Energy: 0.40181221545225704
Energy: 0.4485346787390858
Energy: 0.42155475323353475
Energy: 0.44860634511323894
Energy: 0.4215547532330168
Energy: 0.39269525347444545
Energy: 0.38274370428419313
Energy: 0.39254069981963535
Energy: 0.38274370425315984
Energy: 0.43699987539534896
Energy: 0.38098769100196833
Energy: 0.4179076480759517
Energy: 0.38098769100455837
Energy: 0.38017705911850364
Energy: 0.38219009113329677
Energy: 0.4230054618243286
Energy: 0.38219009113329677
Energy: 0.38013690886098905
Energy: 0.3809704693549616
Energy: 0.39588489243466013
Energy: 0.38097046935651563
Energy: 0.38823986716689934
Energy: 0.40017181175744204
Energy: 0.4954073676596077
Energy: 0.40017181175697114
Energy: 0.39523720112221483
Energy: 0.41939362559060794
Energy: 0.3727257670213815
Energy: 0.4193936255900899
Energy: 0.4280987147208763
Energy: 0.3816246484464238
Energy: 0.39742634304765045
Energy: 0.3816246484484958
Energy: 0.39334862826148886
Energy: 0.4026517727210252
Energy: 0.3813233165972092
Energy: 0.40265177271843516
Energy: 0.47840518854086334
Energy: 0.3825420424834101
Energy: 0.3969463302801691
Energy: 0.3825420424797841

minimum gb energy = 0.36714804816708435 eV
minimum distance =  2.5697722657451 Angstroms
sigma value = 89


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

Energy: 0.8069757320252755
Energy: 0.361236858836195
Energy: 0.3843328977169256
Energy: 0.3612368588348396
Energy: 0.44247807192803024
Energy: 0.3835856023272389
Energy: 0.3963177250843822
Energy: 0.38358560232994965
Energy: 0.42421155339447636
Energy: 0.35530015647165103
Energy: 0.39487468714801116
Energy: 0.35530015647436175
Energy: 0.4314085943401008
Energy: 0.3552904170029783
Energy: 0.35208908825848445
Energy: 0.35529041700433367
Energy: 0.39546671345971507
Energy: 0.3444689217235242
Energy: 0.42155375450189553
Energy: 0.3444689217248796
Energy: 0.39921021028880393
Energy: 0.3439003751730999
Energy: 0.42181130482108503
Energy: 0.34390037517174454
Energy: 0.39687255078311856
Energy: 0.3465791030876006
Energy: 0.3458415203516904
Energy: 0.34657910309031137
Energy: 0.39567597504009105
Energy: 0.345990800029731
Energy: 0.3477474262544101
Energy: 0.345990800029731
Energy: 0.39583380767358667
Energy: 0.3866384813606329
Energy: 0.34772292219702733
Energy: 0.3866384813606329
Energy: 0.3960053111895213
Energy: 0.37977001953276485
Energy: 0.3456848137302078
Energy: 0.37977001953276485
Energy: 0.4070826537008461
Energy: 0.37772031801296063
Energy: 0.433037383143162
Energy: 0.3777203180116052
Energy: 0.4216245681200889
Energy: 0.37744970760405827
Energy: 0.34638160765070963
Energy: 0.3774497076027029
Energy: 0.42194770054675174
Energy: 0.4030383895134168
Energy: 0.38452364213221285
Energy: 0.4030383895134168
Energy: 0.40755240594780906
Energy: 0.38439256697692603
Energy: 0.3834859794522199
Energy: 0.38439256697692603
Energy: 0.4319358751794101
Energy: 0.3830660347911622
Energy: 0.3847738663730992
Energy: 0.3830660348074266

minimum gb energy = 0.34390037517174454 eV
minimum distance =  2.57162808336525 Angstroms
sigma value = 13


