Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.491938583552837
cohesive_energy=4.443733403167747
mass=58.6934
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=[2.04780604298076e-19, 2.8939475669288398e-19, 3.54069820877562e-19, 4.0779560994548396e-19, 4.51603925648946e-19, 4.8880806926706e-19, 5.208147518844779e-19, 5.48548429419018e-19, 5.72675607350424e-19, 5.937025734950399e-19, 6.12045893777706e-19, 6.28107714533556e-19, 6.425401216526279e-19, 6.56280388465812e-19, 6.690769732415699e-19, 6.796785760287479e-19, 6.88136466479634e-19, 6.949537280573039e-19, 7.00433172145584e-19, 7.047334142312399e-19, 7.079601979721159e-19, 7.10190427846644e-19, 7.11488190920184e-19, 7.11907961198292e-19, 7.114577495641379e-19, 7.10007779710368e-19, 7.0740103832685e-19, 7.034388555109681e-19, 6.9793217441991e-19, 6.90723981743544e-19, 6.817261577669999e-19, 6.70594234513968e-19, 6.563428733545379e-19, 6.381036945530819e-19, 6.153143341110659e-19, 5.87258619073092e-19, 5.5293518904291e-19, 5.1107031359649e-19, 4.60140322754898e-19, 3.98946788395902e-19, 3.2637940211214e-19, 2.35971779008788e-19, 1.226253123834678e-19, -1.83449224593e-20, -1.9391143801301998e-19, -4.1405210970125396e-19, -6.954343810475039e-19, -1.050952569602202e-18, -1.5102437387410799e-18, -2.12378125896504e-18, -2.94033058048314e-18, -4.02881734209006e-18, -5.46452782381746e-18, -7.10113523368212e-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: -8.48587922344666e-25 eV

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

Energy: 0.01836675651485641
Energy: 0.018699850901481904
Energy: 1.0134454600708414
Energy: 0.17556451013278407
Energy: 0.018699850901481904
Energy: 1.2905651926394286
Energy: 0.17556451013214922
Energy: 1.2905651926401007
Energy: 1.0134454600872358
Energy: 0.17556451013214922
Energy: 0.01836675651485641
Energy: 0.018699850901481904
Energy: 0.17556451013214922
Energy: 1.2905651926394286
Energy: 0.018699850901481904
Energy: 1.2905651926394286

minimum gb energy = 0.01836675651485641 eV
minimum distance =  2.43153723616265 Angstroms
sigma value = 1


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

Energy: 2.0329602935346167
Energy: 1.319773912245561
Energy: 1.4029946561242088
Energy: 1.40152112464222
Energy: 1.3902179472884741
Energy: 1.4583529391698684
Energy: 1.3540748093220485
Energy: 1.4583529391698684
Energy: 1.4032675187462154
Energy: 1.4013430959831241
Energy: 1.3526143281204086
Energy: 1.4013430959831241
Energy: 1.356407474941604
Energy: 1.3531752765187757
Energy: 1.3538075379135621
Energy: 1.3531752765187757
Energy: 1.434300946554973
Energy: 1.3536036665560724
Energy: 1.357060581045117
Energy: 1.3536036665568876
Energy: 1.356233195374663
Energy: 1.3536394231023006
Energy: 1.3536796205295996
Energy: 1.3536394231023006
Energy: 1.4364234726536345
Energy: 1.4963745709496223
Energy: 1.434773161932334
Energy: 1.4963745709496223
Energy: 1.4364483327951434
Energy: 1.4356004555659263
Energy: 1.4025196049781765
Energy: 1.4356004555659263
Energy: 1.4667308286443237
Energy: 1.5886904187559023
Energy: 1.468642808624991
Energy: 1.5886904187559023
Energy: 1.4842335832860587
Energy: 1.5509974286174775
Energy: 1.4689737807533572
Energy: 1.5509974286174775
Energy: 1.463774559436893
Energy: 1.587679117382756
Energy: 1.4679451058452264
Energy: 1.587679117382756
Energy: 1.4361866726941577
Energy: 1.5868517455675644
Energy: 1.4079498658157628
Energy: 1.586851745566749
Energy: 1.4394912305737417
Energy: 1.4964153232755568
Energy: 1.3904276335053687
Energy: 1.4964153232755568
Energy: 1.3579948076075155
Energy: 1.5003129396598025
Energy: 1.43916680418042
Energy: 1.5003129396598025
Energy: 1.3899791546535212
Energy: 1.3523386467957703
Energy: 1.3527667841009068
Energy: 1.3523386467957703
Energy: 1.3143597767902777
Energy: 1.3538355724030346
Energy: 1.3534659389739776
Energy: 1.3538355724030346
Energy: 1.402955079893053
Energy: 1.4016297172352106
Energy: 1.3134320720694903
Energy: 1.4016297172352106
Energy: 1.3544742563313164
Energy: 1.3571390146581024
Energy: 1.3905545827117585
Energy: 1.3571390146581024
Energy: 1.3550315296989166
Energy: 1.401499308138563
Energy: 1.4050290435437047
Energy: 1.401499308139378
Energy: 1.3561928900072135
Energy: 1.3546240053504162
Energy: 1.3563240069262812
Energy: 1.3546240053512315
Energy: 1.352986601586809
Energy: 1.3568246413175045
Energy: 1.4337893428919664
Energy: 1.3568246413175045
Energy: 1.3541842396815438
Energy: 1.3537529038323346
Energy: 1.3567253074659453
Energy: 1.3537529038315195
Energy: 1.4344372401161751
Energy: 1.4988389814061724
Energy: 1.4355686197165145
Energy: 1.498838981405357
Energy: 1.40321755915615
Energy: 1.4986761033463796
Energy: 1.438562180132837
Energy: 1.4986761033463796
Energy: 1.4686387443731017
Energy: 1.5887377463214483
Energy: 1.4661799467796006
Energy: 1.5887377463214483
Energy: 1.4716407216663727
Energy: 1.5849060345335426
Energy: 1.4868695170197441
Energy: 1.5849060345335426
Energy: 1.4682123439065597
Energy: 1.5871413779488586
Energy: 1.4637175370735318
Energy: 1.5871413779488586
Energy: 1.4893043838456952
Energy: 1.5872520122629195
Energy: 1.4749543498425068
Energy: 1.5872520122629195
Energy: 1.3916371163345418
Energy: 1.495394828473235
Energy: 1.4695320425336955
Energy: 1.495394828473235
Energy: 1.4392379645197113
Energy: 1.497381642393589
Energy: 1.3573669868631615
Energy: 1.497381642393589
Energy: 1.3516683278141066
Energy: 1.351939193824891
Energy: 1.3911813578302095
Energy: 1.351939193824891
Energy: 1.353321470651813
Energy: 1.3551510694733406
Energy: 1.3140372083534262
Energy: 1.3551510694733406
Energy: 1.3133566872084914
Energy: 1.4017551199604348
Energy: 1.4048074674392415
Energy: 1.4017551199604348

minimum gb energy = 1.3133566872084914 eV
minimum distance =  2.23800440591649 Angstroms
sigma value = 1


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

Energy: 2.281178542200386
Energy: 1.3870090735421547
Energy: 1.4814806405450118
Energy: 1.479625676783035
Energy: 1.4757150607748875
Energy: 1.536241796462481
Energy: 1.4299607943886634
Energy: 1.5362417964615516
Energy: 1.4804028248539163
Energy: 1.4798143661311196
Energy: 1.428174953403351
Energy: 1.4798143661329786
Energy: 1.433295913909027
Energy: 1.4285423776878274
Energy: 1.429890513057662
Energy: 1.4285423776878274
Energy: 1.4285720791400074
Energy: 1.4293789824452177
Energy: 1.4284212387118969
Energy: 1.4293789824461474
Energy: 1.4342814118309302
Energy: 1.4300018779063537
Energy: 1.42857444923035
Energy: 1.4300018779063537
Energy: 1.5289277705321378
Energy: 1.596028946033538
Energy: 1.5243784296988567
Energy: 1.596028946033538
Energy: 1.527196871373031
Energy: 1.5974591117660861
Energy: 1.4843194827011015
Energy: 1.5974591117660861
Energy: 1.5286187585732998
Energy: 1.6829968048138024
Energy: 1.55121005062625
Energy: 1.6829968048138024
Energy: 1.487637717042956
Energy: 1.6575801865870154
Energy: 1.5287678742464148
Energy: 1.6575801865870154
Energy: 1.4767307185230802
Energy: 1.594485693780966
Energy: 1.5271723162459543
Energy: 1.5944856937818954
Energy: 1.5288707314682795
Energy: 1.5960491085829174
Energy: 1.4354536569733507
Energy: 1.5960491085829174
Energy: 1.42899991863504
Energy: 1.4290353422119042
Energy: 1.4759772026721383
Energy: 1.4290353422109745
Energy: 1.4293026189246762
Energy: 1.4291691669832054
Energy: 1.3798409955081186
Energy: 1.4291691669841349
Energy: 1.3792742681790044
Energy: 1.4794069207631255
Energy: 1.4808727023017536
Energy: 1.479406920764055
Energy: 1.4760504277420834
Energy: 1.434099174897887
Energy: 1.430293119042116
Energy: 1.434099174897887
Energy: 1.479339348557066
Energy: 1.480062463256879
Energy: 1.4284245350928508
Energy: 1.480062463256879
Energy: 1.4341636696506834
Energy: 1.430676942182574
Energy: 1.434492979306826
Energy: 1.430676942182574
Energy: 1.4283475030598243
Energy: 1.4338178897247111
Energy: 1.4295569519086804
Energy: 1.4338178897247111
Energy: 1.4347261716198245
Energy: 1.4293640433392178
Energy: 1.43100810506536
Energy: 1.4293640433392178
Energy: 1.5253171706439401
Energy: 1.5983446145309057
Energy: 1.5243375887314865
Energy: 1.5983446145309057
Energy: 1.5251922212893865
Energy: 1.5973743706032348
Energy: 1.4843754287268738
Energy: 1.5973743706032348
Energy: 1.5270514228974996
Energy: 1.6836025531492627
Energy: 1.551550409653392
Energy: 1.6836025531492627
Energy: 1.4845509084856436
Energy: 1.683724849796703
Energy: 1.5659198072642324
Energy: 1.683724849796703
Energy: 1.4767743882196034
Energy: 1.593830251470367
Energy: 1.5758099298273507
Energy: 1.593830251470367
Energy: 1.5291824755110994
Energy: 1.5941478816437444
Energy: 1.436087802107574
Energy: 1.5941478816437444
Energy: 1.4280420645272456
Energy: 1.428626640494425
Energy: 1.4756277124057353
Energy: 1.428626640494425
Energy: 1.4287001155864198
Energy: 1.4292114311379094
Energy: 1.3801656718378532
Energy: 1.4292114311379094
Energy: 1.379215953149069
Energy: 1.4800862329885398
Energy: 1.481541886697512
Energy: 1.48008623298761

minimum gb energy = 1.379215953149069 eV
minimum distance =  2.23732858257034 Angstroms
sigma value = 25


