Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Ni__MO_700541006254_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=3.5213917642831802
cohesive_energy=4.450350014520368
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.018145591513867042
Energy: 0.018560400851673885
Energy: 1.2362852006282494
Energy: 0.018560400851673885
Energy: 0.018560400851673885
Energy: 0.9033508046337464
Energy: 0.018560400851673885
Energy: 0.9033508046337464
Energy: 1.2362852006308567
Energy: 0.018560400851673885
Energy: 0.018145591513867042
Energy: 0.018560400851673885
Energy: 0.018560400851673885
Energy: 0.9033508046337464
Energy: 0.018560400851673885
Energy: 0.9033508046337464

minimum gb energy = 0.018145591513867042 eV
minimum distance =  2.42362670727147 Angstroms
sigma value = 1


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

Energy: 1.3953645119503593
Energy: 1.421924550138522
Energy: 1.3584107888848074
Energy: 1.421924550138522
Energy: 1.3242116205667092
Energy: 1.3730416194682542
Energy: 1.330515863420807
Energy: 1.373041619469056
Energy: 1.2845432831070651
Energy: 1.405482170063682
Energy: 1.3383832464375225
Energy: 1.405482170063682
Energy: 1.313289286433283
Energy: 1.3031507706933134
Energy: 1.2794776028317187
Energy: 1.3031507706933134
Energy: 1.316911633082469
Energy: 1.423509869936695
Energy: 1.3305828376319553
Energy: 1.423509869936695
Energy: 1.2733721407175527
Energy: 1.4921728270588754
Energy: 1.2342866087190134
Energy: 1.4921728270564703
Energy: 1.3255820268027876
Energy: 1.371844394108791
Energy: 1.2743369858055473
Energy: 1.371844394108791
Energy: 1.2368527059208776
Energy: 1.4290079127156234
Energy: 1.2297156856704214
Energy: 1.4290079127156234
Energy: 1.2800517289791726
Energy: 1.549781814571545
Energy: 1.435984766939822
Energy: 1.549781814571545
Energy: 1.2364438488772107
Energy: 1.4049860821704112
Energy: 1.232720997204067
Energy: 1.4049860821704112
Energy: 1.4534689037301307
Energy: 1.3837454268832066
Energy: 1.2802083649561442
Energy: 1.3837454268832066
Energy: 1.3560388643398529
Energy: 1.4282435404326717
Energy: 1.2538204540235869
Energy: 1.4282435404318699
Energy: 1.3282738125021851
Energy: 1.3704613383264788
Energy: 1.3640741294785177
Energy: 1.370461338325677
Energy: 1.3371753065986052
Energy: 1.391251792001644
Energy: 1.2668501761997262
Energy: 1.391251792001644
Energy: 1.3097435355560803
Energy: 1.4214925115368127
Energy: 1.323368607114345
Energy: 1.4214925115368127
Energy: 1.3079322205585115
Energy: 1.393529052763456
Energy: 1.3233198624205544
Energy: 1.393529052763456
Energy: 1.3381172468563893
Energy: 1.4056497787946611
Energy: 1.2579845059935404
Energy: 1.4056497787954627
Energy: 1.3305396484557497
Energy: 1.3706551828897962
Energy: 1.4595196236541297
Energy: 1.3706551828913995
Energy: 1.2335099132127778
Energy: 1.4261154844003239
Energy: 1.253082347701955
Energy: 1.4261154843995223
Energy: 1.4496372450880817
Energy: 1.8063238298555058
Energy: 1.283059213450878
Energy: 1.8063238298571092
Energy: 1.2406877976221622
Energy: 1.4058371291949092
Energy: 1.2302430331252927
Energy: 1.4058371291941074
Energy: 1.2804968573870077
Energy: 1.5017727606473925
Energy: 1.4283787324106954
Energy: 1.5017727606481943
Energy: 1.3833931863050577
Energy: 1.4234960166352746
Energy: 1.261344832219028
Energy: 1.4234960166360764
Energy: 1.3638819002549216
Energy: 1.4033394890253557
Energy: 1.2733548760947113
Energy: 1.4033394890253557
Energy: 1.2744727171707317
Energy: 1.4962101108014711
Energy: 1.4452674694095682
Energy: 1.4962101108006696
Energy: 1.3262761390500113
Energy: 1.4285292223274861
Energy: 1.2903011246155578
Energy: 1.4285292223274861
Energy: 1.3122459142756273
Energy: 1.5449098194336186
Energy: 1.279781549529133
Energy: 1.5449098194336186
Energy: 1.4324430793119474
Energy: 1.4021342256816547
Energy: 1.367811985283941
Energy: 1.4021342256816547
Energy: 1.3233373331109595
Energy: 1.3709934204512486
Energy: 1.3240890454348038
Energy: 1.3709934204520504
Energy: 1.393173922546152
Energy: 1.4238083160280144
Energy: 1.3524967619958057
Energy: 1.4238083160280144
Energy: 1.3282876684654727
Energy: 1.3703767710453656
Energy: 1.3281851124302244
Energy: 1.3703767710453656
Energy: 1.2888922606065645
Energy: 1.4035437919912799
Energy: 1.3368072860016635
Energy: 1.403543791990478
Energy: 1.3169254637936216
Energy: 1.303618695949493
Energy: 1.2794340017057153
Energy: 1.303618695949493

minimum gb energy = 1.2297156856704214 eV
minimum distance =  2.25922111399546 Angstroms
sigma value = 1


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

Energy: 1.4607940052101953
Energy: 1.462335397079238
Energy: 1.419662452080466
Energy: 1.4623353970764958
Energy: 1.3555778048665337
Energy: 1.4400505526745138
Energy: 1.3708353342689845
Energy: 1.4400505526735996
Energy: 1.3396393877654706
Energy: 1.453949048199066
Energy: 1.375444380079375
Energy: 1.4539490482008939
Energy: 1.3090302709862904
Energy: 1.3247383395118475
Energy: 1.3195635524299645
Energy: 1.3247383395118475
Energy: 1.3105135960863563
Energy: 1.4303054090065563
Energy: 1.4773963953307132
Energy: 1.4303054090065563
Energy: 1.4314983614290036
Energy: 1.4306678783184548
Energy: 1.373659838681941
Energy: 1.4306678783175408
Energy: 1.4405234815989718
Energy: 1.5570885686093372
Energy: 1.3115338412264756
Energy: 1.5570885686093372
Energy: 1.2773649768475808
Energy: 1.453801937067734
Energy: 1.2846711692752515
Energy: 1.4538019370649922
Energy: 1.3116959972322202
Energy: 1.8732067753912085
Energy: 1.520358871811737
Energy: 1.8732067753930368
Energy: 1.2906900365809681
Energy: 1.4534902027952625
Energy: 1.413057349828513
Energy: 1.4534902027943484
Energy: 1.3568972001456365
Energy: 1.3875278491772254
Energy: 1.3793001963455835
Energy: 1.3875278491781393
Energy: 1.295184705488888
Energy: 1.4701974526848736
Energy: 1.375199005403468
Energy: 1.4701974526839594
Energy: 1.3958275807624347
Energy: 1.4458315087183913
Energy: 1.3595154853833162
Energy: 1.4458315087183913
Energy: 1.395768222670527
Energy: 1.445857188264992
Energy: 1.3443521880835203
Energy: 1.4458571882659061
Energy: 1.295260185443699
Energy: 1.462481983631352
Energy: 1.404445870710998
Energy: 1.4624819836304381
Energy: 1.3567866478541681
Energy: 1.3874387060566646
Energy: 1.37056342769259
Energy: 1.387438706060321
Energy: 1.2905204285898546
Energy: 1.453599035929097
Energy: 1.2850407941928712
Energy: 1.4535990359282245
Energy: 1.3116935482139807
Energy: 1.8673012778707136
Energy: 1.5204373566566132
Energy: 1.8673012778725417
Energy: 1.2773652638416353
Energy: 1.4538436161100925
Energy: 1.2845419819853434
Energy: 1.4538436161110064
Energy: 1.4407493601400112
Energy: 1.557277328922995
Energy: 1.3194732545386174
Energy: 1.5572773289248227
Energy: 1.4305335329070996
Energy: 1.4308381252554263
Energy: 1.2848465865963388
Energy: 1.430838125253598
Energy: 1.3106428813523514
Energy: 1.4303164660518266
Energy: 1.3599300182046263
Energy: 1.4303164660509124
Energy: 1.3108514978767452
Energy: 1.3247533401969784
Energy: 1.31147913513202
Energy: 1.3247533401960643
Energy: 1.3392953210926497
Energy: 1.45412519963104
Energy: 1.4064969153832918
Energy: 1.454125199630126
Energy: 1.3558667584344597
Energy: 1.4397864216188028
Energy: 1.3705960414928808
Energy: 1.4397864216197167
Energy: 1.4607940052101953
Energy: 1.462335397079238
Energy: 1.4230002243597197
Energy: 1.462335397081066
Energy: 1.3555778048665337
Energy: 1.4400505526745138
Energy: 1.3708353342680706
Energy: 1.4400505526735996
Energy: 1.3396393877654706
Energy: 1.453949048199066
Energy: 1.3379626928869395
Energy: 1.4539490482008939
Energy: 1.3090302709872044
Energy: 1.3247383395118475
Energy: 1.3150295725070098
Energy: 1.3247383395118475

minimum gb energy = 1.2773649768475808 eV
minimum distance =  2.23358660941255 Angstroms
sigma value = 25


