Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.85487599670887
cohesive_energy=3.874281369635567
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: -0.141421623913241 eV

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

Energy: 0.012009517045475555
Energy: 0.012214993990987919
Energy: 0.4123505226519496
Energy: 0.012214993990987919
Energy: 0.012009517045475555
Energy: 0.012214993990485078
Energy: 0.012214993990485078
Energy: 2.798170029975025
Energy: 0.012214993990485078
Energy: 2.798170029975025
Energy: 0.012214993990485078
Energy: 2.798170029975527
Energy: 0.412350522650469
Energy: 0.012214993989507336
Energy: 0.01200951704500065
Energy: 0.012214993990485078
Energy: 0.41235052264996613
Energy: 0.01221499399149076
Energy: 0.012214993990987919
Energy: 2.7981700299745214
Energy: 0.012214993990485078
Energy: 2.7981700299745214
Energy: 0.012214993990987919
Energy: 2.7981700299745214
Energy: 0.012009517045475555
Energy: 0.012214993990485078
Energy: 0.41235052265097183
Energy: 0.012214993989507336
Energy: 0.012009517045475555
Energy: 0.01221499399149076
Energy: 0.01221499399149076
Energy: 2.798170029975025
Energy: 0.012214993990987919
Energy: 2.7981700299745214
Energy: 0.012214993990485078
Energy: 2.798170029975025

minimum gb energy = 0.01200951704500065 eV
minimum distance =  2.24877114535404 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.2868017855872378
Energy: 1.3491527373762209
Energy: 1.220844872522648
Energy: 1.3491527373750103
Energy: 1.2868017855884484
Energy: 1.3491527373750103
Energy: 1.2419792141575374
Energy: 1.3134057042514187
Energy: 1.2820014302946885
Energy: 1.3134057042538396
Energy: 1.2419792141611687
Energy: 1.3134057042538396
Energy: 1.1291353329832137
Energy: 1.3154112782362666
Energy: 1.2833835956572153
Energy: 1.3154112782350564
Energy: 1.1291353329832137
Energy: 1.3154112782362666
Energy: 1.3095499837861126
Energy: 1.2833349977110469
Energy: 1.1311617545277757
Energy: 1.2833349977146782
Energy: 1.3095499837885332
Energy: 1.2833349977098365
Energy: 1.3053852189015025
Energy: 1.3377031375860846
Energy: 1.3090104966456442
Energy: 1.3377031375860846
Energy: 1.3053852189002921
Energy: 1.337703137583664
Energy: 1.280035022070243
Energy: 1.31922911982248
Energy: 1.135629134216524
Energy: 1.3192291198212698
Energy: 1.280035022066612
Energy: 1.3192291198212698
Energy: 1.2816339695473995
Energy: 1.3139208889082676
Energy: 1.1348355121859566
Energy: 1.3139208889070573
Energy: 1.2816339695437682
Energy: 1.3139208889058467
Energy: 1.3262691726389855
Energy: 1.3389185666528483
Energy: 1.1325235722247782
Energy: 1.3389185666528483
Energy: 1.326269172637775
Energy: 1.3389185666528483
Energy: 1.3368087614500244
Energy: 1.2694409970066876
Energy: 1.1313855871902676
Energy: 1.2694409970091083
Energy: 1.3368087614500244
Energy: 1.269440997007898
Energy: 1.2792480609778105
Energy: 1.3128468379970728
Energy: 1.1359672652912118
Energy: 1.3128468379970728
Energy: 1.2792480609778105
Energy: 1.3128468379970728
Energy: 1.1295954001360535
Energy: 1.2832896751321115
Energy: 1.2408554003433545
Energy: 1.283289675133322
Energy: 1.1295954001372641
Energy: 1.2832896751357428
Energy: 1.1338420488028838
Energy: 1.3372831874866333
Energy: 1.1337930678718744
Energy: 1.3372831874830025
Energy: 1.1338420488004632
Energy: 1.3372831874830025
Energy: 1.2406942142526396
Energy: 1.2832896751296907
Energy: 1.1294121419420515
Energy: 1.2832896751357428
Energy: 1.2406942142502189
Energy: 1.2832896751309013
Energy: 1.136031249910432
Energy: 1.312890775364883
Energy: 1.2792601562672483
Energy: 1.312890775364883
Energy: 1.136031249910432
Energy: 1.312890775363673
Energy: 1.1313386977973594
Energy: 1.2696756597083882
Energy: 1.3364020085531854
Energy: 1.269675659704757
Energy: 1.13133869779857
Energy: 1.2696756597083882
Energy: 1.1326041694078766
Energy: 1.3390242790170779
Energy: 1.3264305908702656
Energy: 1.3390242790170779
Energy: 1.1326041694078766
Energy: 1.3390242790170779
Energy: 1.1348549035581532
Energy: 1.3139437995069099
Energy: 1.278163118741945
Energy: 1.3139437995056997
Energy: 1.1348549035581532
Energy: 1.3139437995056997
Energy: 1.135426695650983
Energy: 1.3192858280518192
Energy: 1.2812008093094973
Energy: 1.3192858280493982
Energy: 1.135426695649773
Energy: 1.3192858280493982
Energy: 1.3090352981962026
Energy: 1.3377172340504737
Energy: 1.3051773177198898
Energy: 1.3377172340504737
Energy: 1.3090352981949922
Energy: 1.3377172340492636
Energy: 1.1312020440078583
Energy: 1.2878579226480666