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

Energy: 2.194081742945167
Energy: 1.4615534756286495
Energy: 1.567212377359956
Energy: 1.567661702267753
Energy: 1.5773642200225593
Energy: 1.6211434507034623
Energy: 1.515914033675708
Energy: 1.6211434507034623
Energy: 1.5666949374358579
Energy: 1.567867263458293
Energy: 1.5142089792996896
Energy: 1.567867263458293
Energy: 1.5219901228422463
Energy: 1.6212176170971269
Energy: 1.5158500196228846
Energy: 1.6212176170971269
Energy: 1.5154422392860074
Energy: 1.5168322304472608
Energy: 1.5162042569546252
Energy: 1.5168322304472608
Energy: 1.521265481430929
Energy: 1.5184520990574795
Energy: 1.5164949661755762
Energy: 1.5184520990574795
Energy: 1.610038306952253
Energy: 1.7146315906653051
Energy: 1.6064851498356507
Energy: 1.7146315906653051
Energy: 1.6079376200037039
Energy: 1.715617972037018
Energy: 1.4774068889497083
Energy: 1.715617972037018
Energy: 1.6101918902914516
Energy: 1.7127134628993936
Energy: 1.5806671675552317
Energy: 1.7127134628993936
Energy: 1.5213319680399586
Energy: 1.7129010382320682
Energy: 1.516133259300102
Energy: 1.7129010382320682
Energy: 1.4502150940306437
Energy: 1.5166399307575469
Energy: 1.515239514370105
Energy: 1.5166399307575469
Energy: 1.4506510107732706
Energy: 1.5164355984974505
Energy: 1.5162108231429072
Energy: 1.5164355984963698
Energy: 1.5664339809540937
Energy: 1.5674647053822914
Energy: 1.4505773377911548
Energy: 1.5674647053822914
Energy: 1.5160475818692967
Energy: 1.522639048318358
Energy: 1.5771636687825177
Energy: 1.522639048318358
Energy: 1.515057076508034
Energy: 1.568866241479231
Energy: 1.5680455880796147
Energy: 1.568866241479231
Energy: 1.5668930543493305
Energy: 1.5241250566553286
Energy: 1.5223572171626274
Energy: 1.5241250566553286
Energy: 1.5192484342738877
Energy: 1.5221839833092812
Energy: 1.5148732013951762
Energy: 1.5221839833092812
Energy: 1.516770259566925
Energy: 1.517175361616861
Energy: 1.5211690862140999
Energy: 1.517175361616861
Energy: 1.606334845494445
Energy: 1.7169948388733867
Energy: 1.6491765567441818
Energy: 1.7169948388733867
Energy: 1.4785457920150193
Energy: 1.7161514359684842
Energy: 1.6113356364047313
Energy: 1.7161514359684842
Energy: 1.5786055819246092
Energy: 1.7124418331700133
Energy: 1.6106510051448752
Energy: 1.7124418331700133
Energy: 1.579518932209282
Energy: 1.7125833905747583
Energy: 1.5233891323498336
Energy: 1.7125833905758385
Energy: 1.5161071112429363
Energy: 1.5169640049072837
Energy: 1.4500881574137356
Energy: 1.5169640049072837
Energy: 1.515699267260494
Energy: 1.5162182403005784
Energy: 1.450814570256925
Energy: 1.5162182403016589
Energy: 1.4501213888806352
Energy: 1.568117230106692
Energy: 1.5673029741362183
Energy: 1.568117230106692

minimum gb energy = 1.4500881574137356 eV
minimum distance =  2.23683611141143 Angstroms
sigma value = 9


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

Energy: 2.0594834958588657
Energy: 1.5404180272468158
Energy: 1.6661869885085485
Energy: 1.6664121551284665
Energy: 1.6935043423178644
Energy: 1.7092024018435206
Energy: 1.6260278579108036
Energy: 1.7092024018435206
Energy: 1.6656760457389035
Energy: 1.6671768900639432
Energy: 1.6616862198203046
Energy: 1.6671768900639432
Energy: 1.6111493420438223
Energy: 1.7103997816446583
Energy: 1.6256087766800524
Energy: 1.7103997816446583
Energy: 1.613750044825725
Energy: 1.6178958887073642
Energy: 1.6190672521233693
Energy: 1.6178958887086532
Energy: 1.6285319922741606
Energy: 1.6225032514359061
Energy: 1.6269850028367758
Energy: 1.6225032514371953
Energy: 1.701258365660393
Energy: 1.8267353956114392
Energy: 1.6200013155546875
Energy: 1.8267353956114392
Energy: 1.6274469109976644
Energy: 1.8277752215486143
Energy: 1.6269552238403004
Energy: 1.8277752215486143
Energy: 1.6151254250755822
Energy: 1.61839306481364
Energy: 1.5225942400528576
Energy: 1.61839306481364
Energy: 1.6271964352269825
Energy: 1.6189146302630106
Energy: 1.5222513860306046
Energy: 1.6189146302642994
Energy: 1.5223363466486788
Energy: 1.6655053406206566
Energy: 1.6649344013802279
Energy: 1.6655053406206566
Energy: 1.6934670793646176
Energy: 1.6135515013136608
Energy: 1.6291882666438138
Energy: 1.6135515013136608
Energy: 1.668471406352103
Energy: 1.6669095002898577
Energy: 1.6607900329385394
Energy: 1.6669095002898577
Energy: 1.667398899076323
Energy: 1.6181967242814888
Energy: 1.6607199389141836
Energy: 1.6181967242814888
Energy: 1.6135237430741907
Energy: 1.6197321846157355
Energy: 1.6240251453238956
Energy: 1.6197321846157355
Energy: 1.6269331583359896
Energy: 1.6189397786715933
Energy: 1.623333624038635
Energy: 1.6189397786715933
Energy: 1.6989302476714043
Energy: 1.829564061433556
Energy: 1.6227373573400978
Energy: 1.829564061433556
Energy: 1.6965849104533266
Energy: 1.8274829515207813
Energy: 1.6275546351886327
Energy: 1.8274829515207813
Energy: 1.6152906034062307
Energy: 1.6191729505632317
Energy: 1.5221830874604527
Energy: 1.6191729505632317
Energy: 1.6259429818202282
Energy: 1.6192473262514135
Energy: 1.522616835051112
Energy: 1.6192473262514135
Energy: 1.521298226234469
Energy: 1.6670572837588657
Energy: 1.666954469794451
Energy: 1.6670572837588657

minimum gb energy = 1.521298226234469 eV
minimum distance =  2.23702340289275 Angstroms
sigma value = 25


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

Energy: 1.8560835376238694
Energy: 1.6109544155435664
Energy: 1.7728619232805192
Energy: 1.773642372987046
Energy: 1.7666545154231157
Energy: 1.7331274853171932
Energy: 1.6408858411527674
Energy: 1.7331274853171932
Energy: 1.7722401238753938
Energy: 1.7745437760604807
Energy: 1.7674381189433497
Energy: 1.7745437760604807
Energy: 1.7737205786784198
Energy: 1.7332119845537437
Energy: 1.641342628365794
Energy: 1.7332119845537437
Energy: 1.718302797314131
Energy: 1.8383303646715141
Energy: 1.6407901749860412
Energy: 1.8383303646715141
Energy: 1.599298171133818
Energy: 1.6404397388469296
Energy: 1.6377050970296012
Energy: 1.6404397388485235
Energy: 1.5921340393713677
Energy: 1.7309595824167097
Energy: 1.644140387430077
Energy: 1.7309595824167097
Energy: 1.5930498199001126
Energy: 1.7338272967189223
Energy: 1.641306675444437
Energy: 1.7338272967189223
Energy: 1.7703266919354697
Energy: 1.7720252222805075
Energy: 1.92927103611869
Energy: 1.7720252222805075
Energy: 1.8098153520194793
Energy: 1.6025707250649694
Energy: 1.7848786663944678
Energy: 1.6025707250649694
Energy: 1.7661065325963066
Energy: 1.7742794743117574
Energy: 1.7767201365096474
Energy: 1.7742794743133516
Energy: 1.7653702605774868
Energy: 1.734932801201011
Energy: 1.7807745632472847
Energy: 1.734932801201011
Energy: 1.639150177103587
Energy: 1.8438531104049882
Energy: 1.7182618179206548
Energy: 1.8438531104049882
Energy: 1.640980672373694
Energy: 1.7311335044125888
Energy: 1.601435833106884
Energy: 1.7311335044125888
Energy: 1.7276274998319392
Energy: 1.6421156551776364
Energy: 1.5931455826712138
Energy: 1.6421156557767655
Energy: 1.639268345300794
Energy: 1.8308946253635718
Energy: 1.5926061530805633
Energy: 1.8308946253635718
Energy: 1.9307343450034162
Energy: 1.7743706119919789
Energy: 1.7746402057872042
Energy: 1.7743706119919789

minimum gb energy = 1.5921340393713677 eV
minimum distance =  2.23901569886269 Angstroms
sigma value = 17