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

Energy: 1.4023920164785415
Energy: 1.5446496241312218
Energy: 1.5071193445383968
Energy: 1.5446496241312218
Energy: 1.426017882259289
Energy: 1.4761497805070378
Energy: 1.368045297000263
Energy: 1.4761497805070378
Energy: 1.3962895668816313
Energy: 1.5950894437846443
Energy: 1.3558050855807404
Energy: 1.5950894437846443
Energy: 1.3660518000771822
Energy: 1.3773979693468015
Energy: 1.3527227649933928
Energy: 1.3773979693478637
Energy: 1.35375806999994
Energy: 1.4717940880768547
Energy: 1.5282403589547588
Energy: 1.4717940880768547
Energy: 1.500889059286635
Energy: 1.5039656955127272
Energy: 1.5338760571027257
Energy: 1.5039656955159149
Energy: 1.5328643479941961
Energy: 1.6249819662441713
Energy: 1.3874232514765894
Energy: 1.6249819662441713
Energy: 1.626515882686066
Energy: 1.5495565652990893
Energy: 1.3379031722645969
Energy: 1.5495565652990893
Energy: 1.3878252357103256
Energy: 1.5295692797217877
Energy: 1.4321418450259735
Energy: 1.5295692797217877
Energy: 1.3621758870891765
Energy: 1.5047858878475329
Energy: 1.344732883848441
Energy: 1.5047858878475329
Energy: 1.4206475575214952
Energy: 1.4585793922808181
Energy: 1.4238088360582777
Energy: 1.4585793922808181
Energy: 1.4132809667042454
Energy: 1.5475273055180303
Energy: 1.364916703749511
Energy: 1.5475273055180303
Energy: 1.3557893425151546
Energy: 1.4681962654990146
Energy: 1.3450207049224256
Energy: 1.4681962654990146
Energy: 1.3884954420792293
Energy: 1.3560783940273016
Energy: 1.4322900393874562
Energy: 1.356078394028364
Energy: 1.3423884448615293
Energy: 1.5522977798095745
Energy: 1.3345708444126334
Energy: 1.5522977798095745
Energy: 1.4320843502034126
Energy: 1.3757691953053461
Energy: 1.353681695504104
Energy: 1.3757691953064088
Energy: 1.3223015027595704
Energy: 1.59298176692636
Energy: 1.3221985155112685
Energy: 1.59298176692636
Energy: 1.3539588391104356
Energy: 1.4876187219073613
Energy: 1.5289048545331179
Energy: 1.4876187219073613
Energy: 1.336064432671381
Energy: 1.3784517063093258
Energy: 1.3539901683063815
Energy: 1.3784517063093258
Energy: 1.4310213984524838
Energy: 1.503385382352182
Energy: 1.3709197279385392
Energy: 1.503385382352182
Energy: 1.379902059416167
Energy: 1.4389775549570993
Energy: 1.3714046434149936
Energy: 1.4389775549570993
Energy: 1.3999129172254723
Energy: 1.5453090523517465
Energy: 1.5030002667190372
Energy: 1.5453090523517465
Energy: 1.4246002519390795
Energy: 1.4736107097313278
Energy: 1.3684874725803646
Energy: 1.4736107097302653
Energy: 1.3971807872912472
Energy: 1.593239593124377
Energy: 1.3623528004383865
Energy: 1.593239593124377
Energy: 1.5984252536285735
Energy: 1.379943677528033
Energy: 1.3536360517434396
Energy: 1.379943677528033

minimum gb energy = 1.3221985155112685 eV
minimum distance =  2.24547989224963 Angstroms
sigma value = 9


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

Energy: 1.435189408363542
Energy: 1.4351549239525694
Energy: 1.5851574362123613
Energy: 1.4351549239525694
Energy: 1.4147999328066045
Energy: 1.5367536883708177
Energy: 1.4298795753119684
Energy: 1.5367536883708177
Energy: 1.451026550204461
Energy: 1.4541014516062096
Energy: 1.4322432472667757
Energy: 1.4541014516062096
Energy: 1.6359849422553738
Energy: 1.5838406368411548
Energy: 1.3841272300703624
Energy: 1.5838406368411548
Energy: 1.5764857332710867
Energy: 1.5249614987006073
Energy: 1.6264413215878981
Energy: 1.5249614987006073
Energy: 1.3585225071948155
Energy: 1.418679414380306
Energy: 1.7378259079199871
Energy: 1.418679414380306
Energy: 1.4381834248883696
Energy: 1.3844644173574128
Energy: 1.3846908573412449
Energy: 1.3844644173586806
Energy: 1.5432793534421358
Energy: 1.418790946359151
Energy: 1.3801819119221745
Energy: 1.418790946359151
Energy: 1.438055824138286
Energy: 1.5366933366299471
Energy: 1.428504924346925
Energy: 1.5366933366299471
Energy: 1.4352294992803067
Energy: 1.4347353888878773
Energy: 1.482506379636137
Energy: 1.434735388889145
Energy: 1.3792387524946965
Energy: 1.5436363791950727
Energy: 1.4297309837090706
Energy: 1.5436363791950727
Energy: 1.53313726481945
Energy: 1.60048632537597
Energy: 1.3841524487134362
Energy: 1.60048632537597
Energy: 1.3570174758538849
Energy: 1.480656484581781
Energy: 1.3891031168786172
Energy: 1.4806564845805135
Energy: 1.454568575339556
Energy: 1.4201813304550726
Energy: 1.4842356373409473
Energy: 1.4201813304538053
Energy: 1.357025811926307
Energy: 1.4805095980959975
Energy: 1.4662703639983532
Energy: 1.4805095980959975
Energy: 1.533003826987903
Energy: 1.600550251898655
Energy: 1.384061229721052
Energy: 1.600550251898655
Energy: 1.379254734196018
Energy: 1.5435435183807744
Energy: 1.4002088756481028
Energy: 1.5435435183782396
Energy: 1.435286598079818
Energy: 1.4352041030347913
Energy: 1.4825524694351817
Energy: 1.4352041030335236
Energy: 1.403349065567973
Energy: 1.536788512756417
Energy: 1.4908587079019495
Energy: 1.536788512756417
Energy: 1.5433642015005362
Energy: 1.418745048104273
Energy: 1.380184352755469
Energy: 1.4187450481030053
Energy: 1.4381025085144106
Energy: 1.3843337914454663
Energy: 1.38470171593226
Energy: 1.3843337914467342

minimum gb energy = 1.3570174758538849 eV
minimum distance =  2.31425563618529 Angstroms
sigma value = 25


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

Energy: 1.4098277206640215
Energy: 1.5672734681101679
Energy: 1.7008160432821087
Energy: 1.5672734681101679
Energy: 1.3822927684652422
Energy: 1.5843123918453264
Energy: 1.3729845556573472
Energy: 1.5843123918453264
Energy: 1.512164886603014
Energy: 1.603702721516108
Energy: 1.3721107176814038
Energy: 1.6037027215176756
Energy: 1.560652032284678
Energy: 1.596536634835127
Energy: 1.6032544801266277
Energy: 1.596536634835127
Energy: 1.6003641127636328
Energy: 1.3846204254864278
Energy: 1.4584027215064965
Energy: 1.3846204254864278
Energy: 1.3738580125935007
Energy: 1.5869034125215382
Energy: 1.844414610840279
Energy: 1.5869034125215382
Energy: 1.4528701462989122
Energy: 1.5318713440874137
Energy: 1.5136946546745054
Energy: 1.531871344085846
Energy: 1.588579812182783
Energy: 1.6097623946197666
Energy: 1.4088180755529085
Energy: 1.6097623946181987
Energy: 1.3711020590481962
Energy: 1.4865869981050888
Energy: 1.384614027202848
Energy: 1.4865869981050888
Energy: 1.6330734497733734
Energy: 1.5592682206819444
Energy: 1.5119404127466418
Energy: 1.5592682206819444
Energy: 1.4464779493956181
Energy: 1.5684619302898148
Energy: 1.8132791832422892
Energy: 1.5684619302898148
Energy: 1.373641916701445
Energy: 1.4776365886636038
Energy: 1.6332577248415654
Energy: 1.4776365886636038
Energy: 1.6007465127778377
Energy: 1.6028590600884636
Energy: 1.3671621975152675
Energy: 1.6028590600884636
Energy: 1.37435474606922
Energy: 1.5696060291545557
Energy: 1.5606497415680232
Energy: 1.5696060291545557
Energy: 1.4190360197226788
Energy: 1.5701662668634127
Energy: 1.728433670375567
Energy: 1.5701662668634127
Energy: 1.3848304928924842
Energy: 1.5216936130235992
Energy: 1.3735792406581098
Energy: 1.5216936130235992
Energy: 1.5145174245034732
Energy: 1.5021803796943674
Energy: 1.6316892327710377
Energy: 1.5021803796943674

minimum gb energy = 1.3671621975152675 eV
minimum distance =  2.30445933279741 Angstroms
sigma value = 17