Energy: 1.3066084980382804
Energy: 1.287857922651698
Energy: 1.1312020440066477
Energy: 1.2878579226529083
Energy: 1.282753532000909
Energy: 1.31538365715233
Energy: 1.1291232313408164
Energy: 1.3153836571511197
Energy: 1.2827535320021193
Energy: 1.3153836571511197
Energy: 1.2811547708444784
Energy: 1.3132021678523453
Energy: 1.2426759913020131
Energy: 1.3132021678487416
Energy: 1.2811547708456887
Energy: 1.3132021678487416
Energy: 1.2208448725262793
Energy: 1.3491527373750103
Energy: 1.2868017855884484
Energy: 1.3491527373762209
Energy: 1.2208448725238585
Energy: 1.3491527373762209

minimum gb energy = 1.1291232313408164 eV
minimum distance =  2.23264497398017 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.6920128313846146
Energy: 1.4076562639373333
Energy: 1.2797282745164082
Energy: 1.4076562639393988
Energy: 1.6920128313832374
Energy: 1.4076562639393988
Energy: 1.2503954391936225
Energy: 1.3738217242833863
Energy: 1.2966020849716915
Energy: 1.3738217242833863
Energy: 1.250395439195688
Energy: 1.3738217242847632
Energy: 1.1755135598009625
Energy: 1.4037544820823469
Energy: 1.3814388443694872
Energy: 1.4037544820830354
Energy: 1.1755135598016513
Energy: 1.4037544820830354
Energy: 1.2780095489038386
Energy: 1.3479213486538848
Energy: 1.4338250641262462
Energy: 1.3479213486545731
Energy: 1.2780095489052157
Energy: 1.3479213486538848
Energy: 1.2771434413125324
Energy: 1.382900327504607
Energy: 1.3928936036865882
Energy: 1.38290032750323
Energy: 1.2771434413132208
Energy: 1.3829003275039187
Energy: 1.295360202413202
Energy: 1.3829312110642877
Energy: 1.1814098257961017
Energy: 1.3829312110677303
Energy: 1.2953602024118251
Energy: 1.382931211067042
Energy: 1.2955516667934808
Energy: 1.3821815912041941
Energy: 1.3476248485084878
Energy: 1.3821815912041941
Energy: 1.2955516667927922
Energy: 1.3821815912041941
Energy: 1.2069474708854846
Energy: 1.3844190665612888
Energy: 1.2943988929186103
Energy: 1.3844190665612888
Energy: 1.206947470884796
Energy: 1.3844190665612888
Energy: 1.3178476645498949
Energy: 1.358867118922406
Energy: 1.2957908424514364
Energy: 1.3588671189237829
Energy: 1.3178476645443873
Energy: 1.3588671189292907
Energy: 1.248792509647579
Energy: 1.403325665617879
Energy: 1.2530380495438114
Energy: 1.4033256656220099
Energy: 1.2487925096482673
Energy: 1.4033256656213213
Energy: 1.2494239620026844
Energy: 1.3732966120074617
Energy: 1.2966976817735583
Energy: 1.373296612005396
Energy: 1.2494239620040615
Energy: 1.373296612005396
Energy: 1.3784966224768214
Energy: 1.3851411782782512
Energy: 1.2705634778343249
Energy: 1.3851411782782512
Energy: 1.3784966224761328
Energy: 1.3851411782789396
Energy: 1.4417907137912132
Energy: 1.3547535532974486
Energy: 1.250101229057823
Energy: 1.3547535533022679
Energy: 1.4417907137932784
Energy: 1.3547535532988253
Energy: 1.3171667444428798
Energy: 1.4034763348780006
Energy: 1.306786128940701
Energy: 1.4034763348780006
Energy: 1.3171667444442567
Energy: 1.4034763348773123
Energy: 1.3830829354759517
Energy: 1.3891541276768413
Energy: 1.3855699806877433
Energy: 1.3891541276768413
Energy: 1.3830829354766403
Energy: 1.3891541276768413
Energy: 1.3821242107357483
Energy: 1.4046615877561281
Energy: 1.2703875153126134
Energy: 1.4046615877561281
Energy: 1.3821242107357483
Energy: 1.4046615877547513
Energy: 1.3952201394752106
Energy: 1.382847768815267
Energy: 1.2536418748975675
Energy: 1.38284776881389
Energy: 1.395220139475899
Energy: 1.38284776881389
Energy: 1.392251678163399
Energy: 1.3727842090464768
Energy: 1.4647962722290573
Energy: 1.3727842090457882
Energy: 1.3922516781640875
Energy: 1.3727842090464768
Energy: 1.1816211940918977
Energy: 1.384842420884382
Energy: 1.2945151021052783
Energy: 1.384842420884382
Energy: 1.1816211940925863
Energy: 1.3848424208850703
Energy: 1.3288334989663573
Energy: 1.3475663773873294
Energy: 1.387634532588463
Energy: 1.347566377385264
Energy: 1.328833498965669
Energy: 1.3475663773866409
Energy: 1.3787027395195635
Energy: 1.4042573564780838
Energy: 1.225965542539765
Energy: 1.404257356476707
Energy: 1.3787027395195635
Energy: 1.4042573564760183
Energy: 1.2496170479752298
Energy: 1.3754385543616698
Energy: 1.443970035774482
Energy: 1.3754385543623582
Energy: 1.2496170479752298
Energy: 1.3754385543637353
Energy: 1.2529723324573514
Energy: 1.3849305400497718
Energy: 1.3924720543782252
Energy: 1.3849305400490834
Energy: 1.2529723324580397
Energy: 1.3849305400497718
Energy: 1.473308527918988
Energy: 1.3758832502338283