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

Energy: 0.6184801663302867
Energy: 0.341409574791239
Energy: 0.42613695748076535
Energy: 0.3414095747935114
Energy: 0.4482099235359093
Energy: 0.34505996061490746
Energy: 0.40717157783770885
Energy: 0.3450599606160178
Energy: 0.34943565926095277
Energy: 0.3976680772287296
Energy: 0.40804256053707155
Energy: 0.39766807722645725
Energy: 0.46751401145179616
Energy: 0.3454678487039746
Energy: 0.40833166915613506
Energy: 0.3454678487028385
Energy: 0.4109131152118096
Energy: 0.39901266566595767
Energy: 0.4096810007747181
Energy: 0.3990126656614388
Energy: 0.40932501088277884
Energy: 0.37868844287319514
Energy: 0.407862398486774
Energy: 0.37868844287035475
Energy: 0.4088536732446239
Energy: 0.344328292892759
Energy: 0.45600069551439215
Energy: 0.3443282928921909
Energy: 0.39494529638554077
Energy: 0.3446102416517079
Energy: 0.4025729510211346
Energy: 0.344610241652276
Energy: 0.34360457658743754
Energy: 0.345943203896706
Energy: 0.39412002888712183
Energy: 0.34594320389443367
Energy: 0.34576904100624994
Energy: 0.3445114238949959
Energy: 0.40071298294644725
Energy: 0.34451142389101935
Energy: 0.3433216509022237
Energy: 0.3476291047709092
Energy: 0.6176188179508108
Energy: 0.34762910476750064
Energy: 0.4075915986736065
Energy: 0.37712857819176454
Energy: 0.39635353972578813
Energy: 0.37712857819858153
Energy: 0.40968633656215336
Energy: 0.3981377258902212
Energy: 0.455041034154931
Energy: 0.39813772589249347
Energy: 0.4563519822906964
Energy: 0.36304384443735416
Energy: 0.46739850321035387
Energy: 0.36304384443167337
Energy: 0.39733817193403936
Energy: 0.3733985956708089
Energy: 0.3947341791669033
Energy: 0.3733985956708089
Energy: 0.3967268894773535
Energy: 0.34410319588812194
Energy: 0.3478532973189585
Energy: 0.34410319588869004
Energy: 0.45552034405447606
Energy: 0.3442146382410484
Energy: 0.34593598853716334
Energy: 0.344214638179153
Energy: 0.3604298136860771
Energy: 0.34537441996170853
Energy: 0.3494998295119607
Energy: 0.3453744199656851
Energy: 0.43461111471813
Energy: 0.3460814762312439
Energy: 0.40678550508001765
Energy: 0.34608147623067587
Energy: 0.3958999340918066
Energy: 0.39743548897447023
Energy: 0.40909660302275774
Energy: 0.3974354889676531
Energy: 0.4701587910897729
Energy: 0.3467640228998207
Energy: 0.40607082164664654
Energy: 0.3467640229026611
Energy: 0.39526005635725664
Energy: 0.39764721195771563
Energy: 0.39113184333583173
Energy: 0.3976472119588517
Energy: 0.4074247545416304
Energy: 0.3436548784884952
Energy: 0.41415559604660446
Energy: 0.3436548784816782
Energy: 0.3482278484996529
Energy: 0.34395711514774674
Energy: 0.39214575893414627
Energy: 0.34395711514888294
Energy: 0.39286093531224675
Energy: 0.344051784190773
Energy: 0.4197976968879078
Energy: 0.34405178419247723
Energy: 0.34367611013830335
Energy: 0.34478093405532656
Energy: 0.395627353581214
Energy: 0.3447809340570309
Energy: 0.3438726675785433
Energy: 0.34406651041173086
Energy: 0.4603415645388363
Energy: 0.3440665104088904
Energy: 0.3525579659277885
Energy: 0.34533708969355215
Energy: 0.3591405032294671
Energy: 0.34533708969298405
Energy: 0.44257740851201305
Energy: 0.37505163418243753
Energy: 0.4352391579537675
Energy: 0.3750516341801651
Energy: 0.4082498247722143
Energy: 0.3764148811231844
Energy: 0.4548345661486128
Energy: 0.3764148811231844
Energy: 0.4548813848110544
Energy: 0.3771297971113277
Energy: 0.47077888841092574
Energy: 0.3771297971153043
Energy: 0.40130125332837413
Energy: 0.3739853652524039
Energy: 0.4416581370867111
Energy: 0.37398536525410825
Energy: 0.398302139515525
Energy: 0.3446888323587772
Energy: 0.34941916104160414
Energy: 0.3446888323616176
Energy: 0.45792514633885734
Energy: 0.3442919784792038
Energy: 0.34379238293648706
Energy: 0.3442919784797719
Energy: 0.43468046217173917
Energy: 0.34427917628646676
Energy: 0.3469050571459028
Energy: 0.34427917628817106