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

Energy: 2.4828332714694703
Energy: 1.8288955728467169
Energy: 1.92886475029384
Energy: 1.929218698272064
Energy: 1.6316165616673468
Energy: 1.7273353965046807
Energy: 1.8577698939381175
Energy: 1.7273353965046807
Energy: 1.7282770223210153
Energy: 1.7279061493252825
Energy: 1.9460913307932843
Energy: 1.7279061493252825
Energy: 1.7274211920484033
Energy: 1.7308195846540295
Energy: 1.7539012803007874
Energy: 1.7308195846540295
Energy: 1.728421501499347
Energy: 1.867764752099896
Energy: 1.6324789917757725
Energy: 1.867764752099896
Energy: 1.729134756363378
Energy: 1.818793587369528
Energy: 1.729356161199908
Energy: 1.818793587369528
Energy: 1.8150998395149904
Energy: 1.725672815348186
Energy: 1.725569164264267
Energy: 1.725672815348186
Energy: 2.0728491269742166
Energy: 1.7531178987538474
Energy: 1.7286040090144315
Energy: 1.7531178987538474
Energy: 1.9333290271454804
Energy: 1.9287750192641797
Energy: 1.9270657542847005
Energy: 1.9287750192641797
Energy: 1.9403143889465782
Energy: 1.86635658705602
Energy: 1.8723448174955486
Energy: 1.86635658705602
Energy: 1.7237570246998721
Energy: 1.6674738597047924
Energy: 1.6627877138444944
Energy: 1.6674738597047924
Energy: 1.970426395601326
Energy: 1.7084494069370044
Energy: 1.67009312117425
Energy: 1.7084494069370044
Energy: 1.8219221013988756
Energy: 1.707207408958747
Energy: 1.7052726576025479
Energy: 1.707207408958747
Energy: 1.8187833450929605
Energy: 1.7065212745931322
Energy: 1.6641743967553446
Energy: 1.7065212745931322
Energy: 1.9317322442213545
Energy: 1.959411784325545
Energy: 2.0324917899667905
Energy: 1.959411784324642
Energy: 1.9334083642793558
Energy: 1.9301650542706175
Energy: 2.0318848194255716
Energy: 1.9301650542706175
Energy: 1.934266130615729
Energy: 1.7263533494577143
Energy: 1.7297669265964015
Energy: 1.7263533494577143
Energy: 1.9337461113821426
Energy: 1.72680262398305
Energy: 1.7243790407532675
Energy: 1.7268026239839527
Energy: 1.7273200181482582
Energy: 1.8677371936627878
Energy: 1.7279286174430262
Energy: 1.8677371936618847
Energy: 1.7762284074760228
Energy: 1.8218112177619012
Energy: 1.726946686133609
Energy: 1.8218112177619012
Energy: 1.7260789699305108
Energy: 1.756079187877064
Energy: 1.9954506866337598
Energy: 1.756079187877064
Energy: 1.7286642228038382
Energy: 1.7299760341825305
Energy: 2.0705464205079247
Energy: 1.7299760341825305
Energy: 1.8600454720746527
Energy: 1.8670547882797925
Energy: 1.8578360134358112
Energy: 1.8670547882797925
Energy: 1.9302766675178211
Energy: 1.9283727352068232
Energy: 1.9301206516333886
Energy: 1.9283727352068232
Energy: 1.6682374595851575
Energy: 1.7071382718034835
Energy: 1.9385051892293435
Energy: 1.7071382718034835
Energy: 1.6697829290973334
Energy: 1.7081388043667909
Energy: 1.7269975203804815
Energy: 1.7081388043667909
Energy: 1.6623979884866362
Energy: 1.6678429594437345
Energy: 1.8239913195392323
Energy: 1.6678429594446373
Energy: 1.6672459801191084
Energy: 1.7049536147587983
Energy: 1.8169543205778478
Energy: 1.7049536147578954
Energy: 1.6659512693207295
Energy: 1.7335871834193604
Energy: 1.8196868097963261
Energy: 1.7335871834184577
Energy: 2.068939155397665
Energy: 1.9278519553551927
Energy: 1.927042411087546
Energy: 1.9278519553551927

minimum gb energy = 1.6316165616673468 eV
minimum distance =  2.22870029720424 Angstroms
sigma value = 53


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

Energy: 2.273907956085944
Energy: 1.585019370167546
Energy: 1.830059828771052
Energy: 1.8281595505853099
Energy: 2.0622078704480544
Energy: 1.6841317288215383
Energy: 1.8236213998714075
Energy: 1.6841317288215383
Energy: 1.8267798897008873
Energy: 1.8270900128120187
Energy: 1.8581906295633714
Energy: 1.8270900128120187
Energy: 1.8291251236951285
Energy: 1.685721337762338
Energy: 1.829294846667034
Energy: 1.685721337762338
Energy: 1.8681780500245342
Energy: 1.6846435347988094
Energy: 1.564544813389615
Energy: 1.6846435347988094
Energy: 1.8296352732400718
Energy: 1.6900644375677907
Energy: 1.5705766267433463
Energy: 1.6900644375677907
Energy: 2.0664065990121285
Energy: 1.8243472885590282
Energy: 1.8236820819438522
Energy: 1.8243472885590282
Energy: 2.0637853918625195
Energy: 1.8291768498015046
Energy: 1.8286248567586545
Energy: 1.8291768498015046
Energy: 1.8259787889783872
Energy: 1.8266385357700345
Energy: 1.8537612709330555
Energy: 1.8266385357700345
Energy: 1.8295447859793348
Energy: 1.6877213810513467
Energy: 1.8248216876411028
Energy: 1.6877213810513467
Energy: 1.8338440599206616
Energy: 1.6925939064675555
Energy: 1.5876239118721878
Energy: 1.6925939064675555
Energy: 1.8294830525521761
Energy: 1.6839870273167004
Energy: 1.55932010256684
Energy: 1.6839870273167004
Energy: 2.0666005661979168
Energy: 1.8281838737849387
Energy: 1.8288476275640022
Energy: 1.8281838737849387

minimum gb energy = 1.55932010256684 eV
minimum distance =  2.25352541303983 Angstroms
sigma value = 9


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

Energy: 2.21751985655022
Energy: 1.8946629878663448
Energy: 2.031930248405892
Energy: 2.0248011365944407
Energy: 1.7898486947546863
Energy: 1.6942757077197952
Energy: 2.033576566203619
Energy: 1.6942757077197952
Energy: 1.7055388797022917
Energy: 1.698402281252067
Energy: 2.070519084115706
Energy: 1.698402281252067
Energy: 1.694811077178677
Energy: 1.6972551056243284
Energy: 2.0278303786111023
Energy: 1.6972551056235592
Energy: 1.6938111029040765
Energy: 1.6921908355042106
Energy: 2.1455120684772795
Energy: 1.6921908355042106
Energy: 1.6919638240277177
Energy: 1.6938690465565236
Energy: 2.160723102823422
Energy: 1.6938690465565236
Energy: 2.0235592643662494
Energy: 2.014481830406448
Energy: 2.026090666907828
Energy: 2.014481830406448
Energy: 2.02567913026359
Energy: 2.017958219882829
Energy: 2.0133013096931736
Energy: 2.017958219883598
Energy: 1.7925937117223687
Energy: 1.8985850346968194
Energy: 1.8056960568255425
Energy: 1.8985850346968194
Energy: 1.6852494159840585
Energy: 1.814564462830633
Energy: 2.0184475064997067
Energy: 1.814564462830633
Energy: 1.791152024648566
Energy: 1.791221280824506
Energy: 1.8801678679968439
Energy: 1.7912212808237369
Energy: 1.794421342209658
Energy: 1.9039510647534157
Energy: 2.1439679625665837
Energy: 1.9039510647534157
Energy: 2.021471300856284
Energy: 1.7922734229292725
Energy: 1.8039059247543734
Energy: 1.7922734229292725
Energy: 2.023641778005429
Energy: 1.7925470475625125
Energy: 1.7937068990286293
Energy: 1.7925470475625125
Energy: 2.0138862484171054
Energy: 1.8055814677025892
Energy: 1.7942217691484026
Energy: 1.8055814677018198
Energy: 1.9268931139865555
Energy: 1.9013408847129254
Energy: 1.793235895885082
Energy: 1.9013408847136946
Energy: 2.0176478801000095
Energy: 1.8789499162761776
Energy: 1.7947798858795967
Energy: 1.8789499162761776
Energy: 2.0180752213846485
Energy: 2.0200171512145784
Energy: 2.2150358058379003
Energy: 2.0200171512153475
Energy: 2.0336841132699788
Energy: 1.6943966211126864
Energy: 1.6873642870142083
Energy: 1.6943966211126864
Energy: 2.074971537821742
Energy: 1.7013712174746791
Energy: 1.7052452995016893
Energy: 1.70137121747391
Energy: 2.027555033829618
Energy: 1.6949941819606262
Energy: 1.6916818474989657
Energy: 1.6949941819606262
Energy: 2.1617453936158055
Energy: 1.6923955547595861
Energy: 1.6927157048015904
Energy: 1.6923955547603553
Energy: 2.1452802923803507
Energy: 1.693723058967519
Energy: 1.6911334914764418
Energy: 1.693723058967519
Energy: 2.029317906702341
Energy: 2.013212498038657
Energy: 2.0210220946445943
Energy: 2.013212498038657
Energy: 2.0140604824051356
Energy: 2.0136046931034985
Energy: 2.023834839341548
Energy: 2.0136046931034985
Energy: 1.8052487569470874
Energy: 1.8980596085258838
Energy: 1.7900274503902023
Energy: 1.8980596085251145
Energy: 2.0207774905260187
Energy: 1.8145143143907818
Energy: 1.685478158256979
Energy: 1.8145143143907818
Energy: 1.8806021525806318
Energy: 1.7916286216071058
Energy: 1.791544266904916
Energy: 1.7916286216071058
Energy: 2.20801598232685
Energy: 1.7899291614360837
Energy: 1.7945188447607763
Energy: 1.7899291614360837
Energy: 1.804001677769545
Energy: 1.7934970212401615
Energy: 2.0218039567455364
Energy: 1.7934970212393921
Energy: 1.7962555717969
Energy: 1.793970188058274
Energy: 2.0106264300813868
Energy: 1.793970188059043
Energy: 1.7966021337814215
Energy: 1.8036210987379053
Energy: 2.015430869912047
Energy: 1.8036210987379053
Energy: 1.7960022664201971
Energy: 1.9161328909651028
Energy: 1.885099217144841
Energy: 1.9161328909651028
Energy: 1.7936926834452946
Energy: 1.8798696639842083
Energy: 1.8823032856767787
Energy: 1.8798696639849777
Energy: 2.1451540002871647
Energy: 2.0166864175309667
Energy: 2.02074275591974
Energy: 2.0166864175309667

minimum gb energy = 1.6852494159840585 eV
minimum distance =  2.22843085452932 Angstroms
sigma value = 73