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

Energy: 1.4728837311884733
Energy: 1.4752943628603592
Energy: 1.791773678463779
Energy: 1.4752943628621347
Energy: 1.570221693912106
Energy: 1.5341086071316103
Energy: 1.3858493310887898
Energy: 1.5341086071316103
Energy: 1.726504743714219
Energy: 1.462114632405399
Energy: 1.3853022980592709
Energy: 1.462114632405399
Energy: 1.48398223327689
Energy: 1.4745103576534668
Energy: 1.5183399939037863
Energy: 1.4745103576694467
Energy: 1.650307221187598
Energy: 1.464668216951085
Energy: 1.4351979644345736
Energy: 1.4646682169519725
Energy: 1.400981347762017
Energy: 1.4951249599055416
Energy: 1.8491110579245031
Energy: 1.4951249599046537
Energy: 1.4730176959308066
Energy: 1.5255567777448704
Energy: 1.3854471997807223
Energy: 1.5255567777439825
Energy: 1.7258587531428986
Energy: 1.497018473476619
Energy: 1.3985125542123902
Energy: 1.497018473476619
Energy: 1.4025138459199686
Energy: 1.606605782186602
Energy: 1.6478363661389848
Energy: 1.606605782186602
Energy: 1.7782350475533475
Energy: 1.4668943048827554
Energy: 1.3862796111685871
Energy: 1.4668943048827554
Energy: 1.3889171579491595
Energy: 1.54102440358812
Energy: 1.8988897138824983
Energy: 1.541024403587232
Energy: 1.3970876312726788
Energy: 1.5259822221685633
Energy: 1.3992092638660327
Energy: 1.5259822221685633
Energy: 1.8513184531308295
Energy: 1.4739473800585676
Energy: 1.4791691458859761
Energy: 1.4739473800594554
Energy: 1.3857941155865312
Energy: 1.6276945204057625
Energy: 1.5718902082768298
Energy: 1.6276945204066504
Energy: 1.5277606741301146
Energy: 1.526627982528774
Energy: 1.490833970614521
Energy: 1.5266279825296618
Energy: 1.618873292528403
Energy: 1.4950043113149718
Energy: 1.6210059425226078
Energy: 1.4950043113149718
Energy: 1.3857495083590503
Energy: 1.5776395535440282
Energy: 1.7271512759619099
Energy: 1.5776395535440282
Energy: 1.6727024432427877
Energy: 1.463804569425785
Energy: 1.4008490528496687
Energy: 1.463804569425785
Energy: 1.4529887804766517
Energy: 1.5587805598743296
Energy: 1.4604227885907841
Energy: 1.5587805598752174
Energy: 1.3851412397003806
Energy: 1.474110153503386
Energy: 1.4777976998459919
Energy: 1.4741101535024983
Energy: 1.5018078631915979
Energy: 1.4852001617534287
Energy: 1.616089862120125
Energy: 1.485200161752541
Energy: 1.3874901950499694
Energy: 1.694965906014008
Energy: 1.7768703749937813
Energy: 1.694965906014008
Energy: 1.6460274623192146
Energy: 1.5383487104018803
Energy: 1.3842850015487231
Energy: 1.5383487104018803
Energy: 1.3977867680355753
Energy: 1.5693419231160206
Energy: 1.688923154439044
Energy: 1.5693419231160206
Energy: 1.4642287500094673
Energy: 1.4853173706230112
Energy: 1.6918485382312873
Energy: 1.485317370623899
Energy: 1.6456838189630463
Energy: 1.5016699649132559
Energy: 1.3858895152576782
Energy: 1.5016699649132559
Energy: 1.4190274445582736
Energy: 1.6897593152798789
Energy: 1.810611951378057
Energy: 1.689759315278991
Energy: 1.5622921515491872
Energy: 1.4946410400828989
Energy: 1.6174072237726693
Energy: 1.4946410400820112
Energy: 1.6728094580978836
Energy: 1.6480625418811086
Energy: 1.4754773335334879
Energy: 1.6480625418819963
Energy: 1.3982706454915286
Energy: 1.5589422949739729
Energy: 1.6720772016282497
Energy: 1.5589422949748604

minimum gb energy = 1.3842850015487231 eV
minimum distance =  2.19758837022399 Angstroms
sigma value = 53


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

Energy: 1.2737538223001073
Energy: 1.2733067607928912
Energy: 1.8060985221656185
Energy: 1.2733067607928912
Energy: 1.604571555384634
Energy: 1.4312890873385098
Energy: 1.2998186016927413
Energy: 1.4312890873385098
Energy: 1.2742952495104247
Energy: 1.273032196656408
Energy: 1.4570930624176919
Energy: 1.2730321966584521
Energy: 1.2744035934827194
Energy: 1.2729739054175633
Energy: 1.4629286348422113
Energy: 1.2729739054155194
Energy: 1.6045769820251734
Energy: 1.431371136181831
Energy: 1.299909776856233
Energy: 1.431371136181831
Energy: 1.2737538223001073
Energy: 1.2733067607928912
Energy: 1.860953644579761
Energy: 1.2733067607928912
Energy: 1.604571555384634
Energy: 1.4312890873385098
Energy: 1.4621066033540715
Energy: 1.4312890873385098
Energy: 1.2742952495104247
Energy: 1.273032196656408
Energy: 1.586976229122164
Energy: 1.2730321966584521
Energy: 1.2744035934806754
Energy: 1.2729739054175633
Energy: 1.5219811918905728
Energy: 1.2729739054175633
Energy: 1.6045769820251734
Energy: 1.431371136181831
Energy: 1.5180011275097616
Energy: 1.431371136181831
Energy: 1.2737538223001073
Energy: 1.2733067607928912
Energy: 1.860953644579761
Energy: 1.2733067607928912
Energy: 1.604571555384634
Energy: 1.4312890873385098
Energy: 1.5213917438634423
Energy: 1.4312890873385098
Energy: 1.2742952495104247
Energy: 1.273032196656408
Energy: 1.586976229122164
Energy: 1.2730321966584521

minimum gb energy = 1.2729739054155194 eV
minimum distance =  2.28515646884015 Angstroms
sigma value = 9


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

Energy: 1.400696744275355
Energy: 1.7431711550564262
Energy: 1.9247632044754286
Energy: 1.7431711550564262
Energy: 1.7549140323412298
Energy: 1.4985966646253706
Energy: 1.4518684592562587
Energy: 1.4985966646268833
Energy: 1.4591643534677528
Energy: 1.3796775546921516
Energy: 1.418058648176447
Energy: 1.3796775546921516
Energy: 1.6372111981896043
Energy: 1.6923443503600701
Energy: 1.4516024930045082
Energy: 1.6923443503600701
Energy: 1.682388481991628
Energy: 1.4700377217337708
Energy: 1.4175818538430174
Energy: 1.4700377217345273
Energy: 1.3804655656176914
Energy: 1.3779674601768472
Energy: 1.9338653249358684
Energy: 1.3779674601776037
Energy: 1.9535629096936222
Energy: 1.463562926492788
Energy: 1.4520291775490857
Energy: 1.463562926492788
Energy: 1.4622071747374983
Energy: 1.6650941865672675
Energy: 1.6648888510621724
Energy: 1.6650941865665112
Energy: 1.4574745620869676
Energy: 1.6910786593189597
Energy: 1.377976724702844
Energy: 1.6910786593189597
Energy: 1.4159771568821298
Energy: 1.4977521547029455
Energy: 1.3784687026151596
Energy: 1.4977521547037018
Energy: 1.471013127196123
Energy: 1.6939798681443556
Energy: 1.9478856612391287
Energy: 1.6939798681458687
Energy: 1.67531197076854
Energy: 1.7442607275168762
Energy: 1.4427940613536696
Energy: 1.744260727514607
Energy: 1.4673426902357136
Energy: 1.5919875248323625
Energy: 1.780674997040791
Energy: 1.591987524831606
Energy: 1.63942554301151
Energy: 1.6868644086921711
Energy: 1.4073755827929286
Energy: 1.6868644086944404
Energy: 1.4480430538775424
Energy: 1.4809504701214886
Energy: 1.6095293634607455
Energy: 1.4809504701230016
Energy: 1.4684714354017794
Energy: 1.6643018867837485
Energy: 1.6666654219281052
Energy: 1.6643018867837485
Energy: 1.568884769516867
Energy: 1.4280553508493008
Energy: 1.447807995754673
Energy: 1.4280553508538394
Energy: 1.470588535122897
Energy: 1.4640475023105435
Energy: 1.6707345852535023
Energy: 1.4640475023105435
Energy: 1.7088734117734514
Energy: 1.479888771357555
Energy: 1.3846642567822802
Energy: 1.4798887713590678
Energy: 1.4418480900496806
Energy: 1.5176246291558542
Energy: 1.6415838101300755
Energy: 1.5176246291558542
Energy: 1.6581578765968306
Energy: 1.6572661270322426
Energy: 1.6582264606182937
Energy: 1.6572661270329991
Energy: 1.580702180812487
Energy: 1.5793634871238573
Energy: 1.4476902728950591
Energy: 1.5793634871238573
Energy: 1.3780295958979467
Energy: 1.4801564176280957
Energy: 1.449270268804473
Energy: 1.4801564176296085
Energy: 1.9213211813318332
Energy: 1.512571451916075
Energy: 1.4635075775223836
Energy: 1.512571451917588
Energy: 1.4526223019147917
Energy: 1.7540524658968981
Energy: 1.876263460424379
Energy: 1.7540524658968981
Energy: 1.5837029321587506
Energy: 1.4928767008576904
Energy: 1.470422611631783
Energy: 1.492876700856934
Energy: 1.4788270768037153
Energy: 1.5074222607420054
Energy: 1.660673739316481
Energy: 1.5074222607420054
Energy: 1.3965949462938878
Energy: 1.6888640298260462
Energy: 1.6367144425956408
Energy: 1.6888640298260462
Energy: 1.5449088070186439
Energy: 1.4926795404686344
Energy: 1.464799682550626
Energy: 1.4926795404701472
Energy: 1.4552419083968338
Energy: 1.7553472790133682
Energy: 1.877928510840355
Energy: 1.7553472790133682
Energy: 1.7741079684185932
Energy: 1.725825302557736
Energy: 1.4699868858246468
Energy: 1.7258253025584924
Energy: 1.3789316546933454
Energy: 1.4669374721847535
Energy: 1.4625722663083827
Energy: 1.466937472183997
Energy: 1.4268540461418944
Energy: 1.5649371484183632
Energy: 1.4616804270558175
Energy: 1.5649371484176067
Energy: 1.6608094619345386
Energy: 1.6598772831920234
Energy: 1.661779039290998
Energy: 1.65987728319278
Energy: 1.4443905588890273
Energy: 1.6619732038012596
Energy: 1.965238606995469
Energy: 1.661973203800572

minimum gb energy = 1.3779674601768472 eV
minimum distance =  2.21956847537894 Angstroms
sigma value = 73