minimum gb energy = 0.341409574791239 eV
minimum distance =  2.59457557130535 Angstroms
sigma value = 37


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

Energy: 0.5304111658364384
Energy: 0.31920847950444664
Energy: 0.31964413489255766
Energy: 0.31920847950444664
Energy: 0.31642223890496635
Energy: 0.3177870074795127
Energy: 0.40421475305937277
Energy: 0.3177870074795127
Energy: 0.47597857158076196
Energy: 0.318289132290156
Energy: 0.4093507333228474
Energy: 0.3182891322891786
Energy: 0.47598870720029135
Energy: 0.31779502864502657
Energy: 0.3252069070991813
Energy: 0.31779502864600395
Energy: 0.3254626499218231
Energy: 0.31778243056225636
Energy: 0.40069661027404163
Energy: 0.3177824323539541
Energy: 0.3159506937769049
Energy: 0.3183650075195629
Energy: 0.32210826585849794
Energy: 0.31836500752640456
Energy: 0.31895239363835454
Energy: 0.31817890770742646
Energy: 0.3250636419337333
Energy: 0.31817890770938123
Energy: 0.32532193567241763
Energy: 0.3185334628443434
Energy: 0.3962746992404998
Energy: 0.31853346284532075
Energy: 0.3174594000263031
Energy: 0.3181685898276807
Energy: 0.3958407202714773
Energy: 0.3181685898276807
Energy: 0.3224044437216569
Energy: 0.3183938978093077
Energy: 0.36671124620297907
Energy: 0.3183938978093077
Energy: 0.31964413490917293
Energy: 0.31920847950444664
Energy: 0.5304111658364384
Energy: 0.31920847950542397
Energy: 0.40421475305937277
Energy: 0.31778700747853533
Energy: 0.31642223919902157
Energy: 0.31778700747853533
Energy: 0.4093507333277342
Energy: 0.318289132290156
Energy: 0.47597857157978457
Energy: 0.3182891322891786
Energy: 0.32520690622385723
Energy: 0.31779502864502657
Energy: 0.47598870720224606
Energy: 0.3177950286440492
Energy: 0.4006966102759964
Energy: 0.3177824327906388
Energy: 0.3254626499091172
Energy: 0.31778243198857303
Energy: 0.3221082661476886
Energy: 0.31836500752738195
Energy: 0.3159506937759275
Energy: 0.31836500752640456
Energy: 0.3250636279146873
Energy: 0.3181789077064491
Energy: 0.31895239363835454
Energy: 0.3181789077064491
Energy: 0.3962747336061992
Energy: 0.31853346284532075
Energy: 0.32532193567925927
Energy: 0.31853346284532075
Energy: 0.39584072190492986
Energy: 0.3181685898276807
Energy: 0.3174594000253257
Energy: 0.3181685898276807
Energy: 0.32529488052956324
Energy: 0.31839389780833033
Energy: 0.32240444372263427
Energy: 0.3183938978093077

minimum gb energy = 0.3159506937759275 eV
minimum distance =  2.60585264314312 Angstroms
sigma value = 25