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

Energy: 2.115185312893425
Energy: 1.7061082456309995
Energy: 1.933960574912176
Energy: 1.936675476708327
Energy: 1.9005431116988967
Energy: 1.7125969680794644
Energy: 1.907377254660339
Energy: 1.7125969680794644
Energy: 1.7096806540436966
Energy: 1.7119200887367867
Energy: 1.9019704085128872
Energy: 1.7119200887367867
Energy: 1.7113675550976724
Energy: 1.711777077663134
Energy: 2.108312940996683
Energy: 1.711777077663134
Energy: 1.708514477351706
Energy: 1.708946329575361
Energy: 2.0944441461273247
Energy: 1.708946329575361
Energy: 1.708946448144253
Energy: 1.7087030594655463
Energy: 2.0926469415490323
Energy: 1.7087030594655463
Energy: 1.8963624372629222
Energy: 1.9175836868982201
Energy: 1.9177937480266332
Energy: 1.9175836868982201
Energy: 1.8955081573918242
Energy: 1.9113267449153668
Energy: 1.9094481297639694
Energy: 1.9113267449153668
Energy: 1.911993133514832
Energy: 1.8378965023721319
Energy: 1.9145014803808895
Energy: 1.8378965023721319
Energy: 1.6918887410270653
Energy: 1.8359996555549025
Energy: 1.9102262885269423
Energy: 1.8359996555549025
Energy: 1.908297044670724
Energy: 1.9134373486379295
Energy: 1.6981641174591229
Energy: 1.9134373486379295
Energy: 1.9172380372260833
Energy: 1.9095680134227468
Energy: 2.0857648678723884
Energy: 1.9095680134227468
Energy: 1.8940103612647905
Energy: 1.7099249776097416
Energy: 1.7092007648083605
Energy: 1.7099249776097416
Energy: 1.894896113089996
Energy: 1.7098810291734527
Energy: 1.7107658160841779
Energy: 1.7098810291734527
Energy: 2.1084749856796483
Energy: 1.7133011058319623
Energy: 1.7117834821818818
Energy: 1.7133011058319623
Energy: 2.0951683432435764
Energy: 1.7116362595476342
Energy: 1.7107413982669641
Energy: 1.7116362595476342
Energy: 2.0908029091798044
Energy: 1.7105365494330953
Energy: 1.7101221883071678
Energy: 1.7105365494330953
Energy: 1.9130022378063125
Energy: 1.910633421542201
Energy: 1.8974618938469838
Energy: 1.910633421542201
Energy: 1.909106610470752
Energy: 1.8406836904901034
Energy: 1.8958412961017663
Energy: 1.8406836904901034
Energy: 1.9145129248295687
Energy: 1.833474821531129
Energy: 1.9091861775876302
Energy: 1.833474821531129
Energy: 1.9085051829777444
Energy: 1.8349618391776328
Energy: 1.6968328449699484
Energy: 1.8349618391776328
Energy: 2.0878630015688047
Energy: 1.9093072676990608
Energy: 1.9115144941813693
Energy: 1.9093072676990608

minimum gb energy = 1.6918887410270653 eV
minimum distance =  2.22917329514473 Angstroms
sigma value = 7


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

Energy: 2.6666535600699888
Energy: 1.7342151763429245
Energy: 1.9554033349168443
Energy: 1.956458431382307
Energy: 1.8943727240722728
Energy: 1.8402283860845297
Energy: 1.8971961929243573
Energy: 1.8402283860845297
Energy: 1.7226644408747505
Energy: 1.7261347911020424
Energy: 1.8803782086341145
Energy: 1.7261347911020424
Energy: 1.7178976352356095
Energy: 1.7240043539609646
Energy: 2.097010209868147
Energy: 1.7240043539609646
Energy: 1.7289310684024919
Energy: 1.7320737563581592
Energy: 2.0239914071554885
Energy: 1.7320737563581592
Energy: 1.7263879604221917
Energy: 1.746703699954245
Energy: 2.023106752278716
Energy: 1.746703699954245
Energy: 1.8905378138963411
Energy: 1.7259991453731456
Energy: 1.723581556143594
Energy: 1.7259991453731456
Energy: 1.8902140228086581
Energy: 1.7447541224153977
Energy: 1.746087871630452
Energy: 1.7447541224153977
Energy: 2.0906199289197476
Energy: 1.7233944674133603
Energy: 1.722992472427401
Energy: 1.7233944674142236
Energy: 2.0352487826970123
Energy: 1.7264054423690143
Energy: 1.7304401031167058
Energy: 1.7264054423690143
Energy: 1.9021796280390657
Energy: 1.9016554737732705
Energy: 1.720213594554366
Energy: 1.9016554737741336
Energy: 1.9065352457783549
Energy: 1.909105414601245
Energy: 1.8865843076946411
Energy: 1.909105414601245
Energy: 1.885378867359091
Energy: 1.8351727237495388
Energy: 1.9252366429479582
Energy: 1.8351727237495388
Energy: 1.8854744110473376
Energy: 1.8266599668510044
Energy: 1.7345571443549457
Energy: 1.8266599668501415
Energy: 1.9115325752716137
Energy: 1.8320187701751083
Energy: 1.741905131964234
Energy: 1.8320187701751083
Energy: 1.7283437563657889
Energy: 1.9083612989652003
Energy: 1.9075894458480127
Energy: 1.9083612989652003
Energy: 1.7286417068356141
Energy: 1.898615710802576
Energy: 1.9017896180926528
Energy: 1.898615710802576
Energy: 1.7333024189166788
Energy: 1.7270413097778687
Energy: 1.8811081396222762
Energy: 1.7270413097778687
Energy: 1.7181772915219764
Energy: 1.723815288502489
Energy: 1.900047510221395
Energy: 1.723815288502489
Energy: 1.7443976783354243
Energy: 1.7454952825694137
Energy: 1.7331774671156848
Energy: 1.7454952825694137
Energy: 1.7235778997903246
Energy: 1.7257860629661834
Energy: 2.0250296058618127
Energy: 1.7257860629661834
Energy: 1.8904183654306042
Energy: 1.744394440120137
Energy: 1.7270391531173857
Energy: 1.744394440121
Energy: 1.8905980602574084
Energy: 1.7363287632831532
Energy: 1.7306043464930099
Energy: 1.7363287632831532
Energy: 2.0984504318700434
Energy: 1.7233886885475938
Energy: 1.7178936077543467
Energy: 1.7233886885475938
Energy: 2.0331326484427543
Energy: 1.725870779594402
Energy: 1.721746886671046
Energy: 1.725870779594402
Energy: 2.0331035778177906
Energy: 1.970332703343783
Energy: 1.7361799233198032
Energy: 1.970332703343783
Energy: 1.9553992871572288
Energy: 1.9321579792160828
Energy: 2.343808951508589
Energy: 1.9321579792152197
Energy: 1.8989872072293204
Energy: 1.8974913877542716
Energy: 1.9077445656122205
Energy: 1.8974913877534088
Energy: 1.8800830499130339
Energy: 1.8283791853464746
Energy: 1.8856188067267887
Energy: 1.8283791853464746
Energy: 1.917807350566553
Energy: 1.8329751162918464
Energy: 1.7341418552380112
Energy: 1.8329751162927095
Energy: 1.7278291683468083
Energy: 1.9123383905346585
Energy: 1.9104148691034228
Energy: 1.9123383905355216

minimum gb energy = 1.7178936077543467 eV
minimum distance =  2.20827447544447 Angstroms
sigma value = 29


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

Energy: 1.613850574700478
Energy: 1.616111495770817
Energy: 1.6651657306629473
Energy: 1.7610012773051467
Energy: 1.653883373093515
Energy: 1.7852101827361626
Energy: 1.6622407302467188
Energy: 1.785210182736463
Energy: 1.6469689520321829
Energy: 1.7507929432154263
Energy: 1.6204912324174268
Energy: 1.7507929432154263
Energy: 1.626906615767649
Energy: 1.650292588866635
Energy: 1.6460796101550539
Energy: 1.650292588866635
Energy: 1.643912490355757
Energy: 1.6548240215266186
Energy: 1.6247233012313353
Energy: 1.654824021526318
Energy: 1.645379652803145
Energy: 1.7598453461154357
Energy: 1.626656297932256
Energy: 1.7598453461154357
Energy: 1.6188655927149633
Energy: 1.750491303111995
Energy: 1.6463131384365595
Energy: 1.750491303111995
Energy: 1.6602776569868178
Energy: 1.662369523410784
Energy: 1.627931044842898
Energy: 1.6623695234104836
Energy: 1.627670963458728
Energy: 1.653375014906861
Energy: 1.6594269379449993
Energy: 1.6533750149065602

minimum gb energy = 1.613850574700478 eV
minimum distance =  2.25446466973004 Angstroms
sigma value = 5


