Model name: model_name=SNAP_LiHuChen_2018_Ni__MO_913991514986_000
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=3.520425826311112
cohesive_energy=2.4459192092499484
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: -3.33480144358195 eV

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

Energy: 0.009999498547734194
Energy: 0.010507117685347414
Energy: 0.010149040218034183
Energy: 0.010507117685347414
Energy: 0.010507117685347414
Energy: 1.2521661261904966
Energy: 0.010507117685347414
Energy: 1.2521661261904966
Energy: 0.010149040218034183
Energy: 0.010507117685347414
Energy: 0.009999498547734194
Energy: 0.010507117685347414
Energy: 0.010507117685347414
Energy: 1.2521661261904966
Energy: 0.010507117685347414
Energy: 1.2521661261904966

minimum gb energy = 0.009999498547734194 eV
minimum distance =  2.40308825133056 Angstroms
sigma value = 1


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

Energy: 1.4030071705433818
Energy: 1.4815638619423412
Energy: 1.3853159754303008
Energy: 1.4815638619423412
Energy: 1.3582621351538704
Energy: 1.421748314637369
Energy: 1.336861352763296
Energy: 1.421748314638171
Energy: 1.2830931153853888
Energy: 1.4537322469675957
Energy: 1.336337833899395
Energy: 1.4537322469675957
Energy: 1.3187558145886553
Energy: 1.5015168313613276
Energy: 1.3077225820497758
Energy: 1.5015168313613276
Energy: 1.3234834077715907
Energy: 1.4829595498653754
Energy: 1.3227846069278688
Energy: 1.4829595498653754
Energy: 1.3120078094315113
Energy: 1.425549799918854
Energy: 1.2493075754801763
Energy: 1.425549799918052
Energy: 1.3644960170177323
Energy: 1.4540807641988907
Energy: 1.314310196364407
Energy: 1.4540807641988907
Energy: 1.2575422497538873
Energy: 1.4829708209581154
Energy: 1.2388850793453736
Energy: 1.4829708209581154
Energy: 1.3089631596748048
Energy: 1.3418236252256948
Energy: 1.3484269560309814
Energy: 1.3418236252256948
Energy: 1.2472741697566478
Energy: 1.4534325229759095
Energy: 1.2433038861360335
Energy: 1.4534325229759095
Energy: 1.3544114608179205
Energy: 1.43728785365198
Energy: 1.309230867080079
Energy: 1.43728785365198
Energy: 1.3853423256317954
Energy: 1.48332881663758
Energy: 1.2724898245860434
Energy: 1.4833288166367777
Energy: 1.3364131734055449
Energy: 1.453458078897928
Energy: 1.363628715268046
Energy: 1.453458078897928
Energy: 1.3503167497443105
Energy: 1.4656262877155828
Energy: 1.2926840712743373
Energy: 1.4656262877155828
Energy: 1.3262374205594758
Energy: 1.4833176379014303
Energy: 1.336416888376295
Energy: 1.4833176379014303
Energy: 1.3346218121207467
Energy: 1.4823204024832692
Energy: 1.336134897196829
Energy: 1.4823204024832692
Energy: 1.3369348008318909
Energy: 1.4537232665265913
Energy: 1.2915890448687428
Energy: 1.4537232665265913
Energy: 1.3366453040121098
Energy: 1.4102036891325982
Energy: 1.3590767470146057
Energy: 1.4102036891334004
Energy: 1.2425925827258024
Energy: 1.4826082249321848
Energy: 1.2725340331123558
Energy: 1.4826082249321848
Energy: 1.3074532075582488
Energy: 1.3407996492550347
Energy: 1.3137383355570462
Energy: 1.3407996492550347
Energy: 1.2467666970265734
Energy: 1.4536667000398582
Energy: 1.2445560728446927
Energy: 1.4536667000398582
Energy: 1.3077793199447905
Energy: 1.354272100671754
Energy: 1.3364463199965804
Energy: 1.3542721006725562
Energy: 1.3227057415689039
Energy: 1.4837457264914178
Energy: 1.2895831839965517
Energy: 1.4837457264914178
Energy: 1.3001187691557907
Energy: 1.4554904984564454
Energy: 1.3123505122796575
Energy: 1.4554904984564454
Energy: 1.3142641843804492
Energy: 1.4255240871922314
Energy: 1.3631370109165248
Energy: 1.4255240871914292
Energy: 1.3253700457647501
Energy: 1.482975104890986
Energy: 1.2886882464452327
Energy: 1.482975104890986
Energy: 1.3276804179932837
Energy: 1.4174778347409476
Energy: 1.3088141168801504
Energy: 1.4174778347393437
Energy: 1.285255906127403
Energy: 1.4533288054761981
Energy: 1.3367470790795404
Energy: 1.4533288054761981
Energy: 1.3571068227801981
Energy: 1.41186661900278
Energy: 1.3537093130596096
Energy: 1.41186661900278
Energy: 1.368180270797944
Energy: 1.4821429759184934
Energy: 1.2435574216989647
Energy: 1.4821429759192957
Energy: 1.363078381472573
Energy: 1.4675644630497227
Energy: 1.3360817332350803
Energy: 1.4675644630497227
Energy: 1.3050129853910557
Energy: 1.4548796214910384
Energy: 1.3508174905704833
Energy: 1.4548796214910384
Energy: 1.323073260166748
Energy: 1.5003996987427695
Energy: 1.3095149165682813
Energy: 1.5003996987427695

minimum gb energy = 1.2388850793453736 eV
minimum distance =  2.21515053611879 Angstroms
sigma value = 1


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

Energy: 1.4630940866587454
Energy: 1.5806272423961742
Energy: 1.432730379418882
Energy: 1.5806272423961742
Energy: 1.3697410110046038
Energy: 1.5057575086240071
Energy: 1.3761224623233725
Energy: 1.5057575086240071
Energy: 1.332848758434488
Energy: 1.580635906575409
Energy: 1.3674837790437548
Energy: 1.580635906575409
Energy: 1.3167422470494654
Energy: 1.4470233732234585
Energy: 1.3442143326343738
Energy: 1.4470233732234585
Energy: 1.3164556572482902
Energy: 1.537632663144053
Energy: 1.3676086266731995
Energy: 1.537632663144053
Energy: 1.4798981146267234
Energy: 1.5374927810503458
Energy: 1.307141600959676
Energy: 1.5374927810503458
Energy: 1.3683384591531211
Energy: 1.3570655349160612
Energy: 1.3583505033255827
Energy: 1.3570655349160612
Energy: 1.2899851265906215
Energy: 1.581583192063827
Energy: 1.29966973942551
Energy: 1.581583192063827
Energy: 1.3155172379480629
Energy: 1.4103362538328226
Energy: 1.4010853621096857
Energy: 1.4103362538328226
Energy: 1.3106888160041956
Energy: 1.5815256950080736
Energy: 1.4542921054815159
Energy: 1.5815256950080736
Energy: 1.3683899566868085
Energy: 1.4702857995945833
Energy: 1.3649586268937826
Energy: 1.4702857995945833
Energy: 1.3032001496103396
Energy: 1.5566355719806468
Energy: 1.368541843230756
Energy: 1.5566355719806468
Energy: 1.4037998030421446
Energy: 1.5367431690552702
Energy: 1.3343540623440406
Energy: 1.5367431690552702
Energy: 1.40961092345572
Energy: 1.5368242337840388
Energy: 1.3678900294437124
Energy: 1.5368242337840388
Energy: 1.3033897519479638
Energy: 1.5568561383467476
Energy: 1.3666040492871951
Energy: 1.5568561383467476
Energy: 1.3686110931446476
Energy: 1.4703899172631674
Energy: 1.3575626868159871
Energy: 1.4703899172631674
Energy: 1.3107151150344831
Energy: 1.5814231397740846
Energy: 1.2915841985821936
Energy: 1.5814231397749992
Energy: 1.315544605402056
Energy: 1.4102468566144142
Energy: 1.4007469437132205
Energy: 1.4102468566144142
Energy: 1.2899594455870027
Energy: 1.581363898831645
Energy: 1.300735632259838
Energy: 1.581363898831645
Energy: 1.3683378524232057
Energy: 1.3576287919867096
Energy: 1.3516966105374528
Energy: 1.3576287919867096
Energy: 1.4798396490328751
Energy: 1.537201901236295
Energy: 1.3074342297292676
Energy: 1.537201901236295
Energy: 1.3165329303628703
Energy: 1.5373810062829174
Energy: 1.3460709410529534
Energy: 1.5373810062829174
Energy: 1.3165022297369655
Energy: 1.4470808013769791
Energy: 1.3586543341990154
Energy: 1.4470808013769791
Energy: 1.3325835069256413
Energy: 1.5807537711302018
Energy: 1.3666464765221416
Energy: 1.5807537711302018
Energy: 1.369597311325504
Energy: 1.5068725583394103
Energy: 1.3761339979176255
Energy: 1.5068725583403246
Energy: 1.4630940866578308
Energy: 1.5806272423961742
Energy: 1.4383220743390777
Energy: 1.5806272423961742
Energy: 1.3697410110046038
Energy: 1.5057575086240071
Energy: 1.376122462324287
Energy: 1.5057575086240071
Energy: 1.332848758434488
Energy: 1.580635906575409
Energy: 1.3674837790437548
Energy: 1.580635906575409
Energy: 1.3167422470494654
Energy: 1.4470233732234585
Energy: 1.348750472786076
Energy: 1.4470233732234585

minimum gb energy = 1.2899594455870027 eV
minimum distance =  2.17669903525644 Angstroms
sigma value = 25