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

Energy: 0.6441875609433806
Energy: 0.300955730872606
Energy: 0.2999485502431088
Energy: 0.3009557308748956
Energy: 0.4353989944993061
Energy: 0.2947950818359379
Energy: 0.3643790082318646
Energy: 0.2947950818359379
Energy: 0.4300550192747264
Energy: 0.2944870450980031
Energy: 0.36421919605563013
Energy: 0.2944870450980031
Energy: 0.447607754088194
Energy: 0.29461086226341937
Energy: 0.45000095161355896
Energy: 0.29461086226341937
Energy: 0.4408891969552212
Energy: 0.3366288053307108
Energy: 0.4423102120453813
Energy: 0.3366288053314741
Energy: 0.4288762832968593
Energy: 0.32519394557369935
Energy: 0.44145631726647716
Energy: 0.32519394557675213
Energy: 0.4308625305674723
Energy: 0.333077374327929
Energy: 0.440869976490668
Energy: 0.3330773743286921
Energy: 0.3655171335922755
Energy: 0.29482673195522174
Energy: 0.4436627873952634
Energy: 0.2948267319559849
Energy: 0.36417473582230403
Energy: 0.29498920981339694
Energy: 0.441791858286538
Energy: 0.29498920981339694
Energy: 0.36518097578448716
Energy: 0.29462056394724234
Energy: 0.4417239787320605
Energy: 0.294620563945716
Energy: 0.2954198158216501
Energy: 0.2961009078978817
Energy: 0.5466147100312645
Energy: 0.2961009078955921
Energy: 0.29746022545342005
Energy: 0.29521291118455545
Energy: 0.4413482280662952
Energy: 0.29521291118455545
Energy: 0.2960478710646307
Energy: 0.29515113821841815
Energy: 0.43325128928048123
Energy: 0.29515113821841815
Energy: 0.38309767164092057
Energy: 0.297235940990805
Energy: 0.4321195836286387
Energy: 0.297235940990805
Energy: 0.3638525296551078
Energy: 0.294643545322366
Energy: 0.4414693871806069
Energy: 0.294643545322366
Energy: 0.36644425724349616
Energy: 0.29498949689108606
Energy: 0.4298463984827982
Energy: 0.29498949689108606
Energy: 0.44069631197142844
Energy: 0.2948858901435165
Energy: 0.4298583964293965
Energy: 0.29488589014275335
Energy: 0.3717774596650507
Energy: 0.32570104881406975
Energy: 0.4402056445076029
Energy: 0.3257010488133066
Energy: 0.4435656748859552
Energy: 0.32516714985733985
Energy: 0.43039757071114754
Energy: 0.3251671498581031
Energy: 0.4415851862719429
Energy: 0.2954916567852188
Energy: 0.4287219146172118
Energy: 0.295491656785982
Energy: 0.5473805291451719
Energy: 0.29522296707308604
Energy: 0.3648571229146629
Energy: 0.2952229670746124
Energy: 0.441118932757359
Energy: 0.29513101409905634
Energy: 0.29507800553126284
Energy: 0.29513101409905634
Energy: 0.4399010527864445
Energy: 0.2951528777762701
Energy: 0.36224642820810177
Energy: 0.2951528777762701
Energy: 0.4426653347821434
Energy: 0.2963357046097415
Energy: 0.2977301364749576
Energy: 0.29633570460901304
Energy: 0.4409540136664462
Energy: 0.29448650514395946
Energy: 0.29482623582057793
Energy: 0.29448650514395946
Energy: 0.4280311891826742
Energy: 0.2959225431152276
Energy: 0.2995494418204677
Energy: 0.29592254311675403

minimum gb energy = 0.29448650514395946 eV
minimum distance =  2.60375020060035 Angstroms
sigma value = 41