Energy: 1.2960753960046236
Energy: 1.3758832502338283
Energy: 1.4733085279196763
Energy: 1.3758832502338283
Energy: 1.2925878515693212
Energy: 1.3827033784455973
Energy: 1.3810310064761642
Energy: 1.3827033784462859
Energy: 1.2925878515686329
Energy: 1.3827033784462859
Energy: 1.3063112337312575
Energy: 1.4045264418368193
Energy: 1.1998799790037844
Energy: 1.4045264418368193
Energy: 1.3063112337319458
Energy: 1.4045264418368193
Energy: 1.3059968007842095
Energy: 1.4044448200552224
Energy: 1.1998799790017192
Energy: 1.404444820054534
Energy: 1.305996800784898
Energy: 1.4044448200538455
Energy: 1.292660913369989
Energy: 1.382685322759403
Energy: 1.3800514291001544
Energy: 1.3826853227600913
Energy: 1.292660913369989
Energy: 1.3826853227600913
Energy: 1.4737853647890486
Energy: 1.3748257382308935
Energy: 1.3002430174229491
Energy: 1.3748257382308935
Energy: 1.4737853647869834
Energy: 1.3748257382308935
Energy: 1.2529452975960338
Energy: 1.3849980535434057
Energy: 1.3927460294782523
Energy: 1.3849980535420285
Energy: 1.2529452975974107
Energy: 1.3849980535420285
Energy: 1.249737906138805
Energy: 1.3754385543575391
Energy: 1.4443190906559031
Energy: 1.375438554358916
Energy: 1.2497379061381166
Energy: 1.3754385543582275
Energy: 1.3787459597992866
Energy: 1.4041054788039817
Energy: 1.2257652028613015
Energy: 1.4041054788046703
Energy: 1.3787459597992866
Energy: 1.4041054788046703
Energy: 1.3281187350472567
Energy: 1.3534480688751973
Energy: 1.3884530934227248
Energy: 1.353448068874509
Energy: 1.3281187350527643
Energy: 1.3534480688765744
Energy: 1.181622115806602
Energy: 1.3849742243107765
Energy: 1.2943754737207165
Energy: 1.384974224311465
Energy: 1.1816221158052254
Energy: 1.384974224311465
Energy: 1.3934933067329165
Energy: 1.3734761520626628
Energy: 1.4061346435875715
Energy: 1.3734761520612857
Energy: 1.393493306730851
Energy: 1.373476152061974
Energy: 1.3977200480681053
Energy: 1.382746258905317
Energy: 1.2535282891985402
Energy: 1.3827462589060056
Energy: 1.397720048067417
Energy: 1.3827462589060056
Energy: 1.3836292554410712
Energy: 1.4047776093239244
Energy: 1.2787844622988445
Energy: 1.4047776093239244
Energy: 1.3836292554410712
Energy: 1.4047776093225472
Energy: 1.381787957096538
Energy: 1.3892301032098857
Energy: 1.3543129135229997
Energy: 1.3892301032085088
Energy: 1.3817879570979148
Energy: 1.3892301032098857
Energy: 1.3170216641003747
Energy: 1.4034964681254314
Energy: 1.306839688909548
Energy: 1.4034964681247428
Energy: 1.3170216641003747
Energy: 1.4034964681247428
Energy: 1.4415514436855323
Energy: 1.362035598267579
Energy: 1.2518187401032177
Energy: 1.3620355982662022
Energy: 1.4415514436875978
Energy: 1.3620355982648253
Energy: 1.3784847501763968
Energy: 1.3851339304788364
Energy: 1.2708268488004724
Energy: 1.3851339304774593
Energy: 1.3784847501763968
Energy: 1.385133930476771

minimum gb energy = 1.1755135598009625 eV
minimum distance =  2.21970732631464 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.4579213261941442
Energy: 1.4250823014658327
Energy: 1.369409497874388
Energy: 1.4250823014674279
Energy: 1.4579213261941442
Energy: 1.4250823014674279
Energy: 1.3026686611569194
Energy: 1.4630130712822949
Energy: 1.5210577453155216
Energy: 1.463013065692119
Energy: 1.3026686611569194
Energy: 1.4630130876255705
Energy: 1.1835884034922217
Energy: 1.424795526557735
Energy: 1.5347188245141934
Energy: 1.424795526557735
Energy: 1.1835884034922217
Energy: 1.4247955265561398
Energy: 1.1949407069250912
Energy: 1.3657356556114364
Energy: 1.5207159338717746
Energy: 1.3657356556114364
Energy: 1.1949407069250912
Energy: 1.3657356556114364
Energy: 1.1941304749650525
Energy: 1.3647343327477457
Energy: 1.5248669437664926
Energy: 1.3647343327509363
Energy: 1.194130474966648
Energy: 1.3647343327509363
Energy: 1.460703586632897
Energy: 1.363258969002742
Energy: 1.5660647418786078
Energy: 1.363258969002742
Energy: 1.460703586632897
Energy: 1.3632589690043369
Energy: 1.4603848734044316
Energy: 1.3674145188816944
Energy: 1.5198731502469063
Energy: 1.367414518876909
Energy: 1.4603848734044316
Energy: 1.3674145188785043
Energy: 1.1954895043960407
Energy: 1.367865550692718
Energy: 1.1758573186229877
Energy: 1.3678655506959083
Energy: 1.195489504397636
Energy: 1.3678655506959083
Energy: 1.460213094571031
Energy: 1.384725586613066
Energy: 1.2067064075547598
Energy: 1.3847255866114712
Energy: 1.460213094563055
Energy: 1.3847255866114712
Energy: 1.1859984720693002
Energy: 1.4514038170245473
Energy: 1.1759132577693592