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

Energy: 1.4409570985906526
Energy: 1.6335192005684525
Energy: 1.5085358021905944
Energy: 1.6335192005684525
Energy: 1.3740474756590146
Energy: 1.473885325285529
Energy: 1.3721151028725551
Energy: 1.473885325285529
Energy: 1.352188765624942
Energy: 1.6989252834738455
Energy: 1.3726206456866836
Energy: 1.6989252834738455
Energy: 1.3485127620911839
Energy: 1.4133463647572733
Energy: 1.3825109826000364
Energy: 1.4133463647572733
Energy: 1.382082888231406
Energy: 1.649190457352768
Energy: 1.3554805581262965
Energy: 1.649190457352768
Energy: 1.5605608657291634
Energy: 1.6993112201130594
Energy: 1.3731727448617725
Energy: 1.6993112201130594
Energy: 1.3740889364614366
Energy: 1.3822643657476628
Energy: 1.4404851592973664
Energy: 1.3822643657476628
Energy: 1.5416359974312837
Energy: 1.634386714279442
Energy: 1.372052005316532
Energy: 1.634386714279442
Energy: 1.4409098640903255
Energy: 1.5102034695578852
Energy: 1.3730125799017312
Energy: 1.5102034695578852
Energy: 1.3785951094975029
Energy: 1.698660284564638
Energy: 1.3541045051388525
Energy: 1.698660284564638
Energy: 1.3604153518028455
Energy: 1.6374425896688594
Energy: 1.3719356557798619
Energy: 1.6374425896688594
Energy: 1.3835901819321232
Energy: 1.632613784997931
Energy: 1.3721059645669682
Energy: 1.632613784997931
Energy: 1.372766771376024
Energy: 1.5534030456660266
Energy: 1.3552598224473484
Energy: 1.5534030456660266
Energy: 1.442188024494483
Energy: 1.3731200983958096
Energy: 1.3749121184129667
Energy: 1.3731200983958096
Energy: 1.3450429358029625
Energy: 1.6338571650447178
Energy: 1.3690797301176176
Energy: 1.6338571650447178
Energy: 1.3724219471867825
Energy: 1.3838372946645798
Energy: 1.3818543182421557
Energy: 1.3838372946645798
Energy: 1.3346099316099593
Energy: 1.698927813553096
Energy: 1.3340982459111703
Energy: 1.698927813553096
Energy: 1.38152541170541
Energy: 1.5325259865718797
Energy: 1.3470617306106973
Energy: 1.5325259865729426
Energy: 1.3551570772314725
Energy: 1.5517471293726095
Energy: 1.3821892329557484
Energy: 1.5517471293726095
Energy: 1.375236640591686
Energy: 1.6994944115480477
Energy: 1.3750918163642842
Energy: 1.6994944115480477
Energy: 1.4013101890882174
Energy: 1.509322246995379
Energy: 1.371867942607766
Energy: 1.509322246995379
Energy: 1.4377677241536626
Energy: 1.6331695498909549
Energy: 1.3574249992852274
Energy: 1.6331695498909549
Energy: 1.3735849088059517
Energy: 1.5322001522569257
Energy: 1.3721957248751386
Energy: 1.5322001522569257
Energy: 1.3503226544026337
Energy: 1.6995072526580082
Energy: 1.3786264134745325
Energy: 1.6995072526580082
Energy: 1.3726678687178377
Energy: 1.5530090518789186
Energy: 1.3800103100204693
Energy: 1.5530090518789186

minimum gb energy = 1.3340982459111703 eV
minimum distance =  2.18129324701316 Angstroms
sigma value = 9


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

Energy: 1.4856147878701158
Energy: 1.4762068410987506
Energy: 1.5844501813472514
Energy: 1.4762068410987506
Energy: 1.4847070844525907
Energy: 1.5512121051252055
Energy: 1.418864171891609
Energy: 1.5512121051252055
Energy: 1.3803073321503014
Energy: 1.452181138244475
Energy: 1.4113002378649215
Energy: 1.452181138244475
Energy: 1.4515741628420051
Energy: 1.6234607516264248
Energy: 1.4367252080048205
Energy: 1.6234607516264248
Energy: 1.6643928582886027
Energy: 1.547865804613545
Energy: 1.4133607297693263
Energy: 1.547865804613545
Energy: 1.3632728669997523
Energy: 1.4533691766777599
Energy: 1.4363903231474375
Energy: 1.4533691766788983
Energy: 1.4589018377505287
Energy: 1.5587496407923944
Energy: 1.437180251966756
Energy: 1.5587496407923944
Energy: 1.5869750861485907
Energy: 1.4522755505736304
Energy: 1.4225143896269419
Energy: 1.4522755505736304
Energy: 1.4579916303074472
Energy: 1.550820955341616
Energy: 1.4805083041738047
Energy: 1.550820955341616
Energy: 1.453641659946494
Energy: 1.452753672797896
Energy: 1.4362461202666152
Energy: 1.4527536727991643
Energy: 1.4085133935666923
Energy: 1.5550713992292355
Energy: 1.4212861189767787
Energy: 1.5550713992292355
Energy: 1.4512581633967698
Energy: 1.5688388344278632
Energy: 1.436456627306362
Energy: 1.5688388344278632
Energy: 1.3634990694582423
Energy: 1.452642057243259
Energy: 1.3865605746205432
Energy: 1.452642057243259
Energy: 1.5455694257925443
Energy: 1.4523088339273293
Energy: 1.4165861024894117
Energy: 1.4523088339260612
Energy: 1.36352585248705
Energy: 1.4524122087428217
Energy: 1.586277079636248
Energy: 1.4524122087428217
Energy: 1.4512587314852827
Energy: 1.5687085225446176
Energy: 1.4363856574686245
Energy: 1.5687085225446176
Energy: 1.408296507144951
Energy: 1.5553275980400312
Energy: 1.411247642125666
Energy: 1.5553275980400312
Energy: 1.4541027061173473
Energy: 1.4511168215175134
Energy: 1.4363263158477853
Energy: 1.4511168215175134
Energy: 1.4580497823394936
Energy: 1.5511420902886541
Energy: 1.413012970096725
Energy: 1.5511420902886541
Energy: 1.5869477572293267
Energy: 1.4522673376774506
Energy: 1.4224502512685648
Energy: 1.4522673376774506
Energy: 1.4591102745779512
Energy: 1.5587514614536009
Energy: 1.437418464330658
Energy: 1.5587514614536009

minimum gb energy = 1.3632728669997523 eV
minimum distance =  2.19945380467213 Angstroms
sigma value = 25


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

Energy: 1.4553476740783804
Energy: 1.6888080444394913
Energy: 1.3750444366777408
Energy: 1.6888080444394913
Energy: 1.4130106314271071
Energy: 1.4750557913591598
Energy: 1.430179958504573
Energy: 1.4750557913450442
Energy: 1.3801985602933118
Energy: 1.6411967439889248
Energy: 1.3795344699836054
Energy: 1.6411967439889248
Energy: 1.4551522050694727
Energy: 1.5540653517508989
Energy: 1.6808277504787377
Energy: 1.5540653517524674
Energy: 1.456931975605628
Energy: 1.4390175322147436
Energy: 1.4737522720885585
Energy: 1.4390175322147436
Energy: 1.3854325883400942
Energy: 1.6171099337852415
Energy: 1.3816327754929352
Energy: 1.6171099337852415
Energy: 1.4707843180231426
Energy: 1.5555990937596582
Energy: 1.4278671433891967
Energy: 1.5555990937596582
Energy: 1.4167402291154816
Energy: 1.6848721990789484
Energy: 1.4553076318496552
Energy: 1.6848721990773796
Energy: 1.3802014364094726
Energy: 1.4699149018274484
Energy: 1.4428314643300908
Energy: 1.4699149018274484
Energy: 1.7447633844268355
Energy: 1.6104168674149328
Energy: 1.3819011950344342
Energy: 1.6104168674133645
Energy: 1.4270408951718458
Energy: 1.587039490304856
Energy: 1.45657409003814
Energy: 1.587039490304856
Energy: 1.4299686720780296
Energy: 1.4803465353049403
Energy: 1.493250222112493
Energy: 1.4803465353049403
Energy: 1.6425376970751169
Energy: 1.5098779733974759
Energy: 1.3793756818582488
Energy: 1.5098779733959073
Energy: 1.4469146809949314
Energy: 1.4532798326988807
Energy: 1.4553540145729014
Energy: 1.4532798326988807
Energy: 1.4505285800431456
Energy: 1.4487358880712322
Energy: 1.4563663558586963
Energy: 1.4487358878564494
Energy: 1.4399498280010836
Energy: 1.5089577912810497
Energy: 1.3857403551119725
Energy: 1.5089577912810497
Energy: 1.4261187512164148
Energy: 1.5413202100365715
Energy: 1.73287925726099
Energy: 1.5413202100365715

minimum gb energy = 1.3750444366777408 eV
minimum distance =  2.19468395453185 Angstroms
sigma value = 17