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

Energy: 1.4627280416526849
Energy: 1.4636136833507063
Energy: 1.8649064513500895
Energy: 1.4636136833507063
Energy: 1.5022591913229757
Energy: 1.516918472925855
Energy: 1.4424883455281232
Energy: 1.516918472925855
Energy: 1.4497982188615446
Energy: 1.4641771127460137
Energy: 1.416444885466347
Energy: 1.4641771127460137
Energy: 1.4598638217380173
Energy: 1.590277078845263
Energy: 1.5000799224174635
Energy: 1.590277078845263
Energy: 1.4809990871120042
Energy: 1.5294363971772362
Energy: 1.3990186535756484
Energy: 1.5294363971760359
Energy: 1.4497679410275475
Energy: 1.410276340233196
Energy: 1.873997344428685
Energy: 1.410276340233196
Energy: 1.9534467348238547
Energy: 1.623486947147404
Energy: 1.4817165276683548
Energy: 1.623486947147404
Energy: 1.431309695279822
Energy: 1.3678476502454295
Energy: 1.7396235156121103
Energy: 1.3678476502454295
Energy: 1.9656654419118975
Energy: 1.3687549028802575
Energy: 1.3685326522997792
Energy: 1.3687549028814576
Energy: 1.4416513049143687
Energy: 1.5614139046493192
Energy: 1.3679537836401932
Energy: 1.5614139046505195
Energy: 1.4346233075893342
Energy: 1.4640790491598492
Energy: 1.818855073722755
Energy: 1.4640790491598492
Energy: 1.6254160115258607
Energy: 1.417133984825219
Energy: 1.4587435599214011
Energy: 1.4171339848240185
Energy: 1.4499712908486595
Energy: 1.4884501803072496
Energy: 1.8398570938538656
Energy: 1.4884501803048493
Energy: 1.8466727345445055
Energy: 1.5851343165127518
Energy: 1.4987409326758518
Energy: 1.5851343165127518
Energy: 1.4364953806899121
Energy: 1.6603424517234144
Energy: 1.7730304523429834
Energy: 1.6603424517234144
Energy: 1.7451727783735873
Energy: 1.549669629781544
Energy: 1.4321407814028333
Energy: 1.549669629781544
Energy: 1.4615447890194437
Energy: 1.4619367930000053
Energy: 1.4500900460710515
Energy: 1.4619367930000053
Energy: 1.4618671602718778
Energy: 1.462013588801277
Energy: 1.4816153520720683
Energy: 1.462013588801277
Energy: 1.5654512289662232
Energy: 1.463582539391727
Energy: 1.4459795055666773
Energy: 1.4635825393905268
Energy: 1.4723067214804735
Energy: 1.5301967715539517
Energy: 1.9174457268313578
Energy: 1.5301967715551519
Energy: 1.8549603300789295
Energy: 1.4625069702308793
Energy: 1.451744264257596
Energy: 1.4625069702308793
Energy: 1.5002874848065009
Energy: 1.5230781583513586
Energy: 1.6062767923472556
Energy: 1.5230781583513586

minimum gb energy = 1.3678476502454295 eV
minimum distance =  2.23235392413368 Angstroms
sigma value = 7


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

Energy: 1.3846359220859883
Energy: 1.3854463298991821
Energy: 1.8979031671476487
Energy: 1.385446329902577
Energy: 1.780059607191321
Energy: 1.456843755676526
Energy: 1.4757488384005166
Energy: 1.4568437556756773
Energy: 1.404978968725906
Energy: 1.6045402748112156
Energy: 1.3948055668119668
Energy: 1.6045402748095179
Energy: 1.3869583225177446
Energy: 1.492573838460735
Energy: 1.4344270419330496
Energy: 1.4925738384598863
Energy: 1.395556028845769
Energy: 1.493903422776693
Energy: 1.3889255331425572
Energy: 1.493903422779239
Energy: 1.4301360288771305
Energy: 1.5167110139234135
Energy: 1.9005160304473068
Energy: 1.5167110139217161
Energy: 1.5925312949219057
Energy: 1.6181584816275671
Energy: 1.5077966148176958
Energy: 1.6181584816275671
Energy: 1.429704942626815
Energy: 1.5179981787249557
Energy: 2.0028713654566466
Energy: 1.517998178726653
Energy: 1.562881772687231
Energy: 1.4745862459840973
Energy: 1.4352252961823828
Energy: 1.4745862459857944
Energy: 1.4290800053729773
Energy: 1.4952772379409054
Energy: 1.513108360555236
Energy: 1.4952772379375106
Energy: 1.472782552876702
Energy: 1.4197025483573469
Energy: 1.4725682085568779
Energy: 1.4197025483581955
Energy: 1.3854824340879817
Energy: 1.4931903213064446
Energy: 1.4592291973368132
Energy: 1.4931903213098394
Energy: 1.3854968478822565
Energy: 1.3865240575000992
Energy: 1.458750069844282
Energy: 1.3865240574984021
Energy: 1.3938641158800973
Energy: 1.3757209918415996
Energy: 1.4393856157913887
Energy: 1.3757209918407507
Energy: 1.4288510688913751
Energy: 1.6680669157688341
Energy: 1.7790669523477844
Energy: 1.6680669157696828
Energy: 1.9698231685828076
Energy: 1.3766447752038626
Energy: 1.4070413724647517
Energy: 1.3766447752038626
Energy: 1.4283861442601542
Energy: 1.4793440912612148
Energy: 1.6122584881178401
Energy: 1.4793440912612148
Energy: 1.3945453869573037
Energy: 1.4909708501774117
Energy: 1.4386785995315519
Energy: 1.4909708501799577
Energy: 1.4285936494183724
Energy: 1.5179684449896689
Energy: 1.4396253158234118
Energy: 1.5179684449905173
Energy: 1.3920303157758822
Energy: 1.4970488481373978
Energy: 1.3776004614801451
Energy: 1.4970488481373978
Energy: 1.4536541990140976
Energy: 1.4202638823648768
Energy: 1.4352071809302418
Energy: 1.4202638823648768
Energy: 1.4284235280605933
Energy: 1.6047320196113815
Energy: 1.5119079932105999
Energy: 1.604732019610533
Energy: 1.7951190910358898
Energy: 1.4751431651906604
Energy: 1.4682507900503037
Energy: 1.4751431651881144
Energy: 1.3924208889259084
Energy: 1.3858718239129044
Energy: 1.980273622364249
Energy: 1.3858718239146022
Energy: 1.4066280540268181
Energy: 1.4970370576411345
Energy: 1.4600141731655412
Energy: 1.4970370576385883
Energy: 1.3898178658346283
Energy: 1.5984464411871822
Energy: 1.4646006523044577
Energy: 1.5984464411871822
Energy: 1.4049491053591698
Energy: 1.4942410844554377
Energy: 1.4978751740189826
Energy: 1.4942410844579839
Energy: 1.4543492921289423
Energy: 1.4784939227143699
Energy: 1.4341901547274425
Energy: 1.4784939227143699
Energy: 1.4048338000665477
Energy: 1.5171171671027834
Energy: 1.6407636239552705
Energy: 1.5171171671019348
Energy: 1.5879251543459136
Energy: 1.6505180639235406
Energy: 1.474115677901383
Energy: 1.6505180639260866
Energy: 1.4044796011742673
Energy: 1.5169406133781689
Energy: 1.7938997092772735
Energy: 1.5169406133764713

minimum gb energy = 1.3757209918407507 eV
minimum distance =  2.21404191526243 Angstroms
sigma value = 29


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

Energy: 1.2652027806413804
Energy: 1.2515193664971034
Energy: 1.745492368810471
Energy: 1.2515193664968078
Energy: 1.4892223603655148
Energy: 1.2664955982949964
Energy: 1.2629664250338846
Energy: 1.2664955982947337
Energy: 1.3103386926815008
Energy: 1.3352939537203974
Energy: 1.489505596461128
Energy: 1.33529395372066
Energy: 1.262688463965161
Energy: 1.2067379908115285
Energy: 1.5015338713138824
Energy: 1.2067379908118239
Energy: 1.2657541726136379
Energy: 1.3044893165102687
Energy: 1.4897379931410384
Energy: 1.3044893165096776
Energy: 1.309705498509228
Energy: 1.3359919200246635
Energy: 1.309790505634341
Energy: 1.335991920024959
Energy: 1.2513796833305242
Energy: 1.3042254992206386
Energy: 1.2657722682559653
Energy: 1.3042254992209013
Energy: 1.5014949744308315
Energy: 1.2067973044809586
Energy: 1.2626325189552565
Energy: 1.2067973044812543
Energy: 1.489495345315996
Energy: 1.3354514703138087
Energy: 1.4896605404567693
Energy: 1.3354514703135458

minimum gb energy = 1.2067379908115285 eV
minimum distance =  2.27644192545236 Angstroms
sigma value = 5


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

Energy: 1.312028604321855
Energy: 1.313310945951845
Energy: 1.6811629350780026
Energy: 1.313310945951845
Energy: 1.4292566753475657
Energy: 1.3999199555091986
Energy: 1.332859766775943
Energy: 1.399919955508397
Energy: 1.2827449659622396
Energy: 1.4251038373461025
Energy: 1.5704157750073884
Energy: 1.4251038373453009
Energy: 1.2858598554955192
Energy: 1.3920548942644326
Energy: 1.2895921305484213
Energy: 1.3920548942644326
Energy: 1.3087304309197865
Energy: 1.3987480226170141
Energy: 1.4751892961567148
Energy: 1.3987480226162128
Energy: 1.4248313535221917
Energy: 1.431811282925506
Energy: 1.2816440287591522
Energy: 1.431811282925506
Energy: 1.2764253320371186
Energy: 1.3953556199167008
Energy: 1.2766100651543877
Energy: 1.3953556199158992
Energy: 1.276870939421327
Energy: 1.4340477519011452
Energy: 1.299206302435124
Energy: 1.4340477519003434
Energy: 1.2845635570527214
Energy: 1.3967837807652599
Energy: 1.3349424637799692
Energy: 1.3967837807652599
Energy: 1.2840474683916694
Energy: 1.3963723945239994
Energy: 1.2866912687724166
Energy: 1.3963723945239994
Energy: 1.3930648293335224
Energy: 1.5382802032617071
Energy: 1.2854405024263704
Energy: 1.5382802032617071
Energy: 1.337754063834389
Energy: 1.2993798531024476
Energy: 1.313181868771987
Energy: 1.2993798531024476
Energy: 1.3442443822895036
Energy: 1.315180833270801
Energy: 1.3215973892179165
Energy: 1.3151808332699995
Energy: 1.3064119738154707
Energy: 1.3133814948409106
Energy: 1.5626897963049546
Energy: 1.3133814948393072
Energy: 1.3031508023880771
Energy: 1.3937392924870913
Energy: 1.2853018820616804
Energy: 1.3937392924870913
Energy: 1.28637968302981
Energy: 1.305792893815416
Energy: 1.6212249877783538
Energy: 1.305792893815416
Energy: 1.4649306011106928
Energy: 1.2999934623185
Energy: 1.3091097075051839
Energy: 1.2999934623185
Energy: 1.2918458395060672
Energy: 1.431567742186995
Energy: 1.7770153232975514
Energy: 1.431567742186995
Energy: 1.2823100037214081
Energy: 1.3996626790659206
Energy: 1.2767832247715587
Energy: 1.3996626790659206
Energy: 1.3032406915458423
Energy: 1.5352999310217326
Energy: 1.2921692641869362
Energy: 1.5352999310201292
Energy: 1.2959533365929488
Energy: 1.3881829698104042
Energy: 1.284656676753355
Energy: 1.388182969811206
Energy: 1.3431410948160565
Energy: 1.3961035989857582
Energy: 1.2839610931348955
Energy: 1.3961035989857582
Energy: 1.2871471959331373
Energy: 1.3146658125635176
Energy: 1.2974131087151313
Energy: 1.3146658125635176
Energy: 1.3124118958596376
Energy: 1.3285262676225222
Energy: 1.335979704243218
Energy: 1.3285262676225222
Energy: 1.3121413645084565
Energy: 1.30997612990797
Energy: 1.3328703300288507
Energy: 1.30997612990797
Energy: 1.301493859923175
Energy: 1.3137045711935524
Energy: 1.3115998900364505
Energy: 1.3137045711935524
Energy: 1.2883232839581424
Energy: 1.274656991516455
Energy: 1.292323935168342
Energy: 1.2746569915156534
Energy: 1.6456346322043425
Energy: 1.3596343808888764
Energy: 1.2864493467964853
Energy: 1.3596343808880746
Energy: 1.297456995480118
Energy: 1.618179803543724
Energy: 1.475030978969802
Energy: 1.618179803543724
Energy: 1.7489287916629637
Energy: 1.4326755231449362
Energy: 1.292238438230948
Energy: 1.4326755231441346
Energy: 1.2792482560047167
Energy: 1.2920592589951545
Energy: 1.7516426617631315
Energy: 1.2920592589951545
Energy: 1.464987258083594
Energy: 1.400661221026993
Energy: 1.2979939994254948
Energy: 1.4006612210261913
Energy: 1.2885959678382064
Energy: 1.3605934298346767
Energy: 1.2955964354683305
Energy: 1.3605934298354783