Energy: 1.4514038170245473
Energy: 1.1859984720693002
Energy: 1.4514038170229522
Energy: 1.5295244487676787
Energy: 1.3745124839932716
Energy: 1.5206157714166868
Energy: 1.3745124839900813
Energy: 1.5295244487676787
Energy: 1.3745124839932716
Energy: 1.4595493147760321
Energy: 1.4250986599983937
Energy: 1.5678030456512946
Energy: 1.4250986600015842
Energy: 1.4595493147760321
Energy: 1.4250986599983937
Energy: 1.3311442393718587
Energy: 1.3796990775475426
Energy: 1.541979884551097
Energy: 1.3796990775475426
Energy: 1.3311442393718587
Energy: 1.3796990775443523
Energy: 1.1859991706953152
Energy: 1.4248569661685793
Energy: 1.5336148881709588
Energy: 1.4248569661717698
Energy: 1.1859991706953152
Energy: 1.4248569661701744
Energy: 1.1836571567852612
Energy: 1.4255861831025012
Energy: 1.5245677128955657
Energy: 1.425586183100906
Energy: 1.1836571567852612
Energy: 1.4255861831025012
Energy: 1.1940508291635166
Energy: 1.3708887406241366
Energy: 1.5297356196474958
Energy: 1.3708887406209462
Energy: 1.1940508291651117
Energy: 1.3708887406241366
Energy: 1.4607343260446488
Energy: 1.4255901827225044
Energy: 1.563586605367013
Energy: 1.4255901827225044
Energy: 1.4607343260446488
Energy: 1.4255901827225044
Energy: 1.459608025871257
Energy: 1.3666257853287853
Energy: 1.5395501299028787
Energy: 1.3666257853271904
Energy: 1.4596080261136146
Energy: 1.3666257853303807

minimum gb energy = 1.1758573186229877 eV
minimum distance =  2.2030690109942 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.5663792092721458
Energy: 1.5375461346712966
Energy: 1.286641502371408
Energy: 1.5375461346722425
Energy: 1.566379209273092
Energy: 1.5375461346722425
Energy: 1.2776263806135375
Energy: 1.5065748974710054
Energy: 1.437813379167557
Energy: 1.5065748974719517
Energy: 1.2776263806135375
Energy: 1.5065748974700592
Energy: 1.2286225713027874
Energy: 1.4806338312678349
Energy: 1.3954741539804192
Energy: 1.4806338312678349
Energy: 1.2286225713037338
Energy: 1.4806338312678349
Energy: 1.248257721093123
Energy: 1.468853231256658
Energy: 1.3943510165299273
Energy: 1.468853231256658
Energy: 1.2482577210940693
Energy: 1.468853231256658
Energy: 1.3093580142377015
Energy: 1.5473437932718632
Energy: 1.5913021963633174
Energy: 1.547343793270917
Energy: 1.3093580142386476
Energy: 1.547343793280379
Energy: 1.589016783442954
Energy: 1.5473171017529468
Energy: 1.3093257540217655
Energy: 1.5473171017529468
Energy: 1.5890167834439002
Energy: 1.5473171017548395
Energy: 1.4833933175819851
Energy: 1.4692094874907358
Energy: 1.2481333152164797
Energy: 1.4692094874888433
Energy: 1.4833933175810392
Energy: 1.469209487491682
Energy: 1.395140934573873
Energy: 1.4805444345338898
Energy: 1.228593153637408
Energy: 1.4805444345329437
Energy: 1.3951409345729266
Energy: 1.4805444345329437
Energy: 1.4388700724672399
Energy: 1.5052134310986032
Energy: 1.2949977573675027
Energy: 1.5052134310986032
Energy: 1.4388700724738632
Energy: 1.5052134310986032
Energy: 1.3265389310305096
Energy: 1.5375461346731887
Energy: 1.5663792092721458
Energy: 1.5375461346722425
Energy: 1.326538931027671
Energy: 1.5375461346712966
Energy: 1.4378133791656647
Energy: 1.5065748974710054
Energy: 1.2500374529193863
Energy: 1.5065748974710054
Energy: 1.437813379167557
Energy: 1.5065748974710054
Energy: 1.395474153982312
Energy: 1.480633831268781
Energy: 1.2286225713018415
Energy: 1.480633831268781
Energy: 1.3954741539813658
Energy: 1.480633831268781
Energy: 1.3943510165214332
Energy: 1.4688532312576041
Energy: 1.248257721093123
Energy: 1.4688532312576041
Energy: 1.3943510165025088
Energy: 1.4688532312576041
Energy: 1.5913021963642633
Energy: 1.5473437932718632
Energy: 1.3093580142386476
Energy: 1.5473437932718632
Energy: 1.5913021963633174
Energy: 1.5473437932690246
Energy: 1.3093257540217655
Energy: 1.5473171017529468
Energy: 1.537976441909362
Energy: 1.5473171017510547
Energy: 1.3093257540217655
Energy: 1.5473171017529468
Energy: 1.2866133549975398
Energy: 1.4692094874907358
Energy: 1.4833933175800929
Energy: 1.4692094874897896
Energy: 1.2866133549975398
Energy: 1.4692094874897896
Energy: 1.228593153638354
Energy: 1.4805444345348362
Energy: 1.3951409345748191
Energy: 1.4805444345348362
Energy: 1.228593153637408
Energy: 1.4805444345348362
Energy: 1.2949977573684488
Energy: 1.5052134310976568
Energy: 1.4388700724662935
Energy: 1.5052134311014418
Energy: 1.2949977573684488
Energy: 1.5052134311014418
Energy: 1.5663792092721458
Energy: 1.5375461346722425
Energy: 1.3265389310220153