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

Energy: 1.4882658253443315
Energy: 1.4876465732241786
Energy: 1.7479183145529162
Energy: 1.4876465732241786
Energy: 1.5280692775710494
Energy: 1.5096956417344998
Energy: 1.4197509265820256
Energy: 1.5096956417344998
Energy: 1.511765137593738
Energy: 1.4457720941082137
Energy: 1.3796815558479096
Energy: 1.4457720941073255
Energy: 1.3828236086921357
Energy: 1.4583449938522983
Energy: 1.5631715885116895
Energy: 1.4583449938522983
Energy: 1.5650997792965546
Energy: 1.5262864807587104
Energy: 1.4279625398985403
Energy: 1.5262864807587104
Energy: 1.4152764151958084
Energy: 1.459146390303769
Energy: 1.5002988672825721
Energy: 1.459146390303769
Energy: 1.3878494154172356
Energy: 1.5367255566471532
Energy: 1.4344951266484331
Energy: 1.5367255566471532
Energy: 1.503953016551522
Energy: 1.4595073878412375
Energy: 1.411513058762372
Energy: 1.4595073878394609
Energy: 1.4179458504186195
Energy: 1.5322675663508636
Energy: 1.4571127995512037
Energy: 1.5322675663508636
Energy: 1.5339250800221331
Energy: 1.491929806835699
Energy: 1.3814534031214478
Energy: 1.491929806835699
Energy: 1.3872445835946263
Energy: 1.4580888298514154
Energy: 1.5143619554391667
Energy: 1.4580888298514154
Energy: 1.4128582372759486
Energy: 1.5173050563041746
Energy: 1.412624270295921
Energy: 1.5173050563041746
Energy: 1.5139537206938034
Energy: 1.4577766017371072
Energy: 1.4622865649491161
Energy: 1.4577766017371072
Energy: 1.380267874716484
Energy: 1.5698254892020407
Energy: 1.528842823923869
Energy: 1.5698254892020407
Energy: 1.5987474993972928
Energy: 1.5344167819652865
Energy: 1.416421068773713
Energy: 1.5344167819652865
Energy: 1.5145788887567517
Energy: 1.4604975677500358
Energy: 1.5054782150415351
Energy: 1.4604975677500358
Energy: 1.4205756829490472
Energy: 1.5199952979090376
Energy: 1.68823138501492
Energy: 1.5199952979090376
Energy: 1.5132660846815986
Energy: 1.4318679818603384
Energy: 1.414553229368137
Energy: 1.4318679818603384
Energy: 1.430811974666832
Energy: 1.544992434056074
Energy: 1.475181785588145
Energy: 1.544992434056074
Energy: 1.4335049938947912
Energy: 1.4590646024851373
Energy: 1.3843652208025432
Energy: 1.4590646024851373
Energy: 1.4666329574986272
Energy: 1.4536928835455925
Energy: 1.5125819091412238
Energy: 1.4536928835455925
Energy: 1.4322785306706727
Energy: 1.5626029094336762
Energy: 1.53282790655051
Energy: 1.5626029094336762
Energy: 1.6448971171169315
Energy: 1.4598393228808457
Energy: 1.38018199834873
Energy: 1.4598393229474258
Energy: 1.4633697086089992
Energy: 1.5391966573268272
Energy: 1.5119595086985238
Energy: 1.5391966573277154
Energy: 1.4596607891871243
Energy: 1.44582689575235
Energy: 1.5115988383500902
Energy: 1.44582689575235
Energy: 1.6619519179421367
Energy: 1.4605007909916607
Energy: 1.3820751683127481
Energy: 1.4605007909916607
Energy: 1.432747375577828
Energy: 1.5762556433165111
Energy: 1.730974438562045
Energy: 1.5762556433165111
Energy: 1.5048465110967428
Energy: 1.4585664443000794
Energy: 1.512673098282952
Energy: 1.4585664443000794
Energy: 1.7256888023462738
Energy: 1.458369488250467
Energy: 1.3858192089956847
Energy: 1.458369488250467
Energy: 1.4120850230487543
Energy: 1.5339505664927335
Energy: 1.50838287184083
Energy: 1.5339505664927335

minimum gb energy = 1.3796815558479096 eV
minimum distance =  2.15428577405764 Angstroms
sigma value = 53


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

Energy: 1.2534847221376524
Energy: 1.2522990538388141
Energy: 1.49906516991419
Energy: 1.2522990538388141
Energy: 1.6877491375250868
Energy: 1.3650984363447267
Energy: 1.3854131071691511
Energy: 1.3650984363447267
Energy: 1.255254681878127
Energy: 1.252235948389553
Energy: 1.475656281538825
Energy: 1.252235948389553
Energy: 1.2552570925864814
Energy: 1.25193126449055
Energy: 1.2936385319400672
Energy: 1.25193126449055
Energy: 1.6878871895704664
Energy: 1.3649472643454783
Energy: 1.4240303791150046
Energy: 1.3649472643454783
Energy: 1.2534847221376524
Energy: 1.2522990538388141
Energy: 1.6379866359074833
Energy: 1.2522990538388141
Energy: 1.6877491375250868
Energy: 1.3650984363447267
Energy: 1.476271605079107
Energy: 1.3650984363447267
Energy: 1.255254681878127
Energy: 1.252235948389553
Energy: 1.475656281538825
Energy: 1.252235948389553
Energy: 1.2552570925864814
Energy: 1.25193126449055
Energy: 1.3847914440921902
Energy: 1.25193126449055
Energy: 1.6878871895704664
Energy: 1.3649472643454783
Energy: 1.5079356272432305
Energy: 1.3649472643454783
Energy: 1.2534847221376524
Energy: 1.2522990538388141
Energy: 1.7766462647298795
Energy: 1.2522990538388141
Energy: 1.6877491375250868
Energy: 1.3650984363447267
Energy: 1.476271605079107
Energy: 1.3650984363447267
Energy: 1.255254681878127
Energy: 1.252235948389553
Energy: 1.475656281538825
Energy: 1.2522359483915981

minimum gb energy = 1.25193126449055 eV
minimum distance =  2.25324614010965 Angstroms
sigma value = 9


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

Energy: 1.495755051293432
Energy: 1.6345215428037763
Energy: 1.8673516891965622
Energy: 1.6345215428037763
Energy: 1.6151133115521923
Energy: 1.469778372405779
Energy: 1.4029587142698323
Energy: 1.469778372405779
Energy: 1.339360126729873
Energy: 1.3990918354323536
Energy: 1.3901521892110396
Energy: 1.3990918354315969
Energy: 1.4924664880817258
Energy: 1.6641316542936522
Energy: 1.4044749643779468
Energy: 1.6641316542936522
Energy: 1.5976038958704626
Energy: 1.4996230647681725
Energy: 1.3832078411678947
Energy: 1.4996230647681725
Energy: 1.4612765665507261
Energy: 1.4625814231970107
Energy: 1.493317930093381
Energy: 1.4625814231970107
Energy: 1.7739203847347245
Energy: 1.487577466374353
Energy: 1.368415679406808
Energy: 1.487577466374353
Energy: 1.3593911894621116
Energy: 1.766704846342111
Energy: 1.4843333274047645
Energy: 1.766704846342111
Energy: 1.3431000299439366
Energy: 1.776617065196123
Energy: 1.460526275434723
Energy: 1.7766170651953663
Energy: 1.3840781355319285
Energy: 1.459553499442949
Energy: 1.4135282297435197
Energy: 1.459553499442949
Energy: 1.3800604135005716
Energy: 1.7634137077744017
Energy: 1.674669945998335
Energy: 1.7634137077744017
Energy: 1.5410979035119377
Energy: 1.6707467205666924
Energy: 1.3488995265289483
Energy: 1.6707467205666924
Energy: 1.358984614382749
Energy: 1.5832247238883312
Energy: 1.6470132471327918
Energy: 1.5832247238883312
Energy: 1.5007049251696205
Energy: 1.7645752799840684
Energy: 1.435651913477635
Energy: 1.7645752799840684
Energy: 1.3636793221245858
Energy: 1.554423142812127
Energy: 1.512589826839592
Energy: 1.554423142812127
Energy: 1.3647870617138214
Energy: 1.790901855037962
Energy: 1.4527114037169508
Energy: 1.790901855037962
Energy: 1.46568052128532
Energy: 1.6376198059594869
Energy: 1.363252905406523
Energy: 1.6376198059594869
Energy: 1.3852474986796448
Energy: 1.4863626248925943
Energy: 1.5950459316329015
Energy: 1.4863626248925943
Energy: 1.531021094651776
Energy: 1.4984203820960225
Energy: 1.458599583558015
Energy: 1.4984203820960225
Energy: 1.3482695969676792
Energy: 1.4915959529986316
Energy: 1.518422592709743
Energy: 1.4915959529986316
Energy: 1.4668459611397349
Energy: 1.7488130059347267
Energy: 1.4653878817486166
Energy: 1.7488130059347267
Energy: 1.4840393636581095
Energy: 1.4632667815913347
Energy: 1.3404721782342728
Energy: 1.4632667815913347
Energy: 1.4634736233592496
Energy: 1.5582641532652006
Energy: 1.3875495110371534
Energy: 1.5582641532652006
Energy: 1.6481140806872157
Energy: 1.7282300124692764
Energy: 1.3771225668592406
Energy: 1.7282300124692764
Energy: 1.3715005162899057
Energy: 1.5820765483389423
Energy: 1.7580203663657212
Energy: 1.5820765483389423
Energy: 1.3769254661138117
Energy: 1.3991648037497315
Energy: 1.3557253218876422
Energy: 1.3991648037497315
Energy: 1.5057774114534939
Energy: 1.6529101825033237
Energy: 1.4913767969794158
Energy: 1.6529101825033237
Energy: 1.4399275223224204
Energy: 1.598608691410826
Energy: 1.4940585377788584
Energy: 1.598608691410826
Energy: 1.429472843144868
Energy: 1.3983205346711134
Energy: 1.3542560634809986
Energy: 1.3983205346711134
Energy: 1.4016917069439088
Energy: 1.574608333911666
Energy: 1.7146678107536995
Energy: 1.574608333911666
Energy: 1.610224118524197
Energy: 1.765097609918864
Energy: 1.3759572240267124
Energy: 1.765097609918864
Energy: 1.4427759666597804
Energy: 1.5152150227908956
Energy: 1.38387418664189
Energy: 1.5152150227908956
Energy: 1.4167220654365646
Energy: 1.5519356832210143
Energy: 1.339530972974624
Energy: 1.5519356832210143
Energy: 1.46353207893387
Energy: 1.7586894974324896
Energy: 1.4596160390973862
Energy: 1.7586894974324896
Energy: 1.364617747043257
Energy: 1.7827400802789148
Energy: 1.7474575761313917
Energy: 1.7827400802789148

minimum gb energy = 1.339360126729873 eV
minimum distance =  2.17571461256021 Angstroms
sigma value = 73