minimum gb energy = 1.2746569915156534 eV
minimum distance =  2.21294241357417 Angstroms
sigma value = 1


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

Energy: 1.274421781401626
Energy: 1.2744272981658518
Energy: 1.858163912937794
Energy: 1.2744272981658518
Energy: 1.2763248702154175
Energy: 1.3990667432611434
Energy: 1.2651239894879163
Energy: 1.3990667432611434
Energy: 1.2376599265139354
Energy: 1.4461314126830824
Energy: 1.5076007273419518
Energy: 1.4461314126819744
Energy: 1.336650140073755
Energy: 1.3775870614216355
Energy: 1.244616464111947
Energy: 1.377587061420527
Energy: 1.2634316645763417
Energy: 1.27819433249871
Energy: 1.5619082350668587
Energy: 1.278194332496493
Energy: 1.260167003860908
Energy: 1.34246185018712
Energy: 1.2446785377908958
Energy: 1.3424618501882286
Energy: 1.237795460750873
Energy: 1.4119619875298863
Energy: 1.249219879350718
Energy: 1.4119619875309948
Energy: 1.237781710342358
Energy: 1.4463118442581935
Energy: 1.2625696702913265
Energy: 1.4463118442604104
Energy: 1.2736558515268113
Energy: 1.2792494961105958
Energy: 1.3736994261519309
Energy: 1.2792494961105958
Energy: 1.2735867050206287
Energy: 1.2789877637211882
Energy: 1.2625665688058805
Energy: 1.2789877637222964
Energy: 1.23779152668766
Energy: 1.4464060344736676
Energy: 1.302457807260292
Energy: 1.4464060344747758
Energy: 1.2378321620746018
Energy: 1.4118239340236687
Energy: 1.2482413210236112
Energy: 1.4118239340225602
Energy: 1.260348629804573
Energy: 1.342287904722673
Energy: 1.2443476173434527
Energy: 1.342287904722673
Energy: 1.2631115858398971
Energy: 1.2784657130449013
Energy: 1.2740888915405226
Energy: 1.2784657130460098
Energy: 1.336512280623
Energy: 1.3778946968469317
Energy: 1.244689074750771
Energy: 1.3778946968469317
Energy: 1.2376636132201833
Energy: 1.4459906785017669
Energy: 1.4434182360536798
Energy: 1.4459906785017669
Energy: 1.276254625874811
Energy: 1.3992324666536535
Energy: 1.26515911805874
Energy: 1.3992324666536535
Energy: 1.274421781401626
Energy: 1.2744272981669602
Energy: 1.6316713941156118
Energy: 1.2744272981658518
Energy: 1.2763248702165262
Energy: 1.3990667432611434
Energy: 1.2651239894879163
Energy: 1.3990667432611434
Energy: 1.2376599265139354
Energy: 1.4461314126819744
Energy: 1.7623310503258616
Energy: 1.4461314126819744
Energy: 1.3366501400726465
Energy: 1.3775870614216355
Energy: 1.244616464111947
Energy: 1.377587061420527
Energy: 1.2634316645763417
Energy: 1.27819433249871
Energy: 1.5619082350657503
Energy: 1.2781943324976015
Energy: 1.260167003860908
Energy: 1.3424618501882286
Energy: 1.2446785377897873
Energy: 1.3424618501893366
Energy: 1.2377954607497648
Energy: 1.4119619875298863
Energy: 1.2492198793496099
Energy: 1.4119619875309948

minimum gb energy = 1.2376599265139354 eV
minimum distance =  2.23051035822004 Angstroms
sigma value = 17


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

Energy: 1.279554387363089
Energy: 1.2793481648528213
Energy: 1.6817583739518873
Energy: 1.2793481648500808
Energy: 1.594570111852264
Energy: 1.2701501670776383
Energy: 1.2546048571513244
Energy: 1.2701501670796935
Energy: 1.250279712078279
Energy: 1.3740368601329112
Energy: 1.5374817755534453
Energy: 1.3740368601329112
Energy: 1.4647920626286755
Energy: 1.2412335060081439
Energy: 1.2485693382772198
Energy: 1.2412335060074589
Energy: 1.2515398751508604
Energy: 1.279786438714185
Energy: 1.581634728040516
Energy: 1.279786438714185
Energy: 1.2829922406006034
Energy: 1.7901885094300136
Energy: 1.2646365100898942
Energy: 1.7901885094320689
Energy: 1.2829339409572216
Energy: 1.3496581228736753
Energy: 1.264117509428194
Energy: 1.34965812287299
Energy: 1.2456476704008719
Energy: 1.5470764757754072
Energy: 1.2465972380197514
Energy: 1.5470764757760922
Energy: 1.2636685016263094
Energy: 1.5332894986297017
Energy: 1.3312270553230876
Energy: 1.5332894986303867
Energy: 1.2633811290446455
Energy: 1.5368850829242449
Energy: 1.2627582666943913
Energy: 1.536885082925615
Energy: 1.242591571335995
Energy: 1.3236932619944901
Energy: 1.2567117084524955
Energy: 1.3236932619958606
Energy: 1.242057541950628
Energy: 1.3461873160876883
Energy: 1.2384202403382332
Energy: 1.346187316085633
Energy: 1.2893006186052913
Energy: 1.5236967285898542
Energy: 1.2528590110269717
Energy: 1.5236967285898542
Energy: 1.2779462283929723
Energy: 1.3704484991559602
Energy: 1.278575864066465
Energy: 1.370448499155275
Energy: 1.2756381794483946
Energy: 1.2487759176447393
Energy: 1.2919479763582233
Energy: 1.2487759176440545
Energy: 1.2579218747165708
Energy: 1.3763222616047326
Energy: 1.5821188672620508
Energy: 1.3763222616040471
Energy: 1.2497300800000675
Energy: 1.248320167031607
Energy: 1.2532645365836477
Energy: 1.2483201670288668
Energy: 1.242595227350798
Energy: 1.3878917504581119
Energy: 1.7497185597303715
Energy: 1.3878917504594819
Energy: 1.409585314147167
Energy: 1.2567964198976862
Energy: 1.2543440095211154
Energy: 1.2567964198963162
Energy: 1.2590256139278562
Energy: 1.2645109171139215
Energy: 1.657460973671403
Energy: 1.2645109171159767
Energy: 1.3498406474544904
Energy: 1.2592881842920092
Energy: 1.2803182190702247
Energy: 1.2592881842933796
Energy: 1.2797425128393376
Energy: 1.3891946620271176
Energy: 1.3511954007254574
Energy: 1.3891946620278026
Energy: 1.4719241978572972
Energy: 1.257265848067768
Energy: 1.2614080340399982
Energy: 1.2572658480657124
Energy: 1.2546674493198424
Energy: 1.2592783648876167
Energy: 1.413959895850991
Energy: 1.2592783648903567
Energy: 1.5991145893234775
Energy: 1.387972490297603
Energy: 1.24538019213685
Energy: 1.3879724902982882
Energy: 1.252293475096597
Energy: 1.3725413038166092
Energy: 1.2498951634826772
Energy: 1.3725413038172942
Energy: 1.3935258566167708
Energy: 1.337624169921852
Energy: 1.260417829003145
Energy: 1.3376241699232225
Energy: 1.2910877594029235
Energy: 1.5101725992910036
Energy: 1.275808418032647
Energy: 1.5101725992903186
Energy: 1.278655841027639
Energy: 1.3694714197719038
Energy: 1.2785875414099444
Energy: 1.3694714197712188
Energy: 1.2525318771665317
Energy: 1.529695375983203
Energy: 1.2836672595042489
Energy: 1.529695375983203
Energy: 1.2384259386278205
Energy: 1.3680312746732073
Energy: 1.2423131755222037
Energy: 1.368031274670467
Energy: 1.2565309478963942
Energy: 1.3210366353179406
Energy: 1.2522605575897625
Energy: 1.3210366353165706
Energy: 1.2604889404817634
Energy: 1.3473108285630346
Energy: 1.4105017233185784
Energy: 1.3473108285644049
Energy: 1.3309299241936632
Energy: 1.5263639759180176
Energy: 1.2670933772909008
Energy: 1.5263639759186403
Energy: 1.2453980840997283
Energy: 1.3889388498540227
Energy: 1.2934217964153136
Energy: 1.3889388498540227
Energy: 1.2640537752574144
Energy: 1.3518763654678074
Energy: 1.2806934627753088
Energy: 1.3518763654671224
Energy: 1.26101614629302
Energy: 1.7881793357634883
Energy: 1.282694304057151
Energy: 1.7881793357647962
Energy: 1.3450551208668466
Energy: 1.2798375258409254
Energy: 1.258375371682652
Energy: 1.2798375258416101

minimum gb energy = 1.2384202403382332 eV
minimum distance =  2.22088327309262 Angstroms
sigma value = 89