Energy: 1.5375461346703503
Energy: 1.5663792092721458
Energy: 1.5375461346712966
Energy: 1.2500374529203322
Energy: 1.5065748974719517
Energy: 1.4378133791647183
Energy: 1.5065748974710054
Energy: 1.2500374529193863
Energy: 1.5065748974700592
Energy: 1.2286225713027874
Energy: 1.4806338312678349
Energy: 1.3954741539794733
Energy: 1.4806338312668885
Energy: 1.2286225713027874
Energy: 1.4806338312668885
Energy: 1.248257721093123
Energy: 1.468853231256658
Energy: 1.3943510165204867
Energy: 1.468853231256658
Energy: 1.2482577210940693
Energy: 1.468853231256658
Energy: 1.3093580142386476
Energy: 1.5473437932718632
Energy: 1.5913021963633174
Energy: 1.547343793280379
Energy: 1.3093580142377015
Energy: 1.5473437932718632
Energy: 1.4799620422683213
Energy: 1.5473171017529468
Energy: 1.3093257540217655
Energy: 1.5473171017510547
Energy: 1.4799620422673752
Energy: 1.5473171017520009
Energy: 1.4833933175791467
Energy: 1.4692094874907358
Energy: 1.3239515667255666
Energy: 1.469209487491682
Energy: 1.4833933175800929
Energy: 1.4692094874926283
Energy: 1.3951409345719803
Energy: 1.4805444345338898
Energy: 1.228593153637408
Energy: 1.4805444345338898
Energy: 1.3951409345729266
Energy: 1.4805444345338898
Energy: 1.438870072468186
Energy: 1.5052134310995493
Energy: 1.2949977573665565
Energy: 1.5052134311014418
Energy: 1.4388700724719707
Energy: 1.5052134310976568
Energy: 1.3265389310229614
Energy: 1.5375461346712966
Energy: 1.5663792092721458
Energy: 1.5375461346722425
Energy: 1.3265389310248539
Energy: 1.5375461346712966
Energy: 1.4378133791628258
Energy: 1.5065748974710054
Energy: 1.2500374529203322
Energy: 1.5065748974700592
Energy: 1.4378133791656647
Energy: 1.5065748974710054
Energy: 1.3954741539813658
Energy: 1.4806338312678349
Energy: 1.2286225713018415
Energy: 1.480633831268781
Energy: 1.3954741539804192
Energy: 1.480633831268781

minimum gb energy = 1.228593153637408 eV
minimum distance =  2.19789728421143 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.1952307042868953
Energy: 1.3739402276584414
Energy: 1.5022983145576974
Energy: 1.3739402276586783
Energy: 1.1952307042866581
Energy: 1.3739402276591524
Energy: 1.1827612036054582
Energy: 1.4528438797875167
Energy: 1.2242289952479222
Energy: 1.4528438797873062
Energy: 1.1827612036054582
Energy: 1.452843879787069
Energy: 1.2115086278248766
Energy: 1.5122094419976917
Energy: 1.2243068988808736
Energy: 1.5122094419967436
Energy: 1.2115086278253504
Energy: 1.5122094419976917
Energy: 1.1923318127103602
Energy: 1.373615659894678
Energy: 1.209639879516522
Energy: 1.3736156598953628
Energy: 1.1923318127094387
Energy: 1.373615659894678
Energy: 1.2258487804682936
Energy: 1.3818949166672336
Energy: 1.210805538849872
Energy: 1.3818949166665226
Energy: 1.2258487804685307
Energy: 1.3818949166667596
Energy: 1.2093229647635915
Energy: 1.52589939162728
Energy: 1.224139160919201
Energy: 1.5258993916270431
Energy: 1.2093229647635915
Energy: 1.5258993916275174
Energy: 1.2240395876209071
Energy: 1.3418534784007685
Energy: 1.2093342295408571
Energy: 1.3418534783989247
Energy: 1.2240395876209071
Energy: 1.3418534783945264
Energy: 1.192827674409996
Energy: 1.3817689857593372
Energy: 1.2277110963818183
Energy: 1.3817689857588893
Energy: 1.192827674408837
Energy: 1.381768985757941
Energy: 1.2093177955493009
Energy: 1.3818780732809464
Energy: 1.2238742694086466
Energy: 1.3818780732800247
Energy: 1.20931779554909
Energy: 1.3818780732804987
Energy: 1.212336020597318
Energy: 1.467526252312195
Energy: 1.2123414888443447
Energy: 1.4675262523105888
Energy: 1.2123360205971072
Energy: 1.4675262523112735
Energy: 1.2239492297453087
Energy: 1.3822033083611487
Energy: 1.209371949968757
Energy: 1.3822033083648362
Energy: 1.22394922974415
Energy: 1.3822033083639143
Energy: 1.2275101867034859
Energy: 1.3817160657741034
Energy: 1.1930209357771473
Energy: 1.3817160657741034
Energy: 1.2275101867034859
Energy: 1.3817160657741034

minimum gb energy = 1.1827612036054582 eV
minimum distance =  2.22810252303136 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.6098375074161424
Energy: 1.5730205526626009
Energy: 1.4678105883743446
Energy: 1.5730205526612986
Energy: 1.6098375074180962
Energy: 1.5730205526626009
Energy: 1.4358190442366712
Energy: 1.5053824780048246
Energy: 1.33760608707297
Energy: 1.5053824780041734
Energy: 1.4358190442353689
Energy: 1.505382478003522
Energy: 1.2993495064081886
Energy: 1.5255430061114752
Energy: 1.3182009859202728
Energy: 1.5255430061121262
Energy: 1.2993495064094909