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

Energy: 1.5202444140466873
Energy: 1.522360293504035
Energy: 1.7072804122513958
Energy: 1.5223602935052356
Energy: 1.5014535094804429
Energy: 1.5604382860631385
Energy: 1.3732154218908532
Energy: 1.5604382860631385
Energy: 1.3744711482143182
Energy: 1.3759395977418776
Energy: 1.3972807488105539
Energy: 1.3759395977418776
Energy: 1.3312244163312503
Energy: 1.676401086102466
Energy: 1.4092142571611292
Energy: 1.676401086102466
Energy: 1.4212700676708432
Energy: 1.561318157812761
Energy: 1.4000996846716478
Energy: 1.561318157812761
Energy: 1.4121508520947719
Energy: 1.3768669112420646
Energy: 1.578209402927459
Energy: 1.3768669112420646
Energy: 1.7542100646316863
Energy: 1.6346835396707857
Energy: 1.3726707659018211
Energy: 1.6346835396707857
Energy: 1.3591910569353478
Energy: 1.428148408685502
Energy: 1.6523079754180456
Energy: 1.428148408685502
Energy: 1.6547949151984707
Energy: 1.4200903999373018
Energy: 1.4387523984237474
Energy: 1.4200903999373018
Energy: 1.3775357154054053
Energy: 1.501789086330228
Energy: 1.3778626959829399
Energy: 1.501789086330228
Energy: 1.3562532360309492
Energy: 1.419845150895077
Energy: 1.5890306998018047
Energy: 1.419845150895077
Energy: 1.549768815900622
Energy: 1.5242297851590048
Energy: 1.3317465747865054
Energy: 1.5242297851590048
Energy: 1.4099225802127822
Energy: 1.5000324186410618
Energy: 1.6430809079797841
Energy: 1.5000324186410618
Energy: 1.6218656592350953
Energy: 1.608453537277729
Energy: 1.4143028664865847
Energy: 1.608453537277729
Energy: 1.3801673693810037
Energy: 1.6824458851499413
Energy: 1.620193063909339
Energy: 1.6824458851499413
Energy: 1.5888112268999208
Energy: 1.4357356924108684
Energy: 1.3602517145777193
Energy: 1.4357356924108684
Energy: 1.4792668587494444
Energy: 1.480776543678245
Energy: 1.375554883445442
Energy: 1.480776543678245
Energy: 1.4772019209208085
Energy: 1.6409744492655882
Energy: 1.3749812978870064
Energy: 1.6409744492655882
Energy: 1.366704651368899
Energy: 1.4292216080690028
Energy: 1.3568284766310943
Energy: 1.4292216080690028
Energy: 1.3732317958423963
Energy: 1.5603518628036035
Energy: 1.7966892781750068
Energy: 1.560351862800001
Energy: 1.7153145746461527
Energy: 1.3816570645041781
Energy: 1.4132224758536116
Energy: 1.3816570645041781
Energy: 1.4339728767624647
Energy: 1.5708216840008136
Energy: 1.5731658977186176
Energy: 1.5708216840008136

minimum gb energy = 1.3312244163312503 eV
minimum distance =  2.21086713044882 Angstroms
sigma value = 7


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

Energy: 1.551805665299577
Energy: 1.538174422265874
Energy: 1.585225377201049
Energy: 1.538174422265874
Energy: 1.668749558312032
Energy: 1.5096715499998912
Energy: 1.4112437669411566
Energy: 1.5096715499998912
Energy: 1.3635890535766455
Energy: 1.4635643456079606
Energy: 1.4091661184675413
Energy: 1.4635643456079606
Energy: 1.3727061043902382
Energy: 1.6046381753802919
Energy: 1.4221145150641166
Energy: 1.6046381753802919
Energy: 1.3770497285980283
Energy: 1.5103044414054543
Energy: 1.405181551877074
Energy: 1.5103044414054543
Energy: 1.3935479142365343
Energy: 1.4530390106815028
Energy: 1.5510328248718601
Energy: 1.4530390106815028
Energy: 1.5648789286047602
Energy: 1.5604908399914272
Energy: 1.389814370143936
Energy: 1.5604908399914272
Energy: 1.3933623260761956
Energy: 1.4649914336375014
Energy: 1.7773492424187063
Energy: 1.4649914336375014
Energy: 1.5402901138309932
Energy: 1.6034887349966123
Energy: 1.4263860348210962
Energy: 1.6034887349966123
Energy: 1.372086848922271
Energy: 1.5458345991150293
Energy: 1.582772175844503
Energy: 1.5458345991150293
Energy: 1.366977947977713
Energy: 1.4126272484462237
Energy: 1.389056972868295
Energy: 1.4126272484462237
Energy: 1.4174267814348314
Energy: 1.6051052681611064
Energy: 1.3798092681951533
Energy: 1.6051052681611064
Energy: 1.4123034726681511
Energy: 1.6255009742085365
Energy: 1.384049205472275
Energy: 1.6255009742076874
Energy: 1.4429155694354423
Energy: 1.441046607459679
Energy: 1.3834242017564038
Energy: 1.441046607459679
Energy: 1.38201270062056
Energy: 1.649244693431317
Energy: 1.6205664859704951
Energy: 1.649244693431317
Energy: 1.6822033248917956
Energy: 1.510390950360677
Energy: 1.4217750678056926
Energy: 1.510390950360677
Energy: 1.397406218076468
Energy: 1.5437426698745205
Energy: 1.4841482549194114
Energy: 1.5437426698745205
Energy: 1.4049093312946328
Energy: 1.68539908798819
Energy: 1.3791749745339872
Energy: 1.68539908798819
Energy: 1.3989691333189194
Energy: 1.4127708617099621
Energy: 1.3844899345599144
Energy: 1.4127708617099621
Energy: 1.3805049075069407
Energy: 1.5316022726338594
Energy: 1.4466500908215896
Energy: 1.5316022726338594
Energy: 1.3664225709994335
Energy: 1.4139768129040613
Energy: 1.4265186014135085
Energy: 1.4139768129049104
Energy: 1.3679720094430672
Energy: 1.4652075941700073
Energy: 1.5232142440846763
Energy: 1.4652075941700073
Energy: 1.6821414490595117
Energy: 1.5150000875646668
Energy: 1.3908316039156963
Energy: 1.5150000875646668
Energy: 1.5362556943690318
Energy: 1.5329977566237714
Energy: 1.6023194230427995
Energy: 1.5329977566237714
Energy: 1.4892981493759923
Energy: 1.511059167064603
Energy: 1.3849492329203432
Energy: 1.511059167064603
Energy: 1.372813880979558
Energy: 1.449230931465698
Energy: 1.3825127586716544
Energy: 1.449230931465698
Energy: 1.3636770801225082
Energy: 1.5994917393542525
Energy: 1.515914369635722
Energy: 1.5994917393542525
Energy: 1.4361261707663626
Energy: 1.5209112132348406
Energy: 1.4404917169299147
Energy: 1.5209112132348406
Energy: 1.3890580623564837
Energy: 1.4626552211036343
Energy: 1.5791159415069327
Energy: 1.4626552211036343
Energy: 1.5952022263749492
Energy: 1.434990894808871
Energy: 1.4105115103842598
Energy: 1.434990894808871
Energy: 1.3890447803512818
Energy: 1.4632224441134432
Energy: 1.5511791087115703
Energy: 1.4632224441134432

minimum gb energy = 1.3635890535766455 eV
minimum distance =  2.1935238570257 Angstroms
sigma value = 29


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

Energy: 1.3764826441504605
Energy: 1.3297191965402182
Energy: 1.3940996264969543
Energy: 1.3297191965402182
Energy: 1.2960936669024161
Energy: 1.3721797488916303
Energy: 1.3738402990114067
Energy: 1.3721797488916303
Energy: 1.2968386278187674
Energy: 1.4812791759242954
Energy: 1.3953169164790438
Energy: 1.4812791759242954
Energy: 1.3769575550360564
Energy: 1.2981181633805243
Energy: 1.375496759211512
Energy: 1.2981181633834165
Energy: 1.3742766098369206
Energy: 1.4220624671154931
Energy: 1.3947243964618763
Energy: 1.4220624671154931
Energy: 1.2730206855119006
Energy: 1.4786726704165638
Energy: 1.2731818788122629
Energy: 1.4786726704165638
Energy: 1.29716059275315
Energy: 1.422518681751252
Energy: 1.3742047341296677
Energy: 1.422518681751252
Energy: 1.376102421924139
Energy: 1.2971716655230798
Energy: 1.377074551101004
Energy: 1.2971716655230798
Energy: 1.3952983517020061
Energy: 1.48144481321404
Energy: 1.2988492010523143
Energy: 1.48144481321404

minimum gb energy = 1.2730206855119006 eV
minimum distance =  2.26172579220077 Angstroms
sigma value = 5


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

Energy: 1.4275723914820209
Energy: 1.4254526151272293
Energy: 1.6388947216483871
Energy: 1.4254526151272293
Energy: 1.3569080033453147
Energy: 1.3633511315513367
Energy: 1.32095957541476
Energy: 1.3633511315513367
Energy: 1.3277644715835155
Energy: 1.4176239025880555
Energy: 1.5762104067765406
Energy: 1.4176239025880555
Energy: 1.3434906545440175
Energy: 1.482381627829144
Energy: 1.3839107818095526
Energy: 1.482381627829144
Energy: 1.3496286966807574
Energy: 1.4934813351918617
Energy: 1.542306104731356
Energy: 1.4934813351918617
Energy: 1.3945209138702817
Energy: 1.4405457728404112
Energy: 1.3534974867204985
Energy: 1.4405457728404112
Energy: 1.3562170219274312
Energy: 1.5087032737746364
Energy: 1.359329716026266
Energy: 1.5087032737738342
Energy: 1.3538789586893405
Energy: 1.4450459367962352
Energy: 1.3213328250275023
Energy: 1.4450459367962352
Energy: 1.3895276619820103
Energy: 1.488296388175998
Energy: 1.320061368862877
Energy: 1.488296388175998
Energy: 1.3854714987797965
Energy: 1.4875330967492058
Energy: 1.340086517658241
Energy: 1.4875330967492058
Energy: 1.353584076187842
Energy: 1.4864224565960877
Energy: 1.327377426489034
Energy: 1.4864224565960877
Energy: 1.3197100902150072
Energy: 1.5516321019392532
Energy: 1.5232645543702457
Energy: 1.5516321019392532
Energy: 1.4206208718939226
Energy: 1.4375572318386967
Energy: 1.4158876046847064
Energy: 1.4375572318386967
Energy: 1.3490624283225825
Energy: 1.4366483628006952
Energy: 1.4383426505651185
Energy: 1.4366483628006952
Energy: 1.4997570992663898
Energy: 1.3478152388022573
Energy: 1.3272316121308734
Energy: 1.3478152388022573
Energy: 1.3814114648781686
Energy: 1.400916019270763
Energy: 1.4856671681248568
Energy: 1.400916019270763
Energy: 1.5457487642697485
Energy: 1.3632120551285585
Energy: 1.3339817000434424
Energy: 1.3632120551285585
Energy: 1.3614263890769485
Energy: 1.437248868127637
Energy: 1.5333160849232748
Energy: 1.437248868127637
Energy: 1.3632773256447546
Energy: 1.5115849198661528
Energy: 1.3531415237734012
Energy: 1.5115849198661528
Energy: 1.3205410750610047
Energy: 1.574575915929322
Energy: 1.4324047108810118
Energy: 1.5745759159301242
Energy: 1.3126305054348952
Energy: 1.480358214724123
Energy: 1.3843838795462724
Energy: 1.480358214724925
Energy: 1.3506512460795301
Energy: 1.485388229742868
Energy: 1.3915566367268914
Energy: 1.485388229742868
Energy: 1.3292284250763216
Energy: 1.481551165277492
Energy: 1.3155727995632849
Energy: 1.481551165277492
Energy: 1.534360681968632
Energy: 1.440245481351417
Energy: 1.3206909470276833
Energy: 1.440245481351417
Energy: 1.533773376519426
Energy: 1.4053003393631025
Energy: 1.3223284479139172
Energy: 1.4053003393631025
Energy: 1.4061707151475076
Energy: 1.436954537188069
Energy: 1.3488238868710218
Energy: 1.436954537188069
Energy: 1.3333400052054387
Energy: 1.3304685366195206
Energy: 1.4414847622281022
Energy: 1.3304685366195206
Energy: 1.4037633425406193
Energy: 1.4879027008347836
Energy: 1.3814716770315587
Energy: 1.4879027008347836
Energy: 1.3196032073269361
Energy: 1.3567627584374966
Energy: 1.385541084161639
Energy: 1.3567627584374966
Energy: 1.4745575831831346
Energy: 1.4371346930372164
Energy: 1.3598726633410465
Energy: 1.4371346930372164
Energy: 1.345851191186171
Energy: 1.4104793432553238
Energy: 1.493109640148976
Energy: 1.4104793432545217
Energy: 1.5436458261899777
Energy: 1.575425065257022
Energy: 1.3199618250622267
Energy: 1.575425065257022
Energy: 1.3826944642946106
Energy: 1.4858267319215963
Energy: 1.317682489273777
Energy: 1.4858267319215963