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

Energy: 2.1470099205005826
Energy: 1.5756711995186459
Energy: 1.8574066967765377
Energy: 1.60811573452635
Energy: 1.6319463416193651
Energy: 1.60557989873858
Energy: 1.8816549257974335
Energy: 1.60557989873858
Energy: 1.880152126165031
Energy: 1.732320691427756
Energy: 1.8835691991784895
Energy: 1.7323206914285714
Energy: 1.6350775784712461
Energy: 1.7338270267810925
Energy: 1.9120390626797117
Energy: 1.7338270267810925
Energy: 1.8674434710144119
Energy: 1.60540441730964
Energy: 1.8803676279119002
Energy: 1.60540441730964
Energy: 1.604261654346232
Energy: 1.644117672909325
Energy: 1.8813972648893234
Energy: 1.644117672909325
Energy: 1.6020675430524463
Energy: 1.600998613471242
Energy: 1.9100656431602443
Energy: 1.600998613471242
Energy: 1.6167996371725435
Energy: 1.6076029272208656
Energy: 2.134648776522732
Energy: 1.6076029272208656
Energy: 1.6758044261269316
Energy: 1.6704252562790745
Energy: 2.1057646377696675
Energy: 1.6704252562790745
Energy: 1.8869805638015598
Energy: 1.573234103661406
Energy: 1.5782036942091981
Energy: 1.573234103662221
Energy: 1.6387940199393032
Energy: 1.5705205084479286
Energy: 1.569969175755676
Energy: 1.5705205084479286
Energy: 2.1203747125231653
Energy: 1.5702659662229757
Energy: 1.570199801792865
Energy: 1.5702659662229757
Energy: 2.1286443273375073
Energy: 1.5696881006112635
Energy: 1.5822455014463177
Energy: 1.5696881006112635
Energy: 1.6293332951236
Energy: 1.6622992689556908
Energy: 1.8838031626627063
Energy: 1.6622992689556908
Energy: 1.6054067911659935
Energy: 1.6027343177716333
Energy: 1.8847132058647997
Energy: 1.6027343177716333
Energy: 1.6087372366224404
Energy: 1.6052717104799112
Energy: 1.8219170121628967
Energy: 1.6052717104799112
Energy: 1.6040980444570452
Energy: 1.602027974847084
Energy: 1.629796205370499
Energy: 1.602027974847084
Energy: 1.9139617894294636
Energy: 1.607503842824878
Energy: 1.632925484295006
Energy: 1.607503842824878
Energy: 1.8872753166451
Energy: 1.7359349101199302
Energy: 1.8829025732817002
Energy: 1.7359349101199302
Energy: 1.9110572646716808
Energy: 1.7357001439666773
Energy: 1.63057545527187
Energy: 1.7357001439666773
Energy: 1.8825119890932653
Energy: 1.6196061088167253
Energy: 1.8660090593694583
Energy: 1.6196061088167253
Energy: 1.8800951672950557
Energy: 1.602539325740429
Energy: 1.6015512436291686
Energy: 1.6025393257412444
Energy: 1.869375910442812
Energy: 1.6014806341003172
Energy: 1.6040727891456237
Energy: 1.6014806341003172
Energy: 2.129354446119653
Energy: 1.605565951547115
Energy: 1.6104907768045078
Energy: 1.605565951547115
Energy: 2.1073459837897137
Energy: 1.6735947620820117
Energy: 1.6382460706350988
Energy: 1.6735947620820117
Energy: 1.5740730292596394
Energy: 1.5754950473838016
Energy: 1.8867917320059868
Energy: 1.5754950473838016
Energy: 1.5743753231334954
Energy: 1.5713027644473783
Energy: 1.6767733100886282
Energy: 1.5713027644473783
Energy: 1.5687310537819872
Energy: 1.574095982061205
Energy: 1.6873410755287404
Energy: 1.5740959820603897
Energy: 1.578067468233876
Energy: 1.5711167437672413
Energy: 2.137466670528364
Energy: 1.5711167437672413
Energy: 1.8849960093421345
Energy: 1.6613243613779856
Energy: 1.637567957757185
Energy: 1.6613243613771702
Energy: 1.8848022271921265
Energy: 1.6037946573555522
Energy: 1.6048635549586105
Energy: 1.6037946573555522
Energy: 1.822208200576386
Energy: 1.6032075936454273
Energy: 1.6039488995445554
Energy: 1.6032075936454273
Energy: 1.632218061655015
Energy: 1.6015749977592972
Energy: 1.6020047451726849
Energy: 1.6015749977617433

minimum gb energy = 1.5687310537819872 eV
minimum distance =  2.21962042395518 Angstroms
sigma value = 1


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

Energy: 2.2761865969733983
Energy: 1.513092642530038
Energy: 1.8110832469194411
Energy: 1.5365897336740046
Energy: 1.5635644848273536
Energy: 1.5369706834881944
Energy: 1.8660833552659448
Energy: 1.5369706834881944
Energy: 1.8663899696862354
Energy: 1.6996770532253433
Energy: 1.8745793840618101
Energy: 1.6996770532253433
Energy: 1.5624257415404448
Energy: 1.6998604762870193
Energy: 1.8433758266726505
Energy: 1.6998604762870193
Energy: 1.533065601430507
Energy: 1.5318934846250625
Energy: 1.901709485380789
Energy: 1.5318934846261896
Energy: 1.5310945613174138
Energy: 1.5757460395357876
Energy: 1.9006917639030712
Energy: 1.5757460395357876
Energy: 1.528640605840198
Energy: 1.5304827006985804
Energy: 1.8927104886223387
Energy: 1.5304827006985804
Energy: 1.5376936149622287
Energy: 1.539653324331782
Energy: 2.116891807379083
Energy: 1.5396533243306547
Energy: 1.8907922294786228
Energy: 1.6343948613624575
Energy: 2.1140166605741895
Energy: 1.6343948613624575
Energy: 1.9171635324462566
Energy: 1.5353622787600745
Energy: 1.5379395181893512
Energy: 1.5353622787600745
Energy: 1.8921096882531923
Energy: 1.5305329134680823
Energy: 1.5296336211210164
Energy: 1.5305329134680823
Energy: 2.2170637299307594
Energy: 1.5489522360623063
Energy: 1.530920966908633
Energy: 1.5489522360623063
Energy: 2.211190659818175
Energy: 1.5320938681864036
Energy: 1.5327036879926648
Energy: 1.5320938681852763
Energy: 1.8418554757325658
Energy: 1.698797396649397
Energy: 1.8740620471421876
Energy: 1.698797396649397
Energy: 1.567798470114678
Energy: 1.6978530133226146
Energy: 1.8728213566029495
Energy: 1.6978530133226146
Energy: 1.5637004977081232
Energy: 1.534518700032858
Energy: 1.5386895883490064
Energy: 1.5345187000317309
Energy: 1.532576654303309
Energy: 1.535169050578958
Energy: 1.8993783688616808
Energy: 1.535169050578958
Energy: 1.5498855572307932
Energy: 1.5353370672479614
Energy: 1.8839576974757986
Energy: 1.5353370672479614
Energy: 1.5286973800191432
Energy: 1.5339094792945829
Energy: 2.114871628722439
Energy: 1.5339094792945829
Energy: 1.5775022246943844
Energy: 1.568381369957836
Energy: 1.4897504928174599
Energy: 1.568381369957836
Energy: 1.8985809977344843
Energy: 1.6218543561011667
Energy: 1.536686686471725
Energy: 1.6218543561011667
Energy: 1.8986263649846016
Energy: 1.534089194414977
Energy: 1.5356907363276353
Energy: 1.5340891944138497
Energy: 1.844427284320129
Energy: 1.5309747692313505
Energy: 1.5314644098407184
Energy: 1.5309747692313505
Energy: 2.2114253040049845
Energy: 1.5319656133109338
Energy: 1.5310944705481384
Energy: 1.5319656133109338

minimum gb energy = 1.4897504928174599 eV
minimum distance =  2.22137879314548 Angstroms
sigma value = 17


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

Energy: 2.4090567325671546
Energy: 1.4934326290983564
Energy: 1.8096954581365554
Energy: 1.8038585544145282
Energy: 1.5268166629424644
Energy: 1.5103682754891228
Energy: 1.7439288544709366
Energy: 1.5103682754877292
Energy: 1.9661458814195871
Energy: 1.5141563354164977
Energy: 1.7510687270766512
Energy: 1.5141563354164977
Energy: 1.9663265204743061
Energy: 1.5977151291263718
Energy: 1.7416568584789682
Energy: 1.5977151291277654
Energy: 1.6831351724132444
Energy: 1.484315272576825
Energy: 1.765452019920319
Energy: 1.484315272576825
Energy: 1.4858761956107343
Energy: 1.48293565873056
Energy: 1.7211777844291747
Energy: 1.4829356587312565
Energy: 1.4851811430496666
Energy: 1.483677459892283
Energy: 1.6111216269984778
Energy: 1.4836774598915863
Energy: 1.4972277868090995
Energy: 1.4870849886705126
Energy: 1.5020300755218594
Energy: 1.4870849886698159
Energy: 1.9416726423212576
Energy: 1.4876966444558992
Energy: 1.9372575368606522
Energy: 1.4876966444565962
Energy: 1.7442973094148377
Energy: 1.5975853004664902
Energy: 1.7174901209277287
Energy: 1.5975853004664902
Energy: 1.68731509331223
Energy: 1.5062726198558938
Energy: 1.5246274547977992
Energy: 1.5062726198558938
Energy: 1.7232647421728473
Energy: 1.529733823846905
Energy: 1.7416082801305572
Energy: 1.529733823846905
Energy: 1.7633308852270835
Energy: 1.5064722207439256
Energy: 1.5078219789073304
Energy: 1.5064722207432288
Energy: 1.5474487792359097
Energy: 1.5064497138274089
Energy: 1.5094041367235544
Energy: 1.5064497138267121
Energy: 1.9604540243268058
Energy: 1.510376271774451
Energy: 1.5140687449898411
Energy: 1.510376271774451
Energy: 1.50059108081409
Energy: 1.5088098379162889
Energy: 1.55840800104375
Energy: 1.5088098379169854
Energy: 1.5575031142850364
Energy: 1.730915799531049
Energy: 1.7505406519503381
Energy: 1.7309157995303521
Energy: 1.5065036730890355
Energy: 1.5073410405035073
Energy: 1.9417802011704688
Energy: 1.5073410405035073
Energy: 1.5549530108187668
Energy: 1.5117545963824592
Energy: 1.9266293627152
Energy: 1.5117545963824592
Energy: 1.5199394210743529
Energy: 1.5090478913951428
Energy: 1.4792524866540246
Energy: 1.5090478913958396
Energy: 1.7572703599160109
Energy: 1.5096377408408392
Energy: 1.5222241791907682
Energy: 1.5096377408408392
Energy: 1.7532575177238123
Energy: 1.5132263750901005
Energy: 1.9634685865990658
Energy: 1.513226375089404
Energy: 1.7029053909549645
Energy: 1.593437186066384
Energy: 1.965408201859456
Energy: 1.5934371860656873
Energy: 1.738030795952561
Energy: 1.4858707721682112
Energy: 1.682086720510631
Energy: 1.4858707721682112
Energy: 1.7228753077101329
Energy: 1.4994072247121213
Energy: 1.484157430938753
Energy: 1.4994072247121213
Energy: 1.7438998575822382
Energy: 1.4851029704010787
Energy: 1.4897186472453237
Energy: 1.4851029704010787
Energy: 1.4803639090321468
Energy: 1.4894909639287266
Energy: 1.495994270947481
Energy: 1.4894909639287266
Energy: 1.7087136808682977
Energy: 1.4885972773836187
Energy: 1.9381834670303437
Energy: 1.4885972773843152
Energy: 1.7438720025440968
Energy: 1.5927345352896256
Energy: 1.745776440736445
Energy: 1.5927345352889288
Energy: 1.5267096943981362
Energy: 1.5060323827513449
Energy: 1.6846504500272135
Energy: 1.5060323827513449
Energy: 1.7032451311954975
Energy: 1.5400017229998066
Energy: 1.7237775151241326
Energy: 1.5400017229998066
Energy: 1.5072136272476893
Energy: 1.5073471212513105
Energy: 1.7154210452943612
Energy: 1.5073471212513105
Energy: 1.506253564718772
Energy: 1.5055419334048574
Energy: 1.50823212303183
Energy: 1.5055419334048574
Energy: 1.5191205985771183
Energy: 1.5126201233458447
Energy: 1.9627273621770915
Energy: 1.5126201233465415
Energy: 1.5166980254641194
Energy: 1.5652062881359083
Energy: 1.7359925125663322
Energy: 1.5652062881359083
Energy: 2.189349456956021
Energy: 1.5158668517625846
Energy: 1.5515580034637215
Energy: 1.5158668517625846
Energy: 1.9394923866665599
Energy: 1.50571338638134
Energy: 1.5071418394740488
Energy: 1.50571338638134
Energy: 1.9355706145529836
Energy: 1.5277820262520967
Energy: 1.5081814223860943
Energy: 1.5277820262514001

minimum gb energy = 1.4792524866540246 eV
minimum distance =  2.21477419181862 Angstroms
sigma value = 89