Energy: 1.5255430061114752
Energy: 1.2563953262692142
Energy: 1.4934789796360746
Energy: 1.233630958029756
Energy: 1.4934789796341208
Energy: 1.2563953262692142
Energy: 1.4934789796341208
Energy: 1.2557167121129125
Energy: 1.4902270915224212
Energy: 1.2352390658990993
Energy: 1.4902270915230724
Energy: 1.2557167121135637
Energy: 1.4902270915224212
Energy: 1.238296216493041
Energy: 1.4440933476975792
Energy: 1.3235928046146321
Energy: 1.4440933476962767
Energy: 1.238296216493041
Energy: 1.4440933476962767
Energy: 1.4936324917863115
Energy: 1.5194308374797454
Energy: 1.3232855530545446
Energy: 1.5194308374777918
Energy: 1.493632491787614
Energy: 1.519430837478443
Energy: 1.433092967851206
Energy: 1.489812114363978
Energy: 1.3500914078766086
Energy: 1.4898121143633267
Energy: 1.433092967851206
Energy: 1.4898121143633267
Energy: 1.4302338919361246
Energy: 1.5180798428711468
Energy: 1.3286228840215915
Energy: 1.5180798428711468
Energy: 1.4302338919361246
Energy: 1.5180798428711468
Energy: 1.4365497358963395
Energy: 1.5273176094916512
Energy: 1.2656371092867396
Energy: 1.527317609494256
Energy: 1.436549735899596
Energy: 1.5273176094909997
Energy: 1.4173499903465505
Energy: 1.509644768862835
Energy: 1.331193614100292
Energy: 1.5096447688615324
Energy: 1.4173499903491555
Energy: 1.5096447688615324
Energy: 1.3064475596611245
Energy: 1.4893455441038532
Energy: 1.3062061514195036
Energy: 1.4893455441038532
Energy: 1.3064475596611245
Energy: 1.4893455441038532
Energy: 1.2424690155415052
Energy: 1.4458541321408738
Energy: 1.2408365355340436
Energy: 1.445854132141525
Energy: 1.2424690155428078
Energy: 1.445854132141525
Energy: 1.4525395268179706
Energy: 1.5462673986495956
Energy: 1.2401201515104472
Energy: 1.5462673986482933
Energy: 1.4525395268186219
Energy: 1.5462673986508981
Energy: 1.3081244116400557
Energy: 1.5120484889274803
Energy: 1.366754706772525
Energy: 1.5120484889287829
Energy: 1.3081244116406772
Energy: 1.5120484889281316
Energy: 1.3750057700031968
Energy: 1.492815677673608
Energy: 1.3041319126312982
Energy: 1.4928156776749106
Energy: 1.3750057700031968
Energy: 1.4928156776749106
Energy: 1.4386511655860887
Energy: 1.5334856762859284
Energy: 1.32712560973198
Energy: 1.5334856762859284
Energy: 1.4386511655860887
Energy: 1.5334856762878821
Energy: 1.3097387398393958
Energy: 1.4484135212423344
Energy: 1.3206832015109633
Energy: 1.4484135212436369
Energy: 1.3097387398387446
Energy: 1.4484135212423344
Energy: 1.4339597808053481
Energy: 1.556848614689371
Energy: 1.2419982794685758
Energy: 1.556848614689371
Energy: 1.433959780807302
Energy: 1.556848614689371
Energy: 1.2381919680291085
Energy: 1.6046755547329359
Energy: 1.2404682544489392
Energy: 1.597420731210422
Energy: 1.2381919680284572
Energy: 1.6046755547342384
Energy: 1.242633282332339
Energy: 1.556419634272596
Energy: 1.4339489111770776
Energy: 1.5564196342699912
Energy: 1.2426332823310364
Energy: 1.5564196342699912
Energy: 1.320570625986432
Energy: 1.4483767737051367
Energy: 1.309480419398841
Energy: 1.4483767737363955
Energy: 1.320570625985781
Energy: 1.4483767737051367
Energy: 1.3263218007174966
Energy: 1.5337973227569661
Energy: 1.4385024836739024
Energy: 1.5337973227543613
Energy: 1.326321800715543
Energy: 1.5337973227524075
Energy: 1.304265139569245
Energy: 1.4937253670371007
Energy: 1.3753307084874897
Energy: 1.4937253670377522
Energy: 1.3042651395705473
Energy: 1.493725367040357
Energy: 1.3626437314272026
Energy: 1.511762652508369
Energy: 1.3080275029621913
Energy: 1.5117626525103225
Energy: 1.3626437314259003
Energy: 1.511762652508369
Energy: 1.2389149102979995
Energy: 1.546295929651485
Energy: 1.4526300272132358
Energy: 1.5462959296501826
Energy: 1.2389149102953947
Energy: 1.546295929651485
Energy: 1.2408766827883588
Energy: 1.4439645865199706
Energy: 1.2424393754108765
Energy: 1.4439645865225756
Energy: 1.24087668279422
Energy: 1.4439645865219244
Energy: 1.304766006129987
Energy: 1.489557989166409
Energy: 1.3063324391494067
Energy: 1.4895579891644553
Energy: 1.3047660061306383
Energy: 1.4895579891644553
Energy: 1.33107130464495
Energy: 1.5104143172871354
Energy: 1.4870017918050695
Energy: 1.5104143172897402
Energy: 1.33107130464495
Energy: 1.5104143172890891
Energy: 1.2656785573702942
Energy: 1.5271246189413086
Energy: 1.4368169954331438
Energy: 1.52712461894196
Energy: 1.2656785573702942
Energy: 1.5271246189426113
Energy: 1.3301487629140907
Energy: 1.5180798428750544
Energy: 1.4301289324412807
Energy: 1.5180798428731006
Energy: 1.3301487629114859