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

Energy: 0.7642690088927699
Energy: 0.2844966003237869
Energy: 0.3837293212687836
Energy: 0.28449660031377577
Energy: 0.4749845689705419
Energy: 0.2815128400184231
Energy: 0.3374645888018824
Energy: 0.2815128400190488
Energy: 0.42475663034417244
Energy: 0.2807092923973977
Energy: 0.33733199444563744
Energy: 0.280709292403029
Energy: 0.5173638618200821
Energy: 0.28015301852951796
Energy: 0.4044351556572694
Energy: 0.28015301853452357
Energy: 0.5025174373319952
Energy: 0.280923598088536
Energy: 0.4489122917634719
Energy: 0.2809235980897874
Energy: 0.5214027242566177
Energy: 0.32066462013639035
Energy: 0.4460623574160808
Energy: 0.3206646201370161
Energy: 0.5260771499364177
Energy: 0.3046890262789996
Energy: 0.4497606832618091
Energy: 0.3046890262771224
Energy: 0.4542541275658381
Energy: 0.2781554454138576
Energy: 0.47608838015108995
Energy: 0.2781554454169861
Energy: 0.4174570371038147
Energy: 0.2780117737648592
Energy: 0.503827375148068
Energy: 0.27801177365854757
Energy: 0.4168869810538182
Energy: 0.279383918855033
Energy: 0.4971700909357935
Energy: 0.27938391890008324
Energy: 0.33919384221241194
Energy: 0.2759403679471316
Energy: 0.674210660369429
Energy: 0.2759403679533886
Energy: 0.34117706636575945
Energy: 0.2786120845618883
Energy: 0.49618599939614944
Energy: 0.27861208456564246
Energy: 0.33374752407231345
Energy: 0.2762607349713865
Energy: 0.4721823896418984
Energy: 0.27626073497076076
Energy: 0.30486406359331436
Energy: 0.27806693522787546
Energy: 0.4288730289257949
Energy: 0.27806693522787546
Energy: 0.30908639341946886
Energy: 0.2782700874720157
Energy: 0.5031583360572097
Energy: 0.2782700874738928
Energy: 0.30888961078597904
Energy: 0.27687606691100075
Energy: 0.389109903684935
Energy: 0.27687606691475497
Energy: 0.36805527283388384
Energy: 0.2792896189692528
Energy: 0.49543157037794194
Energy: 0.2792896189654986
Energy: 0.36766271111063875
Energy: 0.27621253187145917
Energy: 0.49952720897746994
Energy: 0.27621253191898376
Energy: 0.3633298049879024
Energy: 0.2771792375448414
Energy: 0.5248913317983395
Energy: 0.2771792375454671
Energy: 0.446687650389696
Energy: 0.2772560665504687
Energy: 0.5231261494941034
Energy: 0.27725606655109436
Energy: 0.4807870744651138
Energy: 0.3032485246024539
Energy: 0.4975413772650464
Energy: 0.3032485246037054
Energy: 0.4444900613229888
Energy: 0.2767664139681328
Energy: 0.5195432154806375
Energy: 0.27676641396375284
Energy: 0.504913564201384
Energy: 0.30230897709087107
Energy: 0.5196201399071515
Energy: 0.3023089770896197
Energy: 0.476659460277391
Energy: 0.28010153123601705
Energy: 0.4461530194560936
Energy: 0.2801015312322629
Energy: 0.5026618471373777
Energy: 0.3021524478555357
Energy: 0.4356671930657143
Energy: 0.3021524478555357
Energy: 0.476335000199525
Energy: 0.2807778711521592
Energy: 0.4453752514334046
Energy: 0.2807778711540363
Energy: 0.374025655423076
Energy: 0.28116831449694746
Energy: 0.3406206961132201
Energy: 0.2811683144988245
Energy: 0.5026849175516497
Energy: 0.2802790774869987
Energy: 0.34094413829331494
Energy: 0.28027907748512165
Energy: 0.427567131876369
Energy: 0.2807027247751654
Energy: 0.34196047111748507
Energy: 0.28070272477704244
Energy: 0.43221230336906286
Energy: 0.2804760217264132
Energy: 0.28338413355735415
Energy: 0.28047602172578756
Energy: 0.5027934800443284
Energy: 0.279701046326316
Energy: 0.2796049315581492
Energy: 0.27970104632694165
Energy: 0.47329762686295074
Energy: 0.2814165788808573
Energy: 0.2791695151656755
Energy: 0.2814165788808573

minimum gb energy = 0.2759403679471316 eV
minimum distance =  2.59597179020456 Angstroms
sigma value = 15