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

Energy: 2.5361213493083983
Energy: 1.4309408192498048
Energy: 1.3860549116125904
Energy: 1.3849975113660105
Energy: 1.372578882547114
Energy: 1.5255185287249313
Energy: 1.385393347032677
Energy: 1.5255185287249313
Energy: 1.3696045359212854
Energy: 1.5273817430489705
Energy: 1.4151810499770563
Energy: 1.5273817430489705
Energy: 1.3732735165928251
Energy: 1.5280293164703425
Energy: 1.3819243115755968
Energy: 1.5280293164703425
Energy: 1.379591337330863
Energy: 1.3813864392823028
Energy: 1.4040703035006656
Energy: 1.3813864392823028
Energy: 1.3804385800124472
Energy: 1.379781843816831
Energy: 1.4038797490911876
Energy: 1.379781843816831
Energy: 1.379301239862957
Energy: 1.3776129522310805
Energy: 1.382314205294365
Energy: 1.3776129522310805
Energy: 1.3857357110447532
Energy: 1.3869925813630362
Energy: 1.3678382885000784
Energy: 1.3869925813630362
Energy: 1.3838756150201714
Energy: 1.3866012915321877
Energy: 1.3820781494147714
Energy: 1.3866012915321877
Energy: 1.4136315796560053
Energy: 1.5293939789732631
Energy: 1.412850341734398
Energy: 1.5293939789732631
Energy: 1.3821314253985633
Energy: 1.5290926918473553
Energy: 1.36665468367828
Energy: 1.5290926918473553
Energy: 1.402852654753596
Energy: 1.3827818466114299
Energy: 1.3836654868386475
Energy: 1.3827818466114299
Energy: 1.405831924082011
Energy: 1.3839578317831742
Energy: 1.3792149133716434
Energy: 1.3839578317831742
Energy: 1.411763638038795
Energy: 1.3768657135946574
Energy: 1.3771748595272193
Energy: 1.3768657135946574
Energy: 1.3678129597932307
Energy: 1.382331165830655
Energy: 1.382977586788073
Energy: 1.382331165830655

minimum gb energy = 1.36665468367828 eV
minimum distance =  2.24265327785591 Angstroms
sigma value = 13


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

Energy: 2.262399887013454
Energy: 1.3139380309253226
Energy: 1.6697315805856523
Energy: 1.3035344649338054
Energy: 1.304301398452729
Energy: 1.2992075033273498
Energy: 1.5712583992656968
Energy: 1.2992075033273498
Energy: 1.3580755911398859
Energy: 1.2973499940139301
Energy: 1.5497439240421729
Energy: 1.2973499940146942
Energy: 1.7783630972750173
Energy: 1.3032988963789773
Energy: 1.5255675338773556
Energy: 1.3032988963797416
Energy: 1.5340139977574243
Energy: 1.2998742702548591
Energy: 1.9702544601705185
Energy: 1.2998742702548591
Energy: 1.552113194454551
Energy: 1.2999468405619425
Energy: 1.968046319186633
Energy: 1.2999468405634707
Energy: 1.5501137842970103
Energy: 1.2983730809583918
Energy: 1.5221853909061398
Energy: 1.2983730809583918
Energy: 1.31964470159998
Energy: 1.3005914131390834
Energy: 1.9385184555085093
Energy: 1.3005914131390834
Energy: 1.3218267061961555
Energy: 1.3018131978970289
Energy: 1.5273590706308662
Energy: 1.3018131978970289
Energy: 1.2964297020151543
Energy: 1.296927714682464
Energy: 1.5291652456905023
Energy: 1.296927714682464
Energy: 1.3284596214034639
Energy: 1.3072127203643311
Energy: 2.263632844452633
Energy: 1.3072127203643311
Energy: 1.8063612003147362
Energy: 1.2969453565018632
Energy: 1.5292259242305886
Energy: 1.2969453565018632
Energy: 1.8342623487091592
Energy: 1.3825615737733887
Energy: 1.5490964182546914
Energy: 1.3825615737733887
Energy: 1.5265852119085521
Energy: 1.3861167549702045
Energy: 1.7833833612325796
Energy: 1.3861167549702045
Energy: 1.5593258601541322
Energy: 1.3002181707467677
Energy: 1.5280398889504012
Energy: 1.3002181707467677
Energy: 1.556940930929409
Energy: 1.299385910903333
Energy: 1.3025953606746985
Energy: 1.2993859109025687
Energy: 1.5284386346642964
Energy: 1.2977086897265342
Energy: 1.3030755009443704
Energy: 1.297708689727298
Energy: 2.137957115854527
Energy: 1.3002286154380014
Energy: 1.3070593910931536
Energy: 1.3002286154441138
Energy: 1.7446161428665476
Energy: 1.301672431183473
Energy: 1.5216995178142898
Energy: 1.3016724311827093
Energy: 1.5282608389299441
Energy: 1.2959601423141196
Energy: 1.5429533559636517
Energy: 1.2959601423148837
Energy: 1.7783036513002726
Energy: 1.307892926525916
Energy: 1.520920821941235
Energy: 1.307892926525916
Energy: 1.5281791096249684
Energy: 1.3981831048990458
Energy: 1.9678290026837333
Energy: 1.3981831048990458
Energy: 1.5333648706728407
Energy: 1.3006070135507486
Energy: 1.971695756918882
Energy: 1.3006070135507486
Energy: 1.3035342688865161
Energy: 1.2955852458054458
Energy: 1.5259930683799414
Energy: 1.2955852458054458
Energy: 1.5239492502957952
Energy: 1.2986485246913737
Energy: 1.7997498327614647
Energy: 1.298648524692138
Energy: 1.2987418805925481
Energy: 1.3209688843388008
Energy: 1.9369684194306298
Energy: 1.3209688843395648
Energy: 1.2964048044674907
Energy: 1.2958903412160492
Energy: 1.8055236745816543
Energy: 1.2958903412160492
Energy: 1.330026571387148
Energy: 1.3053167419453933
Energy: 2.1392006154557555
Energy: 1.305316741946157
Energy: 1.5202458617516108
Energy: 1.2991969734038085
Energy: 1.7349689484302853
Energy: 1.2991969734045723
Energy: 1.539996723939666
Energy: 1.3867945772872734
Energy: 1.5203283506186256
Energy: 1.3867945772872734
Energy: 1.800936812133811
Energy: 1.3942358397772134
Energy: 1.779911310926561
Energy: 1.3942358397772134
Energy: 1.5573916768724938
Energy: 1.3005401019533274
Energy: 1.5197200944741889
Energy: 1.3005401019533274
Energy: 1.5262882358887104
Energy: 1.3011500544323076
Energy: 1.3270500596967785
Energy: 1.3011500544323076
Energy: 1.8041343081503964
Energy: 1.295672425395714
Energy: 1.2973160466249383
Energy: 1.2956724253964782
Energy: 1.732599840483274
Energy: 1.2990514458236144
Energy: 1.3042636276114092
Energy: 1.2990514458236144

minimum gb energy = 1.2955852458054458 eV
minimum distance =  2.23531711184083 Angstroms
sigma value = 37


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

Energy: 1.9983865153033542
Energy: 1.2481748187935362
Energy: 1.1852962118926993
Energy: 1.1872649499825954
Energy: 1.941837413837541
Energy: 1.1830796466219622
Energy: 1.565468790696476
Energy: 1.1830796466219622
Energy: 1.945178242380833
Energy: 1.180720623665321
Energy: 1.5792103150330947
Energy: 1.180720623665321
Energy: 1.9433954891401448
Energy: 1.338890537046769
Energy: 1.5712377458937004
Energy: 1.338890537046769
Energy: 1.9532837340768623
Energy: 1.337442096894398
Energy: 1.5783594060353332
Energy: 1.337442096894398
Energy: 1.5781612691846496
Energy: 1.1827158769905948
Energy: 1.5988044570811069
Energy: 1.1827158769905948
Energy: 1.1756349973113203
Energy: 1.1798263324406957
Energy: 1.9540825439680525
Energy: 1.1798263324406957
Energy: 1.197765075673594
Energy: 1.1815087307184642
Energy: 1.9443304529704823
Energy: 1.1815087307184642
Energy: 1.1804329291690514
Energy: 1.1879133315347976
Energy: 1.9435374128961
Energy: 1.1879133315347976
Energy: 1.1806800439352865
Energy: 1.1829180896549052
Energy: 1.9581803086323237
Energy: 1.1829180896549052
Energy: 1.185271497434602
Energy: 1.187264949344002
Energy: 1.9983865153033542
Energy: 1.2481748187935362
Energy: 1.565468790696476
Energy: 1.1830796466219622
Energy: 1.941837413837541
Energy: 1.1830796466219622
Energy: 1.5792103150330947
Energy: 1.180720623665321
Energy: 1.945178242380833
Energy: 1.180720623665321
Energy: 1.5712377458937004
Energy: 1.338890537046769
Energy: 1.9433954891414593
Energy: 1.338890537046769
Energy: 1.5783594060353332
Energy: 1.337442096894398
Energy: 1.9532837340768623
Energy: 1.337442096894398
Energy: 1.5988044570811069
Energy: 1.1827158769905948
Energy: 1.5781612691846496
Energy: 1.1827158769905948
Energy: 1.954082543966738
Energy: 1.1798263324406957
Energy: 1.1756349973113203
Energy: 1.1798263324406957
Energy: 1.9443304529717969
Energy: 1.1815087307184642
Energy: 1.197765075673594
Energy: 1.1815087307184642
Energy: 1.9435374128961
Energy: 1.1879133315347976
Energy: 1.1804329291690514
Energy: 1.1879133315347976
Energy: 1.9581803086323237
Energy: 1.1829180896549052
Energy: 1.1806800439352865
Energy: 1.1829180896549052

minimum gb energy = 1.1756349973113203 eV
minimum distance =  2.23982342761054 Angstroms
sigma value = 25