Energy: 1.5180798428737516
Energy: 1.3499049289966507
Energy: 1.4897568325281916
Energy: 1.4330308768899835
Energy: 1.4897568325288426
Energy: 1.3499049289966507
Energy: 1.4897568325288426
Energy: 1.3221481688610526
Energy: 1.519702912900615
Energy: 1.4936286703331667
Energy: 1.519702912900615
Energy: 1.3221481688610526
Energy: 1.5197029129012662
Energy: 1.3211262526855774
Energy: 1.4431088998262311
Energy: 1.2381381623285468
Energy: 1.468549763900961
Energy: 1.3211262526803673
Energy: 1.443108899828185
Energy: 1.2346006942930505
Energy: 1.489911912503926
Energy: 1.255734708252052
Energy: 1.489911912503926
Energy: 1.2346006942937018
Energy: 1.489911912503926
Energy: 1.2337329536883335
Energy: 1.4933786313503155
Energy: 1.2564001786044847
Energy: 1.4933786313509667
Energy: 1.2337329536883335
Energy: 1.4933786313509667
Energy: 1.3190613567489218
Energy: 1.5259467579719252
Energy: 1.299459378833415
Energy: 1.5259467579725767
Energy: 1.319061356746317
Energy: 1.5259467579725767
Energy: 1.3272475021919592
Energy: 1.4958761769846416
Energy: 1.434401391663305
Energy: 1.4827200708209798
Energy: 1.327247502188703
Energy: 1.4958761769878977
Energy: 1.467810588374996
Energy: 1.5730205526612986
Energy: 1.6098375074167934
Energy: 1.5730205526612986
Energy: 1.4678105883730423
Energy: 1.573020552660647
Energy: 1.3376060870710165
Energy: 1.5053824780080807
Energy: 1.4358190442347176
Energy: 1.5053824780041734
Energy: 1.3376060870716677
Energy: 1.5053824780061271
Energy: 1.318200985915063
Energy: 1.5255430061101725
Energy: 1.2993495064068858
Energy: 1.5255430061095214
Energy: 1.318200985917668
Energy: 1.5255430061095214
Energy: 1.2336309580310585
Energy: 1.4934789796328183
Energy: 1.2563953262705165
Energy: 1.4934789796341208
Energy: 1.2336309580304075
Energy: 1.4934789796341208
Energy: 1.2719537508101268
Energy: 1.4902270915211189
Energy: 1.2557167121109587
Energy: 1.4902270915204676
Energy: 1.2719537508010097
Energy: 1.4902270915204676

minimum gb energy = 1.233630958029756 eV
minimum distance =  2.18666332350441 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.3851403745422268
Energy: 1.4400575432466376
Energy: 1.4540336494259827
Energy: 1.4400575432481202
Energy: 1.3851403745407445
Energy: 1.4400575432481202
Energy: 1.4184026564874632
Energy: 1.4731249315628774
Energy: 1.1514191572209092
Energy: 1.473124931561395
Energy: 1.4184026564874632
Energy: 1.4731249315628774
Energy: 1.130256796417021
Energy: 1.4144339924802938
Energy: 1.2689171910653332
Energy: 1.4144339924802938
Energy: 1.130256796417021
Energy: 1.4144339924802938
Energy: 1.1511374592994383
Energy: 1.4158693889110445
Energy: 1.1575187728164027
Energy: 1.4158693889125271
Energy: 1.1511374592994383
Energy: 1.4158693889110445
Energy: 1.1515463601577265
Energy: 1.439292570888316
Energy: 1.1591684992496338
Energy: 1.4392925708897988
Energy: 1.1515463601577265
Energy: 1.4392925708897988
Energy: 1.4390585071103292
Energy: 1.4123605397590648
Energy: 1.1312432968495545
Energy: 1.4123605397575825
Energy: 1.4390585071103292
Energy: 1.4123605397575825
Energy: 1.4387658179902878
Energy: 1.4138837126777295
Energy: 1.1306479614321738
Energy: 1.413883712676247
Energy: 1.4387658179902878
Energy: 1.413883712676247
Energy: 1.1517016302038274
Energy: 1.439551632703552
Energy: 1.1576005380628094
Energy: 1.4395516327020699
Energy: 1.1517016302038274
Energy: 1.4395516327020699
Energy: 1.1509790167016958
Energy: 1.4138201845746525
Energy: 1.1584792860453217
Energy: 1.4138201845746525
Energy: 1.1509790167016958
Energy: 1.4138201845746525
Energy: 1.1302243747342244
Energy: 1.4142001976607994
Energy: 1.2687276933847023
Energy: 1.414200197659317
Energy: 1.1302243747342244
Energy: 1.414200197659317
Energy: 1.4179624743142394
Energy: 1.4731249315628774
Energy: 1.1585974973462387
Energy: 1.473124931561395
Energy: 1.4179624743142394
Energy: 1.473124931561395
Energy: 1.3851403745422268
Energy: 1.4400575432481202
Energy: 1.4540336494259827
Energy: 1.4400575432481202
Energy: 1.3851403745422268
Energy: 1.4400575432466376
Energy: 1.4184026564859806
Energy: 1.473124931561395
Energy: 1.1514191572223915
Energy: 1.4731249315628774
Energy: 1.4184026564889456
Energy: 1.473124931561395
Energy: 1.130256796417021
Energy: 1.4144339924802938
Energy: 1.2689171910653332
Energy: 1.4144339924802938
Energy: 1.130256796417021
Energy: 1.4144339924802938
Energy: 1.1511374592994383
Energy: 1.4158693889110445
Energy: 1.157518772817885
Energy: 1.4158693889125271
Energy: 1.1511374592994383