minimum gb energy = 1.3126305054348952 eV
minimum distance =  2.21945952025926 Angstroms
sigma value = 1


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

Energy: 1.5542700370498408
Energy: 1.3949533343912615
Energy: 1.5496897449448912
Energy: 1.3949533343912615
Energy: 1.4335369928379362
Energy: 1.4759325541603296
Energy: 1.302905178642404
Energy: 1.4759325541603296
Energy: 1.2995621792544396
Energy: 1.3982398627926445
Energy: 1.5229780686874461
Energy: 1.3982398627926445
Energy: 1.3167696660345742
Energy: 1.4747602209536268
Energy: 1.3478653128372604
Energy: 1.4747602209536268
Energy: 1.2649616075095864
Energy: 1.5470730790903502
Energy: 1.5674887217641453
Energy: 1.5470730790903502
Energy: 1.266469984972373
Energy: 1.403331677919053
Energy: 1.3490116537732642
Energy: 1.403331677919053
Energy: 1.3061184583120367
Energy: 1.5500135755310265
Energy: 1.3854366927060104
Energy: 1.5500135755310265
Energy: 1.306290593365411
Energy: 1.4046765995199755
Energy: 1.3393968903609146
Energy: 1.4046765995199755
Energy: 1.3982341715538005
Energy: 1.4025633798307262
Energy: 1.3340338374469185
Energy: 1.4025633798307262
Energy: 1.398190823771215
Energy: 1.4997505635271644
Energy: 1.3548222621856802
Energy: 1.4997505635271644
Energy: 1.306236619965396
Energy: 1.4042362896931742
Energy: 1.3336684044992173
Energy: 1.4042362896931742
Energy: 1.3057192162311324
Energy: 1.5455227888990644
Energy: 1.3883410424601963
Energy: 1.5455227888990644
Energy: 1.2665846461217767
Energy: 1.4024466916368241
Energy: 1.348327544386157
Energy: 1.4024466916368241
Energy: 1.26519379611208
Energy: 1.5064126207663577
Energy: 1.5227490362519538
Energy: 1.5064126207663577
Energy: 1.3686371181459125
Energy: 1.4774595702038076
Energy: 1.3478090897446717
Energy: 1.4774595702038076
Energy: 1.2994945875253943
Energy: 1.3984833477392287
Energy: 1.6004951776057432
Energy: 1.3984833477392287
Energy: 1.48741312554218
Energy: 1.476909076233556
Energy: 1.303476350908442
Energy: 1.476909076233556
Energy: 1.5542700370498408
Energy: 1.3949533343912615
Energy: 1.5496897449448912
Energy: 1.3949533343912615
Energy: 1.4335369928390453
Energy: 1.4759325541603296
Energy: 1.302905178642404
Energy: 1.4759325541603296
Energy: 1.2995621792544396
Energy: 1.3982398627926445
Energy: 1.5229780686874461
Energy: 1.3982398627926445
Energy: 1.3167696660345742
Energy: 1.4747602209536268
Energy: 1.3478653128372604
Energy: 1.4747602209536268
Energy: 1.2649616075095864
Energy: 1.5470730790903502
Energy: 1.5674887217641453
Energy: 1.5470730790903502
Energy: 1.266469984972373
Energy: 1.403331677919053
Energy: 1.3490116537732642
Energy: 1.403331677919053
Energy: 1.3061184583120367
Energy: 1.5500135755321356
Energy: 1.3854366927060104
Energy: 1.5500135755321356

minimum gb energy = 1.2649616075095864 eV
minimum distance =  2.23627923937336 Angstroms
sigma value = 17


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

Energy: 1.3901640849000036
Energy: 1.389713524159525
Energy: 1.672388106003494
Energy: 1.389713524159525
Energy: 1.5290237738788812
Energy: 1.3614176697365965
Energy: 1.3070174971433066
Energy: 1.3614176697359113
Energy: 1.3129070644551424
Energy: 1.3663483941108547
Energy: 1.592446791203214
Energy: 1.3663483941108547
Energy: 1.3818735316316635
Energy: 1.302803109651155
Energy: 1.3023839743913277
Energy: 1.3028031096504697
Energy: 1.2981305638979372
Energy: 1.4840126490451244
Energy: 1.5652151112919694
Energy: 1.4840126490451244
Energy: 1.2822108914645256
Energy: 1.3285594600822854
Energy: 1.328889587571025
Energy: 1.3285594600816
Energy: 1.3145389540367378
Energy: 1.4533159328815146
Energy: 1.3973373999507412
Energy: 1.4533159328815146
Energy: 1.2855123825237662
Energy: 1.428474724324969
Energy: 1.2901499986173914
Energy: 1.428474724324969
Energy: 1.3924449972587394
Energy: 1.4215520707646072
Energy: 1.331858440485053
Energy: 1.4215520707646072
Energy: 1.4034548383927017
Energy: 1.4178245005700834
Energy: 1.3140510370912568
Energy: 1.4178245005700834
Energy: 1.3124510879152842
Energy: 1.379869325750543
Energy: 1.2895229259839467
Energy: 1.379869325750543
Energy: 1.3177591260636548
Energy: 1.4337753268233069
Energy: 1.2962317582418528
Energy: 1.4337753268233069
Energy: 1.282442928428946
Energy: 1.4058875193954925
Energy: 1.30304693883852
Energy: 1.4058875193954925
Energy: 1.299047858938026
Energy: 1.4820504421529281
Energy: 1.3914236097949602
Energy: 1.4820504421536134
Energy: 1.2881592423364325
Energy: 1.314785101329014
Energy: 1.4015382664073261
Energy: 1.314785101329014
Energy: 1.3127080844794632
Energy: 1.4090004974179455
Energy: 1.5592643030031175
Energy: 1.4090004974179455
Energy: 1.328471381915848
Energy: 1.315119801184412
Energy: 1.3025727223482964
Energy: 1.315119801184412
Energy: 1.299570777822661
Energy: 1.3903867674462722
Energy: 1.54330971217015
Energy: 1.3903867674455868
Energy: 1.465082983352788
Energy: 1.4395440735698888
Energy: 1.3117812138879408
Energy: 1.4395440735698888
Energy: 1.327386330557558
Energy: 1.3667026252376642
Energy: 1.3848980492609155
Energy: 1.3667026252376642
Energy: 1.4897767688810069
Energy: 1.3447798768807717
Energy: 1.3020977353653955
Energy: 1.3447798768807717
Energy: 1.3008587237569522
Energy: 1.436357661157296
Energy: 1.476661970049313
Energy: 1.436357661157296
Energy: 1.5267587725454475
Energy: 1.3281989643763623
Energy: 1.3275422666699772
Energy: 1.3281989643763623
Energy: 1.3127393904164266
Energy: 1.4565567385320644
Energy: 1.517294040707548
Energy: 1.4565567385327498
Energy: 1.3550822561413736
Energy: 1.3909589363957147
Energy: 1.3002925228610893
Energy: 1.3909589363964001
Energy: 1.301431024026029
Energy: 1.4862997268531586
Energy: 1.3291832321729993
Energy: 1.4862997268531586
Energy: 1.4491977022191938
Energy: 1.409358323791849
Energy: 1.3134382076510072
Energy: 1.4093583237911635
Energy: 1.408201143135567
Energy: 1.5858092686564462
Energy: 1.2887774231176568
Energy: 1.5858092686564462
Energy: 1.3905797195047371
Energy: 1.4819690648068193
Energy: 1.2970317964324192
Energy: 1.4819690648068193
Energy: 1.3016385700964743
Energy: 1.4047389846071645
Energy: 1.3568340675139787
Energy: 1.4047389846071645
Energy: 1.3001826755355763
Energy: 1.4820044036825788
Energy: 1.3187495982386437
Energy: 1.4820044036825788
Energy: 1.2880830631000386
Energy: 1.3796847025083017
Energy: 1.307868150677974
Energy: 1.3796847025083017
Energy: 1.313489648699755
Energy: 1.4175486234032506
Energy: 1.4945863099014152
Energy: 1.4175486234032506
Energy: 1.3583488868202784
Energy: 1.6216231152169867
Energy: 1.3343117651471077
Energy: 1.6216231152176719
Energy: 1.2943225371130924
Energy: 1.3915273521864735
Energy: 1.3546598183320069
Energy: 1.3915273521864735
Energy: 1.3710575176867257
Energy: 1.455731089737974
Energy: 1.3111465520888588
Energy: 1.455731089737974
Energy: 1.3273993713862047
Energy: 1.3274537557745505
Energy: 1.4753756866062857
Energy: 1.3274537557745505
Energy: 1.5571855047482521
Energy: 1.4865661258224439
Energy: 1.3012434885124238
Energy: 1.4865661258224439

minimum gb energy = 1.2822108914645256 eV
minimum distance =  2.23007235134308 Angstroms
sigma value = 89