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

Energy: 2.3228951578034427
Energy: 1.1017161962490944
Energy: 1.0453126998129276
Energy: 1.0436885317441238
Energy: 2.1381318130178832
Energy: 1.0443457997440284
Energy: 1.3615310740193025
Energy: 1.0443457997440284
Energy: 2.1415995758143027
Energy: 1.0428077864669136
Energy: 1.3644017079582134
Energy: 1.0428077864669136
Energy: 1.6720341332235793
Energy: 1.0532387106602752
Energy: 1.3606718842582852
Energy: 1.0532387106602752
Energy: 1.9166070272484772
Energy: 1.1664061029136723
Energy: 1.9109390794510142
Energy: 1.1664061029136723
Energy: 1.6861809864531725
Energy: 1.1644323219863086
Energy: 1.9162239088252206
Energy: 1.1644323219863086
Energy: 1.6778385018416937
Energy: 1.1664948679034628
Energy: 1.91180032511161
Energy: 1.1664948679034628
Energy: 1.3601707266531167
Energy: 1.0540231845380723
Energy: 1.9116709085176744
Energy: 1.0540231845390988
Energy: 1.3680911042386754
Energy: 1.0426199464951995
Energy: 2.1449911378902558
Energy: 1.0426199464951995
Energy: 1.368147883136016
Energy: 1.044537437053798
Energy: 2.149882681783044
Energy: 1.044537437053798
Energy: 1.0443399049258808
Energy: 1.0515338897586521
Energy: 1.997474212854267
Energy: 1.0515338897586521
Energy: 1.0493693753340592
Energy: 1.0441689725425285
Energy: 2.1485377678430964
Energy: 1.0441689725425285
Energy: 1.0456758559949244
Energy: 1.0481833377892045
Energy: 2.1377896325128125
Energy: 1.0481833377892045
Energy: 1.066148049098456
Energy: 1.056086002190687
Energy: 2.133308401703393
Energy: 1.056086002190687
Energy: 1.366591375271764
Energy: 1.0421434864135393
Energy: 2.1443313732338107
Energy: 1.0421434864125125
Energy: 1.367848484605126
Energy: 1.0455569632078217
Energy: 2.1370346024642446
Energy: 1.0455569632078217
Energy: 1.9098559166496496
Energy: 1.0481887734465984
Energy: 2.13653556763673
Energy: 1.048188773445572
Energy: 1.3570333785577855
Energy: 1.17274113777059
Energy: 1.9175164781339982
Energy: 1.17274113777059
Energy: 1.9114446153918832
Energy: 1.1659156607810042
Energy: 1.679740022206072
Energy: 1.1659156607810042
Energy: 2.147423857233339
Energy: 1.1652718578633185
Energy: 1.685839309626865
Energy: 1.1652718578622918
Energy: 1.9990520863552537
Energy: 1.0430880544716554
Energy: 1.3652054312707929
Energy: 1.0430880544716554
Energy: 2.1473349253848335
Energy: 1.0413113444399322
Energy: 1.0438939225037593
Energy: 1.0413113444399322
Energy: 2.1371253413955236
Energy: 1.0480226970763578
Energy: 1.3716142632933905
Energy: 1.0480226970763578
Energy: 1.9136767937760661
Energy: 1.0428365558587998
Energy: 1.0443898839233419
Energy: 1.0428365558587998
Energy: 2.1446856831276344
Energy: 1.042646257763777
Energy: 1.0432560232624808
Energy: 1.042646257763777
Energy: 2.1318538880361158
Energy: 1.0464246379304414
Energy: 1.051839792324996
Energy: 1.0464246379294149

minimum gb energy = 1.0413113444399322 eV
minimum distance =  2.24225990423098 Angstroms
sigma value = 41


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

Energy: 2.516825669379549
Energy: 0.9912290648589037
Energy: 0.9463247283674173
Energy: 0.9464708526183323
Energy: 2.2675945647501687
Energy: 0.9437240583429533
Energy: 1.2024371396192375
Energy: 0.9437240583437947
Energy: 2.2656744835711415
Energy: 0.9418024488417129
Energy: 1.2095131168521103
Energy: 0.9418024488417129
Energy: 1.8801030417902005
Energy: 0.9513802023437866
Energy: 1.4918039639370262
Energy: 0.9513802023437866
Energy: 2.078874100711241
Energy: 0.9387166122970529
Energy: 1.681306013845222
Energy: 0.9387166122962115
Energy: 1.8856815728981768
Energy: 0.9418622463886308
Energy: 1.6825042066076088
Energy: 0.9418622463886308
Energy: 1.8923930241701612
Energy: 1.0451326536571737
Energy: 1.8940766507817275
Energy: 1.0451326536571737
Energy: 1.6910661681343804
Energy: 1.047881008142724
Energy: 1.6794899055521093
Energy: 1.0478810081418821
Energy: 1.4640441023888093
Energy: 1.0396120065018182
Energy: 2.076343818122685
Energy: 1.0396120065018182
Energy: 1.4698923122656067
Energy: 0.9390865275025153
Energy: 2.2663073283383204
Energy: 0.9390865275033567
Energy: 1.2154654610184674
Energy: 0.9499794963546433
Energy: 2.068631652427905
Energy: 0.9499794963538019
Energy: 1.2007757469271207
Energy: 0.9397849312787272
Energy: 2.267886629954248
Energy: 0.9397849312787272
Energy: 1.2157642750890552
Energy: 0.9444990126969032
Energy: 2.271002595711263
Energy: 0.9444990126969032
Energy: 0.9407555225983075
Energy: 0.952546908795516
Energy: 2.067208086845616
Energy: 0.952546908795516
Energy: 0.9438044071472936
Energy: 0.942073908776412
Energy: 2.262553223780218
Energy: 0.942073908776412
Energy: 0.9496636905169592
Energy: 0.9440336298363549
Energy: 2.266276789003207
Energy: 0.9440336298363549
Energy: 1.2166578641466503
Energy: 0.948293812527081
Energy: 2.2525660936870637
Energy: 0.948293812527081
Energy: 1.19791182945782
Energy: 0.9395319045709264
Energy: 2.2623301751134424
Energy: 0.9395319045709264
Energy: 1.2074210376376615
Energy: 0.946384493066789
Energy: 1.88830251467549
Energy: 0.946384493066789
Energy: 1.6815194748354125
Energy: 0.9439154831788613
Energy: 1.8857513580974241
Energy: 0.9439154831788613
Energy: 1.6835926474728216
Energy: 0.9402568029842203
Energy: 2.071105113223143
Energy: 0.9402568029842203
Energy: 1.6827975223037677
Energy: 1.0425654697458906
Energy: 1.896694196035563
Energy: 1.042565469741683
Energy: 2.0773933870175814
Energy: 1.0398550170037524
Energy: 1.8820659483071858
Energy: 1.039855017004594
Energy: 1.678627752458667
Energy: 1.0402195665014375
Energy: 1.681207750738625
Energy: 1.0402195665014375
Energy: 2.072918274761828
Energy: 0.9404784417207317
Energy: 1.4540345812705473
Energy: 0.9404784417207317
Energy: 2.0759037124290383
Energy: 0.9427670982190648
Energy: 1.680218739720784
Energy: 0.9427670982190648
Energy: 2.0842131525751593
Energy: 0.9472482876054187
Energy: 1.2207779124449725
Energy: 0.9472482876054187
Energy: 2.261749870297013
Energy: 0.9399536267463675
Energy: 1.196850530797644
Energy: 0.9399536267463675
Energy: 2.0804647980439093
Energy: 0.9475133655791808
Energy: 1.2151793607672958
Energy: 0.9475133655791808
Energy: 2.0765789173460782
Energy: 0.9492213317231492
Energy: 0.9509376487647879
Energy: 0.9492213317231492
Energy: 2.2631817095246705
Energy: 0.9417555151028684
Energy: 0.942880667841152
Energy: 0.9417555151020266
Energy: 2.2527080340463685
Energy: 0.9518212450338138
Energy: 0.9411994942105535
Energy: 0.9518212450346554

minimum gb energy = 0.9387166122962115 eV
minimum distance =  2.24198454037143 Angstroms
sigma value = 15