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

Energy: 0.619669679057319
Energy: 0.2699540687249907
Energy: 0.3694165452206783
Energy: 0.2699540687255208
Energy: 0.5369790333765859
Energy: 0.2627079249760028
Energy: 0.30937914786018156
Energy: 0.26270792497441264
Energy: 0.4608420752272004
Energy: 0.2621697335671088
Energy: 0.31021856069277637
Energy: 0.2621697335676389
Energy: 0.547975113112579
Energy: 0.2634879458326596
Energy: 0.41344288685229225
Energy: 0.2634879458310694
Energy: 0.5369732620005107
Energy: 0.2620230281442378
Energy: 0.4072056751576273
Energy: 0.2620230281447678
Energy: 0.5418463673688886
Energy: 0.2622543063158375
Energy: 0.4062679804676299
Energy: 0.26225430631848773
Energy: 0.4569546527552955
Energy: 0.26248125005152384
Energy: 0.4951906051034562
Energy: 0.262481250053114
Energy: 0.49855831338153755
Energy: 0.2825390379046971
Energy: 0.420538245817655
Energy: 0.2825390379099976
Energy: 0.456184687235219
Energy: 0.28170181341630646
Energy: 0.4963239083943778
Energy: 0.28170181341630646
Energy: 0.455499888590957
Energy: 0.30514297737931845
Energy: 0.49561284214634427
Energy: 0.3051429773798485
Energy: 0.41444130207549956
Energy: 0.2634241129968032
Energy: 0.551479536813567
Energy: 0.2634241129978633
Energy: 0.3633262827225311
Energy: 0.26235070031812213
Energy: 0.5390918585415007
Energy: 0.2623507003091112
Energy: 0.4069841383725228
Energy: 0.2623247839388123
Energy: 0.4953703533193027
Energy: 0.2623247839351019
Energy: 0.3141051100391443
Energy: 0.2646122039351846
Energy: 0.5051365757612843
Energy: 0.2646122039346545
Energy: 0.31242158675725823
Energy: 0.26189733065022147
Energy: 0.5358685399462719
Energy: 0.2618973306475712
Energy: 0.3131335572995671
Energy: 0.2624104634035769
Energy: 0.49729633475875423
Energy: 0.2624104634067572
Energy: 0.2645102968984145
Energy: 0.262005728626552
Energy: 0.4975281816154482
Energy: 0.26200572862920224
Energy: 0.2601388676624839
Energy: 0.2604668921437295
Energy: 0.5369540479842285
Energy: 0.2604668921416093
Energy: 0.26328537357987564
Energy: 0.2621975661483662
Energy: 0.5456893231883629
Energy: 0.26219756613617495
Energy: 0.31387735373340564
Energy: 0.26205961485455426
Energy: 0.45867154921517833
Energy: 0.2620596148556144
Energy: 0.3107779306161138
Energy: 0.26189475044981947
Energy: 0.537260635295938
Energy: 0.2618947504492894
Energy: 0.3137277886533299
Energy: 0.26289055488309043
Energy: 0.5494142703673937
Energy: 0.26289055488309043
Energy: 0.4068444261823058
Energy: 0.2625860940300996
Energy: 0.5403689604988803
Energy: 0.2625860940290395
Energy: 0.415614678114738
Energy: 0.2622013447525016
Energy: 0.5379720006480762
Energy: 0.2622013447583322
Energy: 0.4132150299123715
Energy: 0.2627711025788038
Energy: 0.4829272598540195
Energy: 0.26277110257668357
Energy: 0.49900358000870493
Energy: 0.30501348280374124
Energy: 0.46247406084062054
Energy: 0.3050134828032112
Energy: 0.4067524161147915
Energy: 0.28144035929920874
Energy: 0.49694998197779977
Energy: 0.2814403592976186
Energy: 0.49797580051667073
Energy: 0.28224221628219653
Energy: 0.4661569636356166
Energy: 0.28224221628166646
Energy: 0.5013828126455253
Energy: 0.3038374910752817
Energy: 0.4964340172331913
Energy: 0.30383749107422153
Energy: 0.4990061768947105
Energy: 0.2626511475867264
Energy: 0.4063416781885049
Energy: 0.26265114758619634
Energy: 0.5352651803831757
Energy: 0.2615995197654296
Energy: 0.36308653836859067
Energy: 0.26159951976595963
Energy: 0.5035173915946883
Energy: 0.2607719975586898
Energy: 0.4141640651184705
Energy: 0.2607719975570996
Energy: 0.49854318541234593
Energy: 0.26226765852360984
Energy: 0.31126303837309105
Energy: 0.2622676585246218
Energy: 0.5387020731357414
Energy: 0.2615305932853985
Energy: 0.3105612062084412
Energy: 0.26153059328380834
Energy: 0.49732051952841816
Energy: 0.26413050009332634
Energy: 0.2680331032800506
Energy: 0.26413050009438643
Energy: 0.4974133541785398
Energy: 0.2618633317590074
Energy: 0.2638177771471593
Energy: 0.2618633317563571
Energy: 0.46081710823873545
Energy: 0.26201064173569577
Energy: 0.2618004944081262
Energy: 0.26201064173410554