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

Energy: 1.2377141318922604
Energy: 1.2372784661418308
Energy: 1.649208513808311
Energy: 1.2372784661418308
Energy: 1.2392349274896426
Energy: 1.2935284528456643
Energy: 1.2590670300197921
Energy: 1.2935284528456643
Energy: 1.2554334877933766
Energy: 1.5013984658178325
Energy: 1.649020023514859
Energy: 1.5013984658178325
Energy: 1.2257783640477011
Energy: 1.2935558773215687
Energy: 1.2592007615563907
Energy: 1.2935558773215687
Energy: 1.2385380539096982
Energy: 1.3707069161131473
Energy: 1.2388052431065477
Energy: 1.3707069161131473
Energy: 1.2391906225204452
Energy: 1.2392271892777222
Energy: 1.244922268146012
Energy: 1.2392271892777222
Energy: 1.255671245011288
Energy: 1.5011243525174065
Energy: 1.240322903248723
Energy: 1.5011243525174065
Energy: 1.239425550960772
Energy: 1.5028683899526432
Energy: 1.259636399732545
Energy: 1.5028683899526432
Energy: 1.2383553001121463
Energy: 1.3714566648598678
Energy: 1.2273437781856547
Energy: 1.3714566648598678
Energy: 1.2938336870495601
Energy: 1.3677250013334619
Energy: 1.242124906885646
Energy: 1.3677250013334619
Energy: 1.2369020175242076
Energy: 1.2946861185516347
Energy: 1.2405716040384123
Energy: 1.2946861185516347
Energy: 1.2370665788775876
Energy: 1.5029193365295817
Energy: 1.2594932292434826
Energy: 1.5029193365295817
Energy: 1.23956106043958
Energy: 1.2414100162048154
Energy: 1.2263435916485557
Energy: 1.2414100162048154
Energy: 1.242256585388765
Energy: 1.3669207186028252
Energy: 1.242282070989834
Energy: 1.3669207186028252
Energy: 1.2357146124774605
Energy: 1.241414653382272
Energy: 1.2395797028563467
Energy: 1.241414653382272

minimum gb energy = 1.2257783640477011 eV
minimum distance =  2.26064644534478 Angstroms
sigma value = 13


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

Energy: 1.2532388006108837
Energy: 1.199435582057031
Energy: 1.6389700692530929
Energy: 1.199435582057031
Energy: 1.3783272338529133
Energy: 1.2370178661646987
Energy: 1.1876329115858002
Energy: 1.2370178661646987
Energy: 1.2012908220736762
Energy: 1.2001389210727427
Energy: 1.6351572917399824
Energy: 1.200138921071991
Energy: 1.2023993210791777
Energy: 1.2373500974124452
Energy: 1.1800669925176273
Energy: 1.2373500974124452
Energy: 1.2161695912298929
Energy: 1.2982274821765305
Energy: 1.2099818636594348
Energy: 1.2982274821772821
Energy: 1.5443548454054166
Energy: 1.2383412373819025
Energy: 1.217548980185851
Energy: 1.2383412373819025
Energy: 1.2163860459274174
Energy: 1.3033607527292337
Energy: 1.5253691218817784
Energy: 1.3033607527292337
Energy: 1.1720641514660644
Energy: 1.238147189121505
Energy: 1.2173718612638287
Energy: 1.238147189121505
Energy: 1.2162503281813946
Energy: 1.3026808521062647
Energy: 1.3681638188409808
Energy: 1.3026808521062647
Energy: 1.3760770765008832
Energy: 1.331065429037567
Energy: 1.1803821848058165
Energy: 1.331065429037567
Energy: 1.2163739570787628
Energy: 1.33278373083818
Energy: 1.182421405954037
Energy: 1.33278373083818
Energy: 1.5167942207397318
Energy: 1.331022708858787
Energy: 1.180064666703548
Energy: 1.331022708858787
Energy: 1.2682191789861441
Energy: 1.2254592043854255
Energy: 1.1821959961216568
Energy: 1.2254592043854255
Energy: 1.487953488323666
Energy: 1.3317669717434653
Energy: 1.1802850259183193
Energy: 1.3317669717434653
Energy: 1.2168702119823536
Energy: 1.1992339804071601
Energy: 1.1833776915570353
Energy: 1.199233980406408
Energy: 1.2142387580229332
Energy: 1.3316284146021888
Energy: 1.186644509040466
Energy: 1.3316284146021888
Energy: 1.216961332006643
Energy: 1.1991093611212196
Energy: 1.1870021632820325
Energy: 1.1991093611212196
Energy: 1.2052964747420503
Energy: 1.298483661901474
Energy: 1.2131766317075117
Energy: 1.298483661901474
Energy: 1.2175145250034052
Energy: 1.299296237627902
Energy: 1.2133286514536825
Energy: 1.299296237627902
Energy: 1.2170045298035739
Energy: 1.299156032765964
Energy: 1.213309241220695
Energy: 1.299156032765212
Energy: 1.206992752181577
Energy: 1.2984726069177872
Energy: 1.2135490750257047
Energy: 1.2984726069177872
Energy: 1.2169102225833561
Energy: 1.198812423161389
Energy: 1.1851037947871943
Energy: 1.198812423161389
Energy: 1.213222620766097
Energy: 1.3319192793573265
Energy: 1.1869894592672634
Energy: 1.3319192793573265
Energy: 1.2168106227264888
Energy: 1.1996723946631465
Energy: 1.1870580089381062
Energy: 1.1996723946631465
Energy: 1.4874467369960716
Energy: 1.3317593875613707
Energy: 1.1799890548550696
Energy: 1.3317593875613707
Energy: 1.2682964604865592
Energy: 1.2255313532274155
Energy: 1.1854987134495034
Energy: 1.2255313532274155
Energy: 1.5168486023437506
Energy: 1.3312531532782184
Energy: 1.180274026150275
Energy: 1.3312531532782184
Energy: 1.2162241005249521
Energy: 1.3328791235517712
Energy: 1.1851385905995313
Energy: 1.3328791235517712
Energy: 1.3757322880684808
Energy: 1.3310840690028247
Energy: 1.180348088499711
Energy: 1.3310840690028247
Energy: 1.2164723099048886
Energy: 1.3031021822130815
Energy: 1.4722808950157127
Energy: 1.3031021822130815
Energy: 1.17201979134594
Energy: 1.2380842544257864
Energy: 1.2174603894009435
Energy: 1.2380842544257864
Energy: 1.2163608707926028
Energy: 1.303398583700866
Energy: 1.619095666609074
Energy: 1.3033985837016178
Energy: 1.5445784079232487
Energy: 1.2386353166285613
Energy: 1.2172101949954355
Energy: 1.2386353166285613
Energy: 1.216291519647337
Energy: 1.2982491560236713
Energy: 1.203586832889179
Energy: 1.2982491560236713
Energy: 1.2014263664138187
Energy: 1.2370259663370216
Energy: 1.1801343206814694
Energy: 1.2370259663370216

minimum gb energy = 1.17201979134594 eV
minimum distance =  2.27660203386896 Angstroms
sigma value = 37


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

Energy: 1.1666473370073003
Energy: 1.1658523832021976
Energy: 1.0931736737967837
Energy: 1.1658523832009042
Energy: 1.1439054387959038
Energy: 1.1651067124343368
Energy: 1.100109387682533
Energy: 1.1651067124343368
Energy: 1.1223618006880258
Energy: 1.3277303780458811
Energy: 1.42415199690434
Energy: 1.3277303780458811
Energy: 1.088993228425266
Energy: 1.1651335785644148
Energy: 1.1001508672392313
Energy: 1.1651335785631216
Energy: 1.0977962620674828
Energy: 1.1649045143432075
Energy: 1.0890637212126288
Energy: 1.1649045143432075
Energy: 1.102245605343375
Energy: 1.1651017221431224
Energy: 1.0919043307788923
Energy: 1.1651017221431224
Energy: 1.1423702757514338
Energy: 1.2334961014868002
Energy: 1.3707850583846692
Energy: 1.2334961014868002
Energy: 1.0885546423145784
Energy: 1.166318084032218
Energy: 1.1707739119283993
Energy: 1.166318084032218
Energy: 1.0979638037224837
Energy: 1.1650447021062764
Energy: 1.3764571757774735
Energy: 1.1650447021062764
Energy: 1.5418984056641638
Energy: 1.3048942238254684
Energy: 1.0920502259901457
Energy: 1.3048942238254684
Energy: 1.1426378021652621
Energy: 1.2333996604932214
Energy: 1.0906845854394285
Energy: 1.2333996604932214
Energy: 1.4488265911464375
Energy: 1.1654806640136557
Energy: 1.1000799059627382
Energy: 1.1654806640136557
Energy: 1.0876530409410645
Energy: 1.1650469087725017
Energy: 1.0802068012848443
Energy: 1.1650469087725017
Energy: 1.3765612615174005
Energy: 1.2333361579789939
Energy: 1.088658881154545
Energy: 1.2333361579789939
Energy: 1.1650051731661046
Energy: 1.234168795882356
Energy: 1.0904559780737153
Energy: 1.234168795882356
Energy: 1.165569568595967
Energy: 1.1653733612040058
Energy: 1.1000584717192567
Energy: 1.1653733612040058
Energy: 1.0877448245999701
Energy: 1.3067289902515478
Energy: 1.081295523860021
Energy: 1.3067289902515478
Energy: 1.1009210489903742
Energy: 1.2348995349352272
Energy: 1.0882188828592827
Energy: 1.2348995349352272
Energy: 1.1005324834970656
Energy: 1.1673600401998507
Energy: 1.0880733541027758
Energy: 1.1673600401998507
Energy: 1.0886201365423251
Energy: 1.1656892813037063
Energy: 1.0875057472731335
Energy: 1.1656892813037063

minimum gb energy = 1.0802068012848443 eV
minimum distance =  2.28356291335925 Angstroms
sigma value = 25