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

Energy: 2.1850388232361984
Energy: 0.8863899534332313
Energy: 1.3301988442261663
Energy: 0.8733380892358124
Energy: 2.349830332982455
Energy: 0.8661518248204896
Energy: 1.0914031674168092
Energy: 0.8661518248204896
Energy: 2.345852644242479
Energy: 0.8640602218624099
Energy: 1.0898013286501744
Energy: 0.8640602218624099
Energy: 2.0352566713223554
Energy: 0.8716504507762411
Energy: 1.514396360246988
Energy: 0.8716504507762411
Energy: 2.1874594457473737
Energy: 0.8604828365797683
Energy: 1.497333564290052
Energy: 0.8604828365790553
Energy: 2.023918240247473
Energy: 0.8613257529150307
Energy: 1.4988459982144382
Energy: 0.8613257529128919
Energy: 1.6919733568076172
Energy: 0.8664529727714899
Energy: 1.8529871131312527
Energy: 0.8664529727707769
Energy: 1.8595037698263295
Energy: 0.9542508935954139
Energy: 1.4995895087445161
Energy: 0.9542508935961268
Energy: 1.6824136573770139
Energy: 0.9460922515446877
Energy: 1.8490300928237315
Energy: 0.9460922515454006
Energy: 1.6798486629842138
Energy: 0.9479691307534834
Energy: 2.1792906141251667
Energy: 0.9479691307527707
Energy: 1.5103959378305016
Energy: 0.8686770076070084
Energy: 1.8484728548769476
Energy: 0.8686770076062956
Energy: 1.2974395081212209
Energy: 0.8592561188836787
Energy: 2.179631949508532
Energy: 0.859256118882253
Energy: 1.500825520703518
Energy: 0.8621389327596061
Energy: 2.182181914217313
Energy: 0.8621389327596061
Energy: 1.1110773902631852
Energy: 0.8709338742746778
Energy: 1.8617760060761
Energy: 0.8709338742746778
Energy: 1.08094897050754
Energy: 0.8609395067871327
Energy: 2.34143232402502
Energy: 0.8609395067878457
Energy: 1.0975307541671424
Energy: 0.8682135813013251
Energy: 2.186798798162209
Energy: 0.8682135813006121
Energy: 0.8747423203526966
Energy: 0.8715564741752015
Energy: 2.1924043456234266
Energy: 0.8715564741752015
Energy: 0.8607252662603125
Energy: 0.8606789096735772
Energy: 2.33917441181078
Energy: 0.8606789096742902
Energy: 0.8776204965682693
Energy: 0.8677746107349427
Energy: 2.0281171909070013
Energy: 0.8677746107349427
Energy: 1.0998196907861666
Energy: 0.86549642492841
Energy: 2.3494779065620053
Energy: 0.8654964249291228
Energy: 1.0767887995779302
Energy: 0.860725614933993
Energy: 2.3400626310242254
Energy: 0.860725614933993
Energy: 1.1021546077496356
Energy: 0.8700700384122492
Energy: 2.0344388337444257
Energy: 0.8700700384129622
Energy: 1.5000015257482102
Energy: 0.8635907536663546
Energy: 2.0187973714755025
Energy: 0.8635907536627903
Energy: 1.4999559078995024
Energy: 0.8600203781199994
Energy: 2.181249414404794
Energy: 0.8600203781199994
Energy: 1.5134974136879966
Energy: 0.8674587128842559
Energy: 1.6945189651452537
Energy: 0.8674587128849688
Energy: 1.8534592975647515
Energy: 1.2188741507581562
Energy: 2.1818431724221545
Energy: 1.2188741507581562
Energy: 1.496047947935207
Energy: 0.9466989572662469
Energy: 1.8517415195874636
Energy: 0.9466989572662469
Energy: 1.8614257610216531
Energy: 0.9550734576279302
Energy: 1.6958487900401207
Energy: 0.9550734576272174
Energy: 1.8585170218277982
Energy: 0.8654856928805439
Energy: 1.8536960988883555
Energy: 0.8654856928805439
Energy: 1.8522475356685286
Energy: 0.8620538724183139
Energy: 1.5041126781927319
Energy: 0.8620538724197397
Energy: 2.1878477942350303
Energy: 0.8610262628739467
Energy: 1.2982631759322478
Energy: 0.8610262628725209
Energy: 1.8607888439163278
Energy: 0.8705703392962137
Energy: 1.5106167301160094
Energy: 0.8705703392962137
Energy: 2.1834361985023087
Energy: 0.8647763979455916
Energy: 1.0998116675826628
Energy: 0.8647763979455916
Energy: 2.34539046079797
Energy: 0.8645162017933271
Energy: 1.098152206902485
Energy: 0.864516201794753
Energy: 2.1755199702235277
Energy: 0.870581870545245
Energy: 0.8855836353000557
Energy: 0.8705818705502355
Energy: 2.3466478245486884
Energy: 0.8636613236782029
Energy: 0.8723400345703582
Energy: 0.8636613236774899
Energy: 2.341161864154513
Energy: 0.8644900327090245
Energy: 0.8663540006895881
Energy: 0.8644900327090245

minimum gb energy = 0.859256118882253 eV
minimum distance =  2.2393572329279 Angstroms
sigma value = 85


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

Energy: 2.319469911301867
Energy: 0.810854748137069
Energy: 0.775973126552797
Energy: 0.7765645993434532
Energy: 2.3762292333973676
Energy: 0.7793040642167061
Energy: 0.9793621611187621
Energy: 0.7793040642167061
Energy: 2.099969673371164
Energy: 0.7787022183509307
Energy: 0.9786740077205265
Energy: 0.7787022183515491
Energy: 1.800151076654956
Energy: 0.7762998190820886
Energy: 1.3420511505970778
Energy: 0.7762998190820886
Energy: 2.2407591592238085
Energy: 0.7754880145971862
Energy: 1.3359476798564363
Energy: 0.7754880145971862
Energy: 1.805656161495752
Energy: 0.7772648974897765
Energy: 1.3444151142481815
Energy: 0.77726489748854
Energy: 1.8021999283972694
Energy: 0.7782435155897247
Energy: 1.657011090332308
Energy: 0.7782435155891064
Energy: 1.9552035075363106
Energy: 0.7775870685821429
Energy: 1.3307686470276823
Energy: 0.7775870685815246
Energy: 1.806255070553012
Energy: 0.7772057692863654
Energy: 1.6556924969829987
Energy: 0.7772057694594341
Energy: 1.8103929847020628
Energy: 0.921366252580278
Energy: 1.9535134936648189
Energy: 0.921366252580278
Energy: 1.6557938502851857
Energy: 0.9209042902991776
Energy: 1.6518617389090118
Energy: 0.920904290305979
Energy: 1.5059335478809184
Energy: 0.7775731543884129
Energy: 1.9540356554650116
Energy: 0.7775731543890313
Energy: 1.654112603835721
Energy: 0.777781846169122
Energy: 1.9538934250465763
Energy: 0.7777818461208943
Energy: 1.3427503956577544
Energy: 0.7805657427267421
Energy: 1.6484993375581047
Energy: 0.7805657427267421
Energy: 1.1536665810783475
Energy: 0.7759234680903528
Energy: 2.239003616654577
Energy: 0.7759234680884981
Energy: 1.346952834484856
Energy: 0.7809628068239597
Energy: 1.954992741628931
Energy: 0.7809628068233415
Energy: 0.9817077104772318
Energy: 0.77643012793934
Energy: 1.948905493808691
Energy: 0.77643012793934
Energy: 0.966498063669
Energy: 0.7759907966611561
Energy: 2.379057714066081
Energy: 0.7759907966611561
Energy: 0.9777091066222917
Energy: 0.7763852349945514
Energy: 2.234180505937403
Energy: 0.7763852349945514
Energy: 0.7774215387086704
Energy: 0.776094707327417
Energy: 2.2340817227986802
Energy: 0.776094707327417
Energy: 0.777557146587234
Energy: 0.7764883570192463
Energy: 2.3813788851336026
Energy: 0.7764883570192463
Energy: 0.7763641080753532
Energy: 0.7766615735828076
Energy: 2.0941831516374547
Energy: 0.7766615735828076
Energy: 0.984766556406928
Energy: 0.7766954012951877
Energy: 2.3713122422850836
Energy: 0.7766954012945694
Energy: 0.9700317020029736
Energy: 0.77609685948012
Energy: 2.3835116976153956
Energy: 0.77609685948012
Energy: 0.9785089915336597
Energy: 0.7794393504321683
Energy: 1.7998192419631898
Energy: 0.779439350433405
Energy: 1.3437799610134287
Energy: 0.7770452926526903
Energy: 2.3754399450682477
Energy: 0.7770452926526903
Energy: 1.3369861248663535
Energy: 0.7759850437722815
Energy: 2.1009198058066376
Energy: 0.7759850437716632
Energy: 1.5254907428873572
Energy: 0.781571735926332
Energy: 1.8030154917139012
Energy: 0.781571735926332
Energy: 1.655314489245077
Energy: 0.7758810191624811
Energy: 2.107972802881348
Energy: 0.7758810191630996
Energy: 1.6561801854152063
Energy: 0.7772972961378849
Energy: 1.806243604899539
Energy: 0.7772972961261371
Energy: 1.9575455397606147
Energy: 0.9221035687736009
Energy: 1.4964347893544088
Energy: 0.9221035687736009
Energy: 1.6523745644334469
Energy: 0.9208847906245693
Energy: 1.8202904905275838
Energy: 0.9208847906276608
Energy: 1.9562547106622208
Energy: 0.7776549309533042
Energy: 1.5009594800626858
Energy: 0.7776549309718533
Energy: 2.111055152134146
Energy: 0.7779422895824983
Energy: 1.5026523236067602
Energy: 0.7779422895831168
Energy: 1.6486960665631438
Energy: 0.7774116234799812
Energy: 1.3430187861587288
Energy: 0.7774116234793629
Energy: 2.242506468560087
Energy: 0.7760770211410293
Energy: 1.3361261361272239
Energy: 0.7760770211410293
Energy: 2.2403027778223117
Energy: 0.7776181648304406
Energy: 1.3432768232137835
Energy: 0.7776181648304406
Energy: 1.9491651578363658
Energy: 0.7761435350537385
Energy: 0.9839207276454883
Energy: 0.7761435350537385
Energy: 2.383818437563529
Energy: 0.7757822049035279
Energy: 0.9686498870639337
Energy: 0.7757822049035279
Energy: 2.2337400657593656
Energy: 0.7764896979945952
Energy: 0.98112037058536
Energy: 0.7764896979945952
Energy: 1.9463853065495527
Energy: 0.7769784762351564
Energy: 0.7765825017788165
Energy: 0.7769784762357747
Energy: 2.3795195484985845
Energy: 0.7763662097116144
Energy: 0.7768664056750088
Energy: 0.7763662097116144
Energy: 2.09379753987888
Energy: 0.7772107914257462
Energy: 0.776715084463859
Energy: 0.7772107914251281

minimum gb energy = 0.7754880145971862 eV
minimum distance =  2.23798913044436 Angstroms
sigma value = 113


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

Energy: 0.020779612927320393
Energy: 0.021750555862562554
Energy: 1.8059380797760327
Energy: 0.7215877057967689
Energy: 0.021889226524794594
Energy: 0.18818956973795756
Energy: 1.2630149006934883
Energy: 0.18818956973795756
Energy: 0.021690629388514373
Energy: 0.18547523399990343
Energy: 1.260900010387274
Energy: 0.18547523399990343
Energy: 0.023450876283990656
Energy: 0.18794787602551724
Energy: 1.2599806248505838
Energy: 0.18794787602551724
Energy: 1.2626963274436371
Energy: 0.18797880986439347
Energy: 1.2627451021677127
Energy: 0.18797880986439347
Energy: 0.02149389020971348
Energy: 0.18518315809347552
Energy: 1.2605492114216392
Energy: 0.18518315809300015

minimum gb energy = 0.020779612927320393 eV
minimum distance =  2.43679569782102 Angstroms
sigma value = 1