minimum gb energy = 0.2601388676624839 eV
minimum distance =  2.60431655289711 Angstroms
sigma value = 85


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

Energy: 0.6601313273851784
Energy: 0.2420373820483008
Energy: 0.23617028372306328
Energy: 0.24203738107368117
Energy: 0.5558279852718501
Energy: 0.23542572231171544
Energy: 0.27893298128652017
Energy: 0.23542572231263487
Energy: 0.4838437373977553
Energy: 0.2358680950500981
Energy: 0.2793217792226449
Energy: 0.2358680950500981
Energy: 0.4840719434380964
Energy: 0.23711677967675032
Energy: 0.3650438225914068
Energy: 0.2371167796762906
Energy: 0.4919105185783883
Energy: 0.23626886056906662
Energy: 0.3652485888891986
Energy: 0.23626886056998606
Energy: 0.4852322622524171
Energy: 0.2361103693634847
Energy: 0.3651465442308225
Energy: 0.23611036936394442
Energy: 0.4850182827531848
Energy: 0.23607944989652568
Energy: 0.4486100363071036
Energy: 0.23607944989468682
Energy: 0.5196454824023106
Energy: 0.23653641892529717
Energy: 0.37412887261723815
Energy: 0.23653641892437774
Energy: 0.4854542954133225
Energy: 0.2359985735191095
Energy: 0.44732752109567536
Energy: 0.23599857352002893
Energy: 0.4860635346165225
Energy: 0.3085734062529557
Energy: 0.520766118921756
Energy: 0.3085734062534154
Energy: 0.44751062322110596
Energy: 0.23611708736729237
Energy: 0.4839326261023656
Energy: 0.23611708736637294
Energy: 0.4146362712591228
Energy: 0.23711302120035752
Energy: 0.5210296000089909
Energy: 0.23711302120219638
Energy: 0.4468418697414495
Energy: 0.23684444279994635
Energy: 0.5213780718671177
Energy: 0.2368444427990269
Energy: 0.3649758820209068
Energy: 0.23614386172196294
Energy: 0.4466409037794003
Energy: 0.23614386172150326
Energy: 0.32325814788129326
Energy: 0.23665323172198013
Energy: 0.4927410239067135
Energy: 0.2366532317242787
Energy: 0.3674992795219825
Energy: 0.23603478628402808
Energy: 0.5224742234291909
Energy: 0.2360347862849266
Energy: 0.2788685035895345
Energy: 0.23623741707982504
Energy: 0.5203426994419776
Energy: 0.23623741707982504
Energy: 0.27923973154982396
Energy: 0.23563688645088277
Energy: 0.5560480395252474
Energy: 0.23563688645088277
Energy: 0.27829077298940746
Energy: 0.23770153080609827
Energy: 0.4900005588796527
Energy: 0.23770153080563858
Energy: 0.23606723858102066
Energy: 0.23740498820187647
Energy: 0.490253930050655
Energy: 0.23740498820141678
Energy: 0.23617646209496043
Energy: 0.23587313080426262
Energy: 0.555822148290019
Energy: 0.2358731308047223
Energy: 0.23664873732015204
Energy: 0.23772334125684794
Energy: 0.5561507615080087
Energy: 0.23772334125776737
Energy: 0.2795036425355885
Energy: 0.2362267842671135
Energy: 0.4839079858941534
Energy: 0.23622678426665378
Energy: 0.28056190459079494
Energy: 0.23586477131323644
Energy: 0.49409501779027026
Energy: 0.23586477131323644
Energy: 0.2789033281402646
Energy: 0.2364170310351161
Energy: 0.4841654900077694
Energy: 0.236417031036955