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

Energy: 1.1425698624995
Energy: 1.1428570998019396
Energy: 1.8117855490714385
Energy: 1.142857099800147
Energy: 1.143196031684002
Energy: 1.1825886836548822
Energy: 1.1656001561098752
Energy: 1.182588683656675
Energy: 1.1618860733036176
Energy: 1.677411296733072
Energy: 1.891974263095109
Energy: 1.6774112967241095
Energy: 1.263101348251922
Energy: 1.182686379573566
Energy: 1.1654631101975825
Energy: 1.182686379573566
Energy: 1.161347448922792
Energy: 1.1453354543160783
Energy: 1.5419378811294602
Energy: 1.1453354543160783
Energy: 1.1615276244037323
Energy: 1.1434196627147366
Energy: 1.142077776340257
Energy: 1.1434196627147366
Energy: 1.1620729804655603
Energy: 1.3772777973916193
Energy: 1.142705678288344
Energy: 1.3772777973916193
Energy: 1.1949567530816816
Energy: 1.2456901118936465
Energy: 1.164214234497837
Energy: 1.245690111895439
Energy: 1.1614339257075592
Energy: 1.2741690972155846
Energy: 1.1459042743647452
Energy: 1.2741690972155846
Energy: 1.1819953446519775
Energy: 1.1427350183024394
Energy: 1.1613522555570193
Energy: 1.1427350183042317
Energy: 1.142292361355473
Energy: 1.1835292108817381
Energy: 1.1615341935304666
Energy: 1.1835292108817381
Energy: 1.1423618575909806
Energy: 1.3792430692866509
Energy: 1.164761336560779
Energy: 1.3792430692866509
Energy: 1.1614068605768617
Energy: 1.1430885165281264
Energy: 1.1946614483395306
Energy: 1.1430885165281264
Energy: 1.1616513518163685
Energy: 1.2733232769610316
Energy: 1.1617050393488262
Energy: 1.2733232769610316
Energy: 1.1459317817871173
Energy: 1.1430111315223344
Energy: 1.161334638406324
Energy: 1.1430111315223344

minimum gb energy = 1.142077776340257 eV
minimum distance =  2.24365174037499 Angstroms
sigma value = 13


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

Energy: 1.173163384549865
Energy: 1.4159589421591174
Energy: 1.6681342183515022
Energy: 1.4159589421418368
Energy: 1.2463030153063628
Energy: 1.4385049536574104
Energy: 1.1314159297100064
Energy: 1.4385049536551562
Energy: 1.1406101554725425
Energy: 1.3008361059858065
Energy: 1.3400079105437896
Energy: 1.300836105986558
Energy: 1.1316479725163504
Energy: 1.3003744713756646
Energy: 1.128971606121464
Energy: 1.3003744713756646
Energy: 1.1474480035556878
Energy: 1.7237986658154316
Energy: 1.2197211156811425
Energy: 1.723798665816183
Energy: 1.127590921428723
Energy: 1.3017655625422817
Energy: 1.146042529137166
Energy: 1.3017655625415303
Energy: 1.1475825594034945
Energy: 1.6751988998177887
Energy: 1.527096973431063
Energy: 1.6751988998177887
Energy: 1.133404262723212
Energy: 1.4566484290386668
Energy: 1.1458850862442278
Energy: 1.456648429039418
Energy: 1.1480184066667116
Energy: 1.236885026706386
Energy: 1.3153701994564095
Energy: 1.2368850267056346
Energy: 1.3124376061134237
Energy: 1.4552272176458634
Energy: 1.1290222733967743
Energy: 1.4552272176473657
Energy: 1.1476944564229616
Energy: 1.2588609024454196
Energy: 1.1287523555333023
Energy: 1.2588609024431656
Energy: 1.4608334467950033
Energy: 1.3890116486090522
Energy: 1.1379321442360022
Energy: 1.389011648606047
Energy: 1.1814001151251008
Energy: 1.1541927568166666
Energy: 1.1696192855243344
Energy: 1.1541927568166666
Energy: 1.4148588352148015
Energy: 1.25716306839575
Energy: 1.1361266443758646
Energy: 1.2571630683987551
Energy: 1.1480939904258658
Energy: 1.2969934122216533
Energy: 1.1399233185873874
Energy: 1.2969934122186482
Energy: 1.127053630385033
Energy: 1.4588471594367654
Energy: 1.1261857054387157
Energy: 1.4588471594345798
Energy: 1.1424668944318397
Energy: 1.2944562090686935
Energy: 1.1259201014146225
Energy: 1.2944562090777096
Energy: 1.1678917169088705
Energy: 1.233319478908601
Energy: 1.1414645017178875
Energy: 1.233319478908601
Energy: 1.1430678649127366
Energy: 1.2906753347092117
Energy: 1.1412724390790308
Energy: 1.2906753345192623
Energy: 1.1424662259558482
Energy: 1.2911229993396947
Energy: 1.141433761476644
Energy: 1.2911229993502131
Energy: 1.1679435781955867
Energy: 1.233307504488905
Energy: 1.141429883887719
Energy: 1.2333075044904076
Energy: 1.1428383846940677
Energy: 1.2946468723975226
Energy: 1.1260519356718066
Energy: 1.2946468723975226
Energy: 1.1272549468413697
Energy: 1.4586144603986189
Energy: 1.1262230373307212
Energy: 1.4586144603963649
Energy: 1.1480715020319305
Energy: 1.2963995796596943
Energy: 1.1375385551267143
Energy: 1.2963995796604457
Energy: 1.4152336607247655
Energy: 1.2573440042099069
Energy: 1.1378482473852365
Energy: 1.2573440042114095
Energy: 1.1811016734251776
Energy: 1.1544138851270414
Energy: 1.1308641616641033
Energy: 1.1544138851270414
Energy: 1.4606193663729468
Energy: 1.3890429145238858
Energy: 1.1366469829643262
Energy: 1.389042914530648
Energy: 1.147067493730649
Energy: 1.2592831486040856
Energy: 1.1250316081645197
Energy: 1.2592831486055884
Energy: 1.3124211606599165
Energy: 1.6760947756607802
Energy: 1.1289456398156357
Energy: 1.6760947756592774
Energy: 1.1477530551750517
Energy: 1.236998736590558
Energy: 1.2737299952605383
Energy: 1.2369987365943143
Energy: 1.1333287659074702
Energy: 1.4581498182139732
Energy: 1.1458458110555285
Energy: 1.458149818213222
Energy: 1.1478128354697794
Energy: 1.6743160028143367
Energy: 1.417148157009013
Energy: 1.6743160028143367
Energy: 1.1278061156583221
Energy: 1.3020559045253093
Energy: 1.1459074456263207
Energy: 1.3020559045290658
Energy: 1.1471929137618317
Energy: 1.724244472432949
Energy: 1.4286939528711904
Energy: 1.724244472429944
Energy: 1.131660882565589
Energy: 1.3003064748104483
Energy: 1.1289471182362072
Energy: 1.300306474808194

minimum gb energy = 1.1250316081645197 eV
minimum distance =  2.21697598890905 Angstroms
sigma value = 37


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

Energy: 1.2233046754595918
Energy: 1.2224886700320896
Energy: 1.0955838015748534
Energy: 1.2224886700320896
Energy: 1.3121949800528616
Energy: 1.44272805096856
Energy: 1.062855677202674
Energy: 1.44272805096856
Energy: 1.0844666617596561
Energy: 1.7061214350012033
Energy: 1.4109714691235147
Energy: 1.706121435002496
Energy: 1.1619524699582227
Energy: 1.2077878643580788
Energy: 1.0628856115370704
Energy: 1.2077878643580788
Energy: 1.061847523245228
Energy: 1.0894265258054265
Energy: 1.203789589665574
Energy: 1.0894265258054265
Energy: 1.0697398748316511
Energy: 1.5619229418509417
Energy: 1.1642404226813436
Energy: 1.5619229418509417
Energy: 1.0779330797032174
Energy: 1.7043341980703361
Energy: 1.4167828738966413
Energy: 1.7043341980690438
Energy: 1.0443010507894808
Energy: 1.0905620532425382
Energy: 1.0918746841317781
Energy: 1.0905620532412457
Energy: 1.0633424716513917
Energy: 1.4420917749859352
Energy: 1.3006285673096536
Energy: 1.4420917749859352
Energy: 1.4109031094910927
Energy: 1.5728065398743551
Energy: 1.164325138987314
Energy: 1.5728065398730917
Energy: 1.0864285364622464
Energy: 1.5114453066525815
Energy: 1.1622845628221683
Energy: 1.5114453066512892
Energy: 1.3531598556735875
Energy: 1.5037960018325187
Energy: 1.0626924494805643
Energy: 1.5037960018325187
Energy: 1.1616546881611944
Energy: 1.4423005078050959
Energy: 1.0484641358625306
Energy: 1.4423005078038034
Energy: 1.4162450457781026
Energy: 1.8098316534776315
Energy: 1.0443702255023393
Energy: 1.8098316534750463
Energy: 1.22206620842742
Energy: 1.2581971411886825
Energy: 1.0443414455807092
Energy: 1.2581971411886825
Energy: 1.222864089480778
Energy: 1.4426926990532098
Energy: 1.062302788540398
Energy: 1.4426926990532098
Energy: 1.1616415477036144
Energy: 1.8287315874477168
Energy: 1.0714920924542184
Energy: 1.8287315874477168
Energy: 1.1619577039323092
Energy: 1.509930790193173
Energy: 1.0612348041887785
Energy: 1.5099307901944656
Energy: 1.0613607055252257
Energy: 1.0905530098148717
Energy: 1.0614141237030787
Energy: 1.0905530098161642
Energy: 1.0616799012212663
Energy: 1.4424100624388427
Energy: 1.1620990866893575
Energy: 1.44241006243755

minimum gb energy = 1.0443010507894808 eV
minimum distance =  2.21472110847498 Angstroms
sigma value = 25