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

Energy: 1.214964030810981
Energy: 1.0362134402349525
Energy: 1.1526200003025482
Energy: 1.0362134402349525
Energy: 1.3592033930211118
Energy: 1.0499421742144373
Energy: 1.0170614850578945
Energy: 1.0499421742144373
Energy: 1.1373042978098638
Energy: 1.0301673113656786
Energy: 1.0225971799841074
Energy: 1.0301673113656786
Energy: 1.314823375785435
Energy: 1.0672665264082621
Energy: 1.0183526729709742
Energy: 1.0672665264082621
Energy: 1.034943620077612
Energy: 1.041927397598914
Energy: 1.0207075507558996
Energy: 1.041927397598914
Energy: 1.0850704141316476
Energy: 1.029425710887136
Energy: 1.0383994444801683
Energy: 1.029425710887136
Energy: 1.0164617139125234
Energy: 1.0071202691404155
Energy: 1.3154274006981155
Energy: 1.0071202691404155
Energy: 0.9826275328142405
Energy: 1.082998303383257
Energy: 1.1391315666905766
Energy: 1.082998303384267
Energy: 1.0155331632911275
Energy: 1.048929268948151
Energy: 1.5330828526915732
Energy: 1.048929268948151
Energy: 0.9693916978046545
Energy: 1.0173106103848397
Energy: 1.0847825667460655
Energy: 1.0173106103848397
Energy: 1.0171072861137078
Energy: 1.0072805532270157
Energy: 1.4273033717749966
Energy: 1.0072805532270157
Energy: 1.343360669354187
Energy: 1.2081564372100957
Energy: 1.1388207798821879
Energy: 1.2081564372100957
Energy: 1.0205641098437945
Energy: 1.0670201819029888
Energy: 1.3146960002603454
Energy: 1.0670201819029888
Energy: 1.3295519463619578
Energy: 1.1208558227731973
Energy: 1.0378898091249718
Energy: 1.1208558227731973
Energy: 1.0329158001631764
Energy: 1.0079662048305476
Energy: 1.0851267151809365
Energy: 1.0079662048305476
Energy: 1.412405587610364
Energy: 1.1974774889467723
Energy: 1.01443314770752
Energy: 1.1974774889457624
Energy: 1.143448361224738
Energy: 1.0828797114429394
Energy: 1.0808364719338814
Energy: 1.0828797114429394
Energy: 1.3702886241879706
Energy: 1.041926101160352
Energy: 1.0181731714726725
Energy: 1.041926101160352
Energy: 1.2218164067519695
Energy: 1.0289487886474313
Energy: 0.969390354244441
Energy: 1.0289487886474313
Energy: 1.5426808572377928
Energy: 1.1972555440409451
Energy: 1.0144399737908076
Energy: 1.1972555440409451
Energy: 1.142951512906195
Energy: 1.1947953486761944
Energy: 0.975658749074439
Energy: 1.1947953486761944
Energy: 1.1335218059159948
Energy: 1.0672327530722108
Energy: 1.026454896134288
Energy: 1.0672327530722108
Energy: 1.0388491023521613
Energy: 1.1192483040259258
Energy: 1.3333052663308114
Energy: 1.1192483040259258
Energy: 1.0849456113253153
Energy: 1.1971190015819244
Energy: 1.033125725491744
Energy: 1.1971190015819244
Energy: 1.0144534445593476
Energy: 1.1949373975678859
Energy: 1.4075692980001673
Energy: 1.1949373975678859
Energy: 0.9822515343899351
Energy: 1.0832126747331272
Energy: 1.1447244452822722
Energy: 1.0832126747331272

minimum gb energy = 0.969390354244441 eV
minimum distance =  2.29220260871485 Angstroms
sigma value = 41


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

Energy: 1.310848001401097
Energy: 0.9441648612565734
Energy: 1.5402998817251998
Energy: 0.9441648612565734
Energy: 1.3124259687734168
Energy: 0.9186003149952926
Energy: 0.9047851997914631
Energy: 0.9186003149952926
Energy: 0.9412116017210035
Energy: 0.9019013184318084
Energy: 0.8773024095853269
Energy: 0.9019013184318084
Energy: 1.2608873931323303
Energy: 0.9196716666291964
Energy: 0.9046790745528099
Energy: 0.9196716666291964
Energy: 0.8984187843813382
Energy: 0.9717808572675422
Energy: 0.8883164945458669
Energy: 0.9717808572675422
Energy: 1.0710390123238944
Energy: 0.9196709546474706
Energy: 0.9049351689770763
Energy: 0.9196709546466426
Energy: 0.9033051297610093
Energy: 0.9188768231486418
Energy: 0.9205973803290554
Energy: 0.9188768231486418
Energy: 0.8782040392566526
Energy: 0.9424342048708648
Energy: 0.8996273405502145
Energy: 0.9424342048708648
Energy: 0.9082503375178784
Energy: 0.9437827572770863
Energy: 1.1170181008372144
Energy: 0.9437827572770863
Energy: 0.8795397817890477
Energy: 0.9020375420952124
Energy: 0.9423444773854616
Energy: 0.9020375420943845
Energy: 0.903500612524989
Energy: 0.9188922393441926
Energy: 1.4468306282595644
Energy: 0.9188922393441926
Energy: 0.8780831784435249
Energy: 0.9445137778841783
Energy: 1.309800623362716
Energy: 0.9445137778841783
Energy: 0.9082327586452743
Energy: 0.9439871584041916
Energy: 1.448033771901216
Energy: 0.9439871584041916
Energy: 1.183522402374321
Energy: 1.0409739127978084
Energy: 0.94254538055962
Energy: 1.0409739128002922
Energy: 0.9032368527200313
Energy: 0.9189184297714296
Energy: 1.2604955755156142
Energy: 0.9189184297706016
Energy: 1.1764509310577493
Energy: 0.9457149220742738
Energy: 0.8998146808268114
Energy: 0.9457149220734457
Energy: 0.9080386725965515
Energy: 0.9419037880167718
Energy: 1.07027740697241
Energy: 0.9419037880159439
Energy: 1.17387326950485
Energy: 1.0395192633272976
Energy: 0.9045631364009223
Energy: 1.0395192633248134
Energy: 0.9034617645489779
Energy: 0.9421655369383926
Energy: 0.8783368974650594
Energy: 0.9421655369392204
Energy: 1.1821727795880324
Energy: 0.9427635670153369
Energy: 0.9138365932647857
Energy: 0.9427635670153369
Energy: 0.9460851103212478
Energy: 0.9413734649424904
Energy: 0.8845360322973654
Energy: 0.9413734649433184
Energy: 1.4573081147916427
Energy: 0.9719165441750177
Energy: 0.9050421168564287
Energy: 0.9719165441758458
Energy: 1.2972992018662106
Energy: 0.9409944066954952
Energy: 0.8782797982392071
Energy: 0.9409944066954952
Energy: 1.2933754341838828
Energy: 0.9412677879401742
Energy: 0.9129266394811757
Energy: 0.941267787941002
Energy: 0.9459728514037485
Energy: 1.0376160297807278
Energy: 0.8837888293185547
Energy: 1.0376160297807278
Energy: 1.2605850770451894
Energy: 0.9720586081152837
Energy: 0.904905208073882
Energy: 0.9720586081119718
Energy: 0.9036802691406433
Energy: 0.942398974945649
Energy: 1.176096265922876
Energy: 0.942398974946477
Energy: 0.9073618408352235
Energy: 0.941760286446711
Energy: 0.9136123135481998
Energy: 0.941760286446711
Energy: 0.9080839660876103
Energy: 1.0382608942055682
Energy: 1.1675194825091324
Energy: 1.0382608942055682
Energy: 0.8787413504911301
Energy: 1.009041818355287
Energy: 0.9093652581988322
Energy: 1.009041818356115
Energy: 0.9125667102046848
Energy: 0.9424135512059575
Energy: 1.1806013953979657
Energy: 0.9424135512051294
Energy: 0.8796525623957951
Energy: 0.942233274845715
Energy: 0.9520997297491487
Energy: 0.9422332748440589

minimum gb energy = 0.8773024095853269 eV
minimum distance =  2.28942891704062 Angstroms
sigma value = 15