Energy: 0.36426541665781054
Energy: 0.23599919846407866
Energy: 0.484439533265419
Energy: 0.23599919846453835
Energy: 0.3651767746586737
Energy: 0.23616013190759003
Energy: 0.5566773990957777
Energy: 0.2361601319071303
Energy: 0.42259881991940246
Energy: 0.23600298228440578
Energy: 0.48458207096888145
Energy: 0.23600298228348632
Energy: 0.44797728965871386
Energy: 0.2360546606045894
Energy: 0.4917786267796495
Energy: 0.23605466060412966
Energy: 0.44788198769973336
Energy: 0.2358202100727022
Energy: 0.485152404799793
Energy: 0.23582021007180368
Energy: 0.4921873109482975
Energy: 0.2822619810487357
Energy: 0.41405087349768543
Energy: 0.282261981048276
Energy: 0.4470741068293548
Energy: 0.28508784445664226
Energy: 0.4915556723094389
Energy: 0.28508784445756163
Energy: 0.5225011020420622
Energy: 0.23581600887923626
Energy: 0.40827049819014843
Energy: 0.23581600888381254
Energy: 0.491905575255113
Energy: 0.23589487002463355
Energy: 0.4122438784485616
Energy: 0.2358948700250933
Energy: 0.48242649025662543
Energy: 0.23607915843155433
Energy: 0.36492459232037844
Energy: 0.23607915843523208
Energy: 0.4930080575853776
Energy: 0.23588171003131903
Energy: 0.3650394944608653
Energy: 0.23588171002352473
Energy: 0.4906835619453524
Energy: 0.23598294862336724
Energy: 0.36429498819559014
Energy: 0.23598294862336724
Energy: 0.520607939906142
Energy: 0.2366771690345015
Energy: 0.2788856891718663
Energy: 0.2366771690340418
Energy: 0.492388354719643
Energy: 0.23543689417274846
Energy: 0.27996034043099344
Energy: 0.23543689417274846
Energy: 0.48989680786793033
Energy: 0.23623792188071793
Energy: 0.2794932168609231
Energy: 0.23623792188071793
Energy: 0.5199131376206156
Energy: 0.2374061581780415
Energy: 0.23667915775952458
Energy: 0.2374061581785012
Energy: 0.5559692599055981
Energy: 0.23593970680527115
Energy: 0.23603447693115795
Energy: 0.23593970680527115
Energy: 0.4839766623928887
Energy: 0.23830031146386668
Energy: 0.23664824548714786
Energy: 0.23830031146294725

minimum gb energy = 0.23542572231171544 eV
minimum distance =  2.61870286246737 Angstroms
sigma value = 113


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

Energy: 0.011712321395698621
Energy: 0.012539766953025088
Energy: 0.4671583086488746
Energy: 0.012539766951297325
Energy: 0.012398052949803997
Energy: 0.06054288800918467
Energy: 0.34405504577856144
Energy: 0.06054288800918467
Energy: 0.01223536935064005
Energy: 0.06024564027969685
Energy: 0.3429066381674869
Energy: 0.06024564027934344
Energy: 0.012944784559638964
Energy: 0.06002523999827655
Energy: 0.34325660513615885
Energy: 0.06002523999792314
Energy: 0.3442046917438316
Energy: 0.06065072055002248
Energy: 0.3438396640731324
Energy: 0.06065072055002248
Energy: 0.012133360371812429
Energy: 0.060045295928678126
Energy: 0.3426146610614537
Energy: 0.06004529592832472

minimum gb energy = 0.011712321395698621 eV
minimum distance =  2.82474204987649 Angstroms
sigma value = 1