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

Energy: 1.1293717598732047
Energy: 1.2361427109189969
Energy: 0.973227083508301
Energy: 1.2361427109189969
Energy: 1.4524140352858368
Energy: 1.3341476641262155
Energy: 0.9721741722806373
Energy: 1.3341476641252061
Energy: 1.0633521459311572
Energy: 1.0645393370426857
Energy: 1.2286578568472992
Energy: 1.064539337041676
Energy: 1.1435129499437628
Energy: 1.2682668755091622
Energy: 0.9810031883315481
Energy: 1.2682668755091622
Energy: 0.9890520136810019
Energy: 1.333233787531473
Energy: 1.0612792798081017
Energy: 1.333233787531473
Energy: 1.0376403206638851
Energy: 1.3320885505718114
Energy: 0.9909690538271666
Energy: 1.3320885505718114
Energy: 0.9748110941902828
Energy: 0.966100525543239
Energy: 1.2744685050213138
Energy: 0.966100525543239
Energy: 0.9587528255045374
Energy: 1.275630137475964
Energy: 1.0655074760374275
Energy: 1.2756301374769734
Energy: 0.9712203462764473
Energy: 1.332998019297087
Energy: 1.3396926620876055
Energy: 1.3329980192950681
Energy: 0.9461566357142895
Energy: 1.1401721923533703
Energy: 1.0318038427017138
Energy: 1.140172192352361
Energy: 0.9750546213899361
Energy: 0.9685365532126
Energy: 1.3194110726995085
Energy: 0.9685365532146187
Energy: 1.2294644556431462
Energy: 1.3852054232962814
Energy: 1.06568419409616
Energy: 1.3852054232952715
Energy: 0.9831261935982106
Energy: 1.2686639241260542
Energy: 1.2397034508276392
Energy: 1.2686639241321105
Energy: 1.2090463069200688
Energy: 1.2654243602806856
Energy: 0.991087152688403
Energy: 1.2654243602796762
Energy: 0.9895392067878882
Energy: 0.9688085421588546
Energy: 1.0354087363006597
Energy: 0.9688085421618826
Energy: 1.2736126290556087
Energy: 1.5021940070578605
Energy: 0.9732776688221119
Energy: 1.50219400705887
Energy: 1.0681502249046892
Energy: 1.276206655701243
Energy: 0.9485057595500405
Energy: 1.276206655704271
Energy: 1.2568545233223676
Energy: 1.2531612878935474
Energy: 0.9722873481313575
Energy: 1.2531612878945568
Energy: 1.1320402301031454
Energy: 0.9864380703196705
Energy: 0.9464845572490174
Energy: 0.9864380703166423
Energy: 1.4481460422938683
Energy: 1.474530570864707
Energy: 0.9736759089702803
Energy: 1.4745305708707634
Energy: 1.068738857388393
Energy: 1.2194877815592553
Energy: 0.9605871570435575
Energy: 1.2194877815511806
Energy: 1.0630725315433738
Energy: 1.2688248137734517
Energy: 0.9806264531653841
Energy: 1.2688248137724423
Energy: 0.9897955476184769
Energy: 1.1727140792846784
Energy: 1.209905842160031
Energy: 1.1727140792846784
Energy: 1.0351979035608787
Energy: 1.47089682100086
Energy: 0.9898158777568734
Energy: 1.4708968210018691
Energy: 0.9736724839048304
Energy: 1.1930802691864772
Energy: 1.273629291414505
Energy: 1.1930802691734013
Energy: 0.9540957061821903
Energy: 1.1921020333417636
Energy: 1.0630578473132863
Energy: 1.192102033342773

minimum gb energy = 0.9461566357142895 eV
minimum distance =  2.22713109040664 Angstroms
sigma value = 41


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

Energy: 1.1818670459636949
Energy: 1.1860543887086479
Energy: 0.8880363264323043
Energy: 1.1860543887136132
Energy: 1.2502568333268802
Energy: 1.1734474452535804
Energy: 0.8823338813677525
Energy: 1.1734474452535804
Energy: 0.911553209694383
Energy: 1.1628623833638627
Energy: 1.5491906212973883
Energy: 1.1628623833622076
Energy: 1.1783912364350335
Energy: 1.1710847016250467
Energy: 0.8824949961383239
Energy: 1.171084701625874
Energy: 0.8763546943178292
Energy: 1.2019876603937907
Energy: 0.954448482466032
Energy: 1.2019876603937907
Energy: 0.9489773997873701
Energy: 1.1731942663636612
Energy: 0.8824669762785186
Energy: 1.1731942663669712
Energy: 0.881299111170268
Energy: 1.1716970502828268
Energy: 0.9494916498963234
Energy: 1.1716970502836543
Energy: 0.8641240769954589
Energy: 1.049128721478681
Energy: 0.8776595314892175
Energy: 1.0491287214811635
Energy: 0.8856260621932179
Energy: 1.1837057203883576
Energy: 1.1729048008486727
Energy: 1.1837057203867025
Energy: 0.8662715575664462
Energy: 1.166847814914393
Energy: 0.9127940928422223
Energy: 1.1668478149152208
Energy: 0.8813986009832508
Energy: 1.172230061015804
Energy: 1.33377731800487
Energy: 1.1722300610166316
Energy: 0.8679608652140115
Energy: 1.1843995544457255
Energy: 1.183201720347808
Energy: 1.184399554443243
Energy: 0.8856290129194563
Energy: 1.3665872897049725
Energy: 1.424431092087903
Energy: 1.3665872897041447
Energy: 1.098432226394257
Energy: 1.4195138465946577
Energy: 0.9127614986025385
Energy: 1.4195138465954853
Energy: 0.8814077049055038
Energy: 1.171287052233174
Energy: 1.162705199148566
Energy: 1.1712870522340013
Energy: 1.081832142125893
Energy: 1.2110386479449098
Energy: 0.8776503331065366
Energy: 1.2110386479449098
Energy: 0.8856466007761855
Energy: 1.0489619358172673
Energy: 1.1081926628484744
Energy: 1.0489619358511957
Energy: 1.0740801728597356
Energy: 1.0837405109559688
Energy: 0.8824714862535633
Energy: 1.0837405109559688
Energy: 0.8813918507143492
Energy: 1.049036073222978
Energy: 0.8636455186116153
Energy: 1.0490360732213226
Energy: 1.0683364057415206
Energy: 1.1835991350711614
Energy: 0.88537703410625
Energy: 1.1835991350711614
Energy: 0.916172581021627
Energy: 1.0484769401174479
Energy: 0.8664156147537885
Energy: 1.0484769401182754
Energy: 1.3364809089419851
Energy: 1.2967934003033972
Energy: 0.8824907169763301
Energy: 1.2967934003058796
Energy: 1.187251304328574
Energy: 1.1849916500566935
Energy: 0.8680127508541278
Energy: 1.1849916500326954
Energy: 1.1825202481614796
Energy: 1.0488329974326076
Energy: 0.8855475419902525
Energy: 1.048832997412747
Energy: 0.9161174547881578
Energy: 1.2791178372637133
Energy: 0.8729492430266822
Energy: 1.2791178372661958
Energy: 1.1634469502233957
Energy: 1.5437400162920958
Energy: 0.8826063297021639
Energy: 1.5437400162920958
Energy: 0.8815449972700552
Energy: 1.0737299558890738
Energy: 1.082279298980975
Energy: 1.0737299558899014
Energy: 0.8772510699340959
Energy: 1.3675429643791241
Energy: 0.8857926889479193
Energy: 1.3675429643791241
Energy: 0.8860998227697835
Energy: 1.141150184237111
Energy: 1.0736904498617341
Energy: 1.1411501841585716
Energy: 0.8633578425256542
Energy: 1.4190433694687594
Energy: 0.8834971432655669
Energy: 1.4190433694687594
Energy: 0.8816478620000007
Energy: 1.0475843348287892
Energy: 1.0675944513788915
Energy: 1.0475843348287892
Energy: 0.8674042901835657
Energy: 1.367873723503747
Energy: 0.9209278368219029
Energy: 1.3678737235062297

minimum gb energy = 0.8633578425256542 eV
minimum distance =  2.21626500611421 Angstroms
sigma value = 15