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

Energy: 1.1911684731936523
Energy: 0.8516970787022862
Energy: 1.4912887742709848
Energy: 0.8516970787022862
Energy: 1.3342109238525177
Energy: 0.8477419804904182
Energy: 0.8480743679212233
Energy: 0.8477419804876124
Energy: 0.8831958252573249
Energy: 0.8458073865022006
Energy: 0.8110958962025504
Energy: 0.8458073865022006
Energy: 1.2950051212719278
Energy: 0.8475146738820828
Energy: 0.8477936352364999
Energy: 0.8475146738806799
Energy: 0.8438438758106878
Energy: 0.8522203484121699
Energy: 1.2559644492515658
Energy: 0.8522203490936573
Energy: 1.1330484137998036
Energy: 0.8471773321981241
Energy: 0.8479278987443736
Energy: 0.8471773321967212
Energy: 0.8471012384043874
Energy: 0.8635733248476418
Energy: 0.8447869632665138
Energy: 0.863573325040435
Energy: 0.9719266778936677
Energy: 0.8639179095257704
Energy: 0.8480928535704738
Energy: 0.8639179095257704
Energy: 0.8500677234599043
Energy: 0.8664387217606514
Energy: 1.011817384106227
Energy: 0.8664387217606514
Energy: 0.8063621465297239
Energy: 0.8471357858587333
Energy: 0.8452005984980931
Energy: 0.8471357858580318
Energy: 0.847016214905055
Energy: 0.8475144600745761
Energy: 1.2961501199154293
Energy: 0.8475144600745761
Energy: 0.8079607858900492
Energy: 0.8461692248405472
Energy: 0.8841061333072917
Energy: 0.8461692248405472
Energy: 0.8504338618422382
Energy: 0.8668104724711474
Energy: 1.469505881466425
Energy: 0.8668104724718488
Energy: 0.8057743337595992
Energy: 0.8456527096542017
Energy: 1.1914572576439508
Energy: 0.8456527096542017
Energy: 0.8472992447089913
Energy: 0.8475449343820026
Energy: 1.4708347146293828
Energy: 0.8475449343798984
Energy: 1.070433434807657
Energy: 0.8464471665137522
Energy: 0.8840411180461902
Energy: 0.8464471665137522
Energy: 0.8504069249147025
Energy: 0.8657209531995013
Energy: 1.3176806702850012
Energy: 0.8657209532002026
Energy: 1.0628707628615133
Energy: 0.9248499072762542
Energy: 0.8447071952763209
Energy: 0.9248499072797612
Energy: 0.8468871445432369
Energy: 0.8460686251827317
Energy: 1.1336638064497042
Energy: 0.8460686251827317
Energy: 1.0717116563604492
Energy: 0.847228236522076
Energy: 0.8477401040585458
Energy: 0.847228236522076
Energy: 0.8500950742187158
Energy: 0.885271514586816
Energy: 0.9710073360951638
Energy: 0.8852715145840103
Energy: 1.0830633040652502
Energy: 0.8639693947628356
Energy: 0.8539737351689176
Energy: 0.8639693947621344
Energy: 0.8471088619955398
Energy: 0.8469569154057519
Energy: 0.806003019373938
Energy: 0.8469569153833066
Energy: 1.3607248021342009
Energy: 0.8477669657648071
Energy: 0.8476152476923213
Energy: 0.8477669657655087
Energy: 0.8864478112860879
Energy: 0.8858788943332602
Energy: 0.8076601434810781
Energy: 0.8858788943332602
Energy: 1.3351213657064775
Energy: 0.8640740627250414
Energy: 0.8541312019802673
Energy: 0.8640740627243401
Energy: 1.1920978633038488
Energy: 0.8458920332775024
Energy: 0.8058202641827128
Energy: 0.845892033276801
Energy: 1.4709292552158624
Energy: 0.8460139356350223
Energy: 0.8480320267385287
Energy: 0.8460139356350223
Energy: 0.886341295924675
Energy: 0.9637427930140732
Energy: 0.8065125381795413
Energy: 0.9637427930736616
Energy: 1.1534730720001798
Energy: 0.8647739067733414
Energy: 0.8543300322042959
Energy: 0.8647739067733414
Energy: 0.8471700353200066
Energy: 0.924035117495138
Energy: 1.0824754847664293
Energy: 0.9240351174944366
Energy: 1.1328355954212717
Energy: 0.8460919320180099
Energy: 0.847784086892823
Energy: 0.8460919320180099
Energy: 0.8502259624247459
Energy: 0.9721258569575313
Energy: 1.0695096593413722
Energy: 0.9721258569568297
Energy: 0.8422627316368134
Energy: 0.8851401184587379
Energy: 0.8539763743742431
Energy: 0.8851401184657519
Energy: 0.8383171215530121
Energy: 0.933592283439864
Energy: 1.072934540119881
Energy: 0.9335922834363569
Energy: 0.8056031404858166
Energy: 0.8461424401468753
Energy: 0.8508335111291504
Energy: 0.846142440146174
Energy: 0.8504722632781517
Energy: 0.9643295353929358
Energy: 1.3572655443884523
Energy: 0.9643295353662821

minimum gb energy = 0.8056031404858166 eV
minimum distance =  2.28969577663957 Angstroms
sigma value = 85


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

Energy: 1.1421216770217757
Energy: 0.8436500544086037
Energy: 0.9666422279901261
Energy: 0.8436500544086037
Energy: 1.3738323449034255
Energy: 0.8364078222153596
Energy: 0.787732821384678
Energy: 0.8364078222153596
Energy: 1.0877480731918663
Energy: 0.8363130709082224
Energy: 0.7363113609600744
Energy: 0.8363130709082224
Energy: 1.3116437598814008
Energy: 0.8364117016747837
Energy: 0.7877972801726443
Energy: 0.8364117016760004
Energy: 0.8346512726883945
Energy: 0.7855792653434603
Energy: 0.7346209177376373
Energy: 0.7855792653434603
Energy: 1.1679732706566008
Energy: 0.8371260273346154
Energy: 0.787643045839243
Energy: 0.837126027334007
Energy: 0.7837559467003079
Energy: 0.866567687068303
Energy: 0.8002097382910535
Energy: 0.866567687068303
Energy: 1.0231854650248056
Energy: 0.8346069996711803
Energy: 0.7876905782294478
Energy: 0.8346069996711803
Energy: 0.7866101064060811
Energy: 0.8086661452266086
Energy: 0.9508141812323618
Energy: 0.8086661452266086
Energy: 0.8774116945820949
Energy: 0.865905076650281
Energy: 0.7845696358861612
Energy: 0.865905076650281
Energy: 0.7899986634966669
Energy: 0.8363117394334717
Energy: 1.2081031448210307
Energy: 0.8363117394316467
Energy: 0.732287763886561
Energy: 0.8346202594944971
Energy: 0.8354966855930375
Energy: 0.8346202594944971
Energy: 0.786897645469768
Energy: 0.8075750314333437
Energy: 1.34458473991066
Energy: 0.8075750314333437
Energy: 0.7377261398048387
Energy: 0.8363605209503308
Energy: 1.0882839297212465
Energy: 0.8363605209503308
Energy: 0.7897826801648485
Energy: 0.8364811051242234
Energy: 1.454160363489256
Energy: 0.8364811051248316
Energy: 0.7324107414774493
Energy: 0.8431714796457004
Energy: 1.1426878881789255
Energy: 0.8431714796457004
Energy: 0.7872354618163253
Energy: 0.8076528094582905
Energy: 1.454653112804594
Energy: 0.8076528094582905
Energy: 0.9546919980077743
Energy: 0.8365070036306722
Energy: 1.0883238173840117
Energy: 0.8365070036306722
Energy: 0.7901700911870124
Energy: 0.8362539009977218
Energy: 1.3118312319823833
Energy: 0.8362539009977218
Energy: 0.9576383901186883
Energy: 0.834618472480601
Energy: 0.8354844110115363
Energy: 0.8346184724781676
Energy: 0.7875369830526702
Energy: 0.807602791969715
Energy: 1.1679390546812993
Energy: 0.807602791969715
Energy: 0.9514366245538959
Energy: 0.8363695359228893
Energy: 0.7844612125158368
Energy: 0.836369535922281
Energy: 0.7900131169130334
Energy: 0.8343643614372479
Energy: 1.0230997449785728
Energy: 0.8343643614372479
Energy: 0.9647436187365044
Energy: 0.8656145943216681
Energy: 0.7879778997016971
Energy: 0.8656145943204514
Energy: 0.7870400876057496
Energy: 0.8345618546452073
Energy: 0.8776464469126541
Energy: 0.8345618546458158
Energy: 1.231274132918897
Energy: 0.8364809335714043
Energy: 0.7888644361155597
Energy: 0.8364809335714043
Energy: 0.8379115938605035
Energy: 0.8345108067597802
Energy: 0.7321957800964635
Energy: 0.8345108067591719
Energy: 1.2376182932256772
Energy: 0.8658664376319245
Energy: 0.7880888413598736
Energy: 0.8658664376319245
Energy: 1.0902618732339329
Energy: 0.8369550307682623
Energy: 0.7344766670743204
Energy: 0.8369550307682623
Energy: 1.4541813215548214
Energy: 0.836482424277735
Energy: 0.7896556657752724
Energy: 0.836482424277735
Energy: 1.1449237340465137
Energy: 0.8344843071136782
Energy: 0.7322555756705803
Energy: 0.8344843071136782
Energy: 1.3462911337730517
Energy: 0.8657791060119737
Energy: 0.7881491748078764
Energy: 0.8657791060113654
Energy: 1.0902989638908325
Energy: 0.8340547742548641
Energy: 0.7348251271061493
Energy: 0.8340547742548641
Energy: 1.3113763936859055
Energy: 0.8342923492304449
Energy: 0.788828476033453
Energy: 0.8342923492340948
Energy: 0.8380583996034233
Energy: 0.8342496488633068
Energy: 0.9565720748951653
Energy: 0.8342496488645234
Energy: 1.0488774099467302
Energy: 0.8659078225322695
Energy: 0.7880679366856801
Energy: 0.8659078225316611
Energy: 0.7871250650193161
Energy: 0.8343775387859619
Energy: 0.9516852487002205
Energy: 0.8343775387859619
Energy: 1.0226933723699505
Energy: 0.8342649446426831
Energy: 0.7894356363328343
Energy: 0.8342649446426831
Energy: 0.7905022182510515
Energy: 0.8341482046341352
Energy: 0.964243907073611
Energy: 0.8341482046329186
Energy: 0.74885042028145
Energy: 0.8990838299811478
Energy: 0.7908972467446761
Energy: 0.8990838299817561
Energy: 0.786447210877353
Energy: 0.8344241905225731
Energy: 1.2307384680499072
Energy: 0.8344241905231813
Energy: 0.7322608067317931
Energy: 0.8343825657353614
Energy: 0.8417178170221005
Energy: 0.8343825657359697
Energy: 0.7901376262578491
Energy: 0.8342119023327811
Energy: 1.2378679603826472
Energy: 0.8342119023327811

minimum gb energy = 0.7321957800964635 eV
minimum distance =  2.29601128959258 Angstroms
sigma value = 113


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

Energy: 0.01130528266161653
Energy: 0.012202401440282727
Energy: 1.0022662085486131
Energy: 0.012202401440282727
Energy: 1.002368110366025
Energy: 0.45901429729094106
Energy: 0.46071234484691426
Energy: 0.45901429729094106
Energy: 0.01130528266161653
Energy: 0.012202401440282727
Energy: 1.0022662847871466
Energy: 0.012202401440282727
Energy: 1.002368110366025
Energy: 0.45901429729094106
Energy: 0.46071234484691426
Energy: 0.45901429729094106
Energy: 0.01130528266161653
Energy: 0.012202401440282727
Energy: 1.0022663345036886
Energy: 0.012202401440282727
Energy: 1.0023681103664666
Energy: 0.45901429729094106
Energy: 0.46071234484691426
Energy: 0.45901429729094106

minimum gb energy = 0.01130528266161653 eV
minimum distance =  2.48322602430876 Angstroms
sigma value = 1