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

Energy: 1.085168783419978
Energy: 0.8366648846442609
Energy: 1.2899751543131304
Energy: 0.8366648846428589
Energy: 1.547527728402086
Energy: 0.950084543977885
Energy: 0.8320156367786223
Energy: 0.9500845439750808
Energy: 0.862520888060043
Energy: 1.0649780233984434
Energy: 1.466722047701381
Energy: 1.0649780233984434
Energy: 1.1988752137346308
Energy: 0.9500019256329167
Energy: 0.8320907830351912
Energy: 0.9500019256294117
Energy: 0.8280620821483686
Energy: 0.987544453699103
Energy: 0.8749030504338264
Energy: 0.9875444536984019
Energy: 1.0507128813468605
Energy: 0.9489161884639276
Energy: 0.8322635170231051
Energy: 0.9489161884639276
Energy: 0.831261369944656
Energy: 1.0752865912573153
Energy: 0.8697879047300988
Energy: 1.0752865912790472
Energy: 0.9367828152537201
Energy: 1.0742206127043261
Energy: 0.8322050315482731
Energy: 1.0742206127029241
Energy: 0.8344182187916603
Energy: 0.9618893473918826
Energy: 0.9949863468527117
Energy: 0.9618893539106881
Energy: 0.8002386565393009
Energy: 0.9457853230162061
Energy: 0.8290626877863523
Energy: 0.9457853230316288
Energy: 0.8312576042772947
Energy: 1.0637132850971112
Energy: 1.2339753603318058
Energy: 1.0637132851062245
Energy: 0.801954954564229
Energy: 1.0630043441754309
Energy: 0.8631035538154429
Energy: 1.0630043441761319
Energy: 0.8345140450234654
Energy: 0.8488963806176245
Energy: 1.3167968648663506
Energy: 0.8488963806141194
Energy: 0.8031669322986803
Energy: 0.8368401924990322
Energy: 1.085896933210228
Energy: 0.8368401924997332
Energy: 0.8315049874150647
Energy: 0.949910854540903
Energy: 1.3417488022985011
Energy: 0.949910854540903
Energy: 0.9979930399822651
Energy: 1.0626979809093353
Energy: 0.8633328450162003
Energy: 1.0626979809065311
Energy: 0.8344546116624577
Energy: 0.846896182361653
Energy: 1.2015362062197446
Energy: 0.846896182361653
Energy: 0.9862190578016207
Energy: 1.1046586924074207
Energy: 0.8289377717218605
Energy: 1.1046586924116268
Energy: 0.8313187105712972
Energy: 0.9494761302188172
Energy: 1.0498889565858345
Energy: 0.9494761302209201
Energy: 0.980784666911171
Energy: 1.0874630223666382
Energy: 0.8322047790305974
Energy: 1.0874630223652362
Energy: 0.8343852025700585
Energy: 0.976467813871607
Energy: 0.9382157977475155
Energy: 0.9764678109047883
Energy: 0.9820398298782533
Energy: 1.0974831393206335
Energy: 0.8375788443451305
Energy: 1.0974831393178293
Energy: 0.8313523673436034
Energy: 0.945520443400983
Energy: 0.8001045708387552
Energy: 0.9455204433988799
Energy: 1.2149134177849212
Energy: 0.9461954911365935
Energy: 0.8320508941529567
Energy: 0.946195491147109
Energy: 0.8656126794145842
Energy: 0.9793150846608594
Energy: 0.8037274677662286
Energy: 0.979315084653148
Energy: 1.2320291816341773
Energy: 0.9586418466026608
Energy: 0.838027550951725
Energy: 0.95864184660196
Energy: 1.0886471757268577
Energy: 0.9460787934017233
Energy: 0.8035232480771214
Energy: 0.9460787934010221
Energy: 1.3390698839626487
Energy: 0.8297920451698885
Energy: 0.8321419613728046
Energy: 0.8297920451677855
Energy: 0.8655675019682708
Energy: 1.1710691010089875
Energy: 0.8093304167784283
Energy: 1.1710691010075853
Energy: 1.0617426246554187
Energy: 0.8467510069355977
Energy: 0.8380302887480449
Energy: 0.8467510069377008
Energy: 0.8314463588109393
Energy: 1.0258459764145273
Energy: 0.9862397570016863
Energy: 1.0258460473180715
Energy: 1.0494754059513147
Energy: 0.9447692386744811
Energy: 0.8321031534521349
Energy: 0.9447692385511638
Energy: 0.8344224197617385
Energy: 1.0593700414258342
Energy: 0.9806694311007615
Energy: 1.0593698591950522
Energy: 0.8076447227643974
Energy: 0.9783561447215616
Energy: 0.8380752494272526
Energy: 0.9783561447209244
Energy: 0.824963105827555
Energy: 1.0276367323528555
Energy: 0.9823617546435087
Energy: 1.0276367323121958
Energy: 0.8000431395714542
Energy: 0.9456120476025862
Energy: 0.8352180671078688
Energy: 0.9456120476011842
Energy: 0.8346367266859431
Energy: 0.9769042036451784
Energy: 1.2150985625055135
Energy: 0.9769042036486835

minimum gb energy = 0.8000431395714542 eV
minimum distance =  2.22802454059857 Angstroms
sigma value = 85


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

Energy: 1.0355767908830187
Energy: 1.3025596974362785
Energy: 1.3247564930581315
Energy: 1.3025596974362785
Energy: 1.4169838274892956
Energy: 0.897354022023305
Energy: 0.7666712585897271
Energy: 0.897354022022697
Energy: 0.987082457241846
Energy: 0.9878229828148725
Energy: 0.9922465226509473
Energy: 0.9878229845068087
Energy: 1.214833803381739
Energy: 0.8977640478213283
Energy: 0.766865509708599
Energy: 0.8977640478207203
Energy: 0.8070698785988915
Energy: 0.9547659879445661
Energy: 0.7281231587624074
Energy: 0.9547659879445661
Energy: 1.075999623702884
Energy: 0.9022360966266956
Energy: 0.7665870329532077
Energy: 0.9022360966315319
Energy: 0.7626784068167427
Energy: 1.0106767364263887
Energy: 0.8458214882777807
Energy: 1.0106767364373326
Energy: 0.9404613181080712
Energy: 0.8976073850394225
Energy: 0.7666840576576861
Energy: 0.8976073854927722
Energy: 0.7657126486080991
Energy: 0.9692998350589775
Energy: 0.9532295701533873
Energy: 0.9692998350589775
Energy: 0.8427595749164356
Energy: 1.0107288422685754
Energy: 0.7637088908200235
Energy: 1.0107288421767944
Energy: 0.7660370957377869
Energy: 1.0056635034049783
Energy: 1.1016934469577009
Energy: 1.0056635034049783
Energy: 0.725384718992877
Energy: 0.896856916499376
Energy: 0.8079510929081829
Energy: 0.8968569164987681
Energy: 0.7660227857031783
Energy: 0.9697436555608883
Energy: 1.2101095659566439
Energy: 0.9697436555590642
Energy: 0.7279735448978625
Energy: 0.987860103761391
Energy: 0.9879856669383298
Energy: 0.987860103761391
Energy: 0.7663220385791929
Energy: 0.8973084451627167
Energy: 1.319322983897178
Energy: 0.8973084451639326
Energy: 0.7274700055700989
Energy: 0.8156226712378093
Energy: 1.0364131441874622
Energy: 0.8156226712372012
Energy: 0.7658194857238084
Energy: 0.969848889130792
Energy: 1.3195418628332536
Energy: 0.969848889130792
Energy: 0.8991647317851553
Energy: 0.987518258392216
Energy: 0.9879438679535185
Energy: 0.9875182583916079
Energy: 0.7661843159607364
Energy: 0.8974127373128495
Energy: 1.2152371384990683
Energy: 0.8974127373128495
Energy: 0.8851704162014271
Energy: 0.9326956236434462
Energy: 0.8080028122213262
Energy: 0.9326956236428381
Energy: 0.7660523623934484
Energy: 0.969760760912753
Energy: 1.0760156336753284
Energy: 0.969760760912753
Energy: 0.8829220031653338
Energy: 1.0060260007201531
Energy: 0.763597732131076
Energy: 1.006026000719545
Energy: 0.7665577543837037
Energy: 0.8973409883694796
Energy: 0.9404052355955423
Energy: 0.8973409885870345
Energy: 0.8888377246897392
Energy: 1.1796992680204552
Energy: 0.7666524788831938
Energy: 1.179699268010119
Energy: 0.7659869463074647
Energy: 0.8971252741841313
Energy: 0.8332099914440126
Energy: 0.8971252741847394
Energy: 1.0924707415538601
Energy: 0.9873311580626455
Energy: 0.7667063508253281
Energy: 0.9873311580614295
Energy: 0.8099964322217572
Energy: 0.8967327480405383
Energy: 0.7250829363039004
Energy: 0.8967327479353813
Energy: 1.0978138896610616
Energy: 0.9389803931826296
Energy: 0.7661831132385022
Energy: 0.9389803931838456
Energy: 0.9905749000091394
Energy: 0.9874057398143861
Energy: 0.7281603253303216
Energy: 0.987405739813778
Energy: 1.319605201936663
Energy: 0.8974950123559895
Energy: 0.7661780483721383
Energy: 0.8974950123572055
Energy: 1.0387238094722273
Energy: 1.0061642118058665
Energy: 0.7275118521884943
Energy: 1.0061642118064746
Energy: 1.2498340441344509
Energy: 1.028515163952663
Energy: 0.7662680540592222
Energy: 1.0285151639520553
Energy: 0.9906727312687603
Energy: 0.9874639518729885
Energy: 0.7360006741014606
Energy: 0.9874639518742045
Energy: 1.2270462466588543
Energy: 0.8977867220763807
Energy: 0.7662324829834405
Energy: 0.8977867220751645
Energy: 0.8101421065582737
Energy: 1.0374059649245833
Energy: 0.8863942025648169
Energy: 1.0374059649245833
Energy: 0.9557329241735701
Energy: 1.3187264680898023
Energy: 0.7664910547985395
Energy: 1.3187264680898023
Energy: 0.7659520648187321
Energy: 1.0070924566124233
Energy: 0.8823703743483888
Energy: 1.0070924566124233
Energy: 0.940191731764222
Energy: 0.9875430525874904
Energy: 0.765561541399313
Energy: 0.9875430525880985
Energy: 0.7666048918506341
Energy: 0.8967824371313493
Energy: 0.8890347079221641
Energy: 0.8967824524699575
Energy: 0.7350317486069432
Energy: 1.2052257549731096
Energy: 0.7624974816868642
Energy: 1.2052257549737175
Energy: 0.7654623978284574
Energy: 0.8966401059421792
Energy: 1.092246772055828
Energy: 0.8966401058431299
Energy: 0.725019216111284
Energy: 0.8965949395316578
Energy: 0.8067564683789589
Energy: 0.8965949395316578
Energy: 0.7663466943181121
Energy: 0.8070180761751177
Energy: 1.0972771082260566
Energy: 0.8070180761751177

minimum gb energy = 0.725019216111284 eV
minimum distance =  2.26274591875937 Angstroms
sigma value = 113


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

Energy: 0.02052407663963052
Energy: 0.021259668357476075
Energy: 1.1302328797061005
Energy: 0.021259668357476075
Energy: 1.1292664106051038
Energy: 1.8142243410959094
Energy: 0.461242699176927
Energy: 1.8142243410949745
Energy: 0.02052407663963052
Energy: 0.021259668357476075
Energy: 1.1302328797938164
Energy: 0.02125966835700867
Energy: 1.1292664106051038
Energy: 1.8142243410949745
Energy: 0.461242699176927
Energy: 1.8142243410936245
Energy: 0.02052407663963052
Energy: 0.021259668357943472
Energy: 1.1302328798097598
Energy: 0.02125966835700867
Energy: 1.1292664106051038
Energy: 1.8142243410949745
Energy: 0.461242699176927
Energy: 1.814224341095442

minimum gb energy = 0.02052407663963052 eV
minimum distance =  2.44519001787317 Angstroms
sigma value = 1