Energy: 1.4158693889125271
Energy: 1.1515463601577265
Energy: 1.439292570888316
Energy: 1.1591684992481515
Energy: 1.4392925708897988
Energy: 1.1515463601577265
Energy: 1.4392925708897988
Energy: 1.4390585071103292
Energy: 1.4123605397590648
Energy: 1.1312432968525192
Energy: 1.4123605397590648
Energy: 1.4390585071103292
Energy: 1.4123605397575825
Energy: 1.4387658179902878
Energy: 1.413883712676247
Energy: 1.1306479614321738
Energy: 1.413883712676247
Energy: 1.4387658179902878
Energy: 1.4138837126777295
Energy: 1.1517016302038274
Energy: 1.4395516327020699
Energy: 1.1576005380628094
Energy: 1.4395516327005873
Energy: 1.1517016302038274
Energy: 1.4395516327020699

minimum gb energy = 1.1302243747342244 eV
minimum distance =  2.17878965866712 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.2533752406047287
Energy: 1.3786442532078371
Energy: 1.2403735737675052
Energy: 1.378644253210009
Energy: 1.253375240605815
Energy: 1.3786442532110947
Energy: 1.7316588504175843
Energy: 1.325787034698763
Energy: 1.0695614590306772
Energy: 1.3257870346965914
Energy: 1.73165885041867
Energy: 1.3257870346998493
Energy: 1.228634920782016
Energy: 1.311851892975587
Energy: 1.2033071759330067
Energy: 1.3118518929777587
Energy: 1.228634920782016
Energy: 1.3118518929788445
Energy: 1.2656865990714699
Energy: 1.3008915081903027
Energy: 1.0681560414623854
Energy: 1.3008915081913885
Energy: 1.2656865990714699
Energy: 1.3008915081913885
Energy: 1.065631863730598
Energy: 1.378544016658941
Energy: 1.0848190294469697
Energy: 1.3785440166578553
Energy: 1.065631863730598
Energy: 1.378544016658941
Energy: 1.0780485936613784
Energy: 1.3643155086261953
Energy: 1.0691488532130378
Energy: 1.3643155086261953
Energy: 1.0780485936613784
Energy: 1.3643155086261953
Energy: 1.0775598616214699
Energy: 1.3962978103936985
Energy: 1.075638948405771
Energy: 1.396297810391527
Energy: 1.0775598616214699
Energy: 1.396297810391527
Energy: 1.4833652335581584
Energy: 1.3749684205510309
Energy: 1.0878588956609372
Energy: 1.3749684205510309
Energy: 1.483365233559244
Energy: 1.3749684205521169
Energy: 1.4811157098605714
Energy: 1.3723317218092965
Energy: 1.4634638982780166
Energy: 1.3723317218092965
Energy: 1.4811157098616572
Energy: 1.3723317218082103
Energy: 1.077888058637004
Energy: 1.3079798450290787
Energy: 1.0798941661070423
Energy: 1.307979845026907
Energy: 1.077888058637004
Energy: 1.307979845026907
Energy: 1.077763692071761
Energy: 1.3598644912684053
Energy: 1.0742100713360534
Energy: 1.3598644912673195
Energy: 1.0777636920707248
Energy: 1.3598644912673195
Energy: 1.065587892404992
Energy: 1.3746634506039481
Energy: 1.067999143842099
Energy: 1.374663450605034
Energy: 1.065587892404992
Energy: 1.374663450605034
Energy: 1.4826242924537947
Energy: 1.2038682759051345
Energy: 1.0863785473495013
Energy: 1.2038682759051345
Energy: 1.4826242924527087
Energy: 1.2038682759040487
Energy: 1.0761093181518595
Energy: 1.3081413806168118
Energy: 1.0888363686732303
Energy: 1.30814138061464
Energy: 1.0761093181410004
Energy: 1.3081413806178976
Energy: 1.7317223058347595
Energy: 1.3262072981518604
Energy: 1.0750246024821566
Energy: 1.3262072981475168
Energy: 1.7317223058336737
Energy: 1.3262072981486028
Energy: 1.2425668419275027
Energy: 1.374287339064071
Energy: 1.2869714258517408
Energy: 1.3742873390629853
Energy: 1.2425668419285882
Energy: 1.374287339066243
Energy: 1.7464313529200128
Energy: 1.323800122627303
Energy: 1.0851868286587782
Energy: 1.3238001226251312
Energy: 1.7464313529200128
Energy: 1.3238001226262173
Energy: 1.0801878786267058
Energy: 1.3086360560107315
Energy: 1.094486050935906
Energy: 1.3086360560139894
Energy: 1.0801878786332213
Energy: 1.3086360560139894
Energy: 1.26516255960001
Energy: 1.297412728110427
Energy: 1.0752771834643267
Energy: 1.2974127281136847
Energy: 1.265162559598924
Energy: 1.297412728112599
Energy: 1.065654114581732
Energy: 1.3788482579991603
Energy: 1.0809516790154106
Energy: 1.3788482579991603
Energy: 1.065654114581732
Energy: 1.3788482580002461
Energy: 1.5236805337371322
Energy: 1.3617201812075574
Energy: 1.0707270347863702
Energy: 1.3617201812075574
Energy: 1.5236805337371322
Energy: 1.3617201812075574
Energy: 1.0780931594494019
Energy: 1.3988729775605595
Energy: 1.0719441440811963
Energy: 1.3988729775605595
Energy: 1.0780931594494019
Energy: 1.3988729775583877
Energy: 1.485617097060161
Energy: 1.3716763160817425
Energy: 1.0945603070569316
Energy: 1.3716763160806567
Energy: 1.485617097060161
Energy: 1.3716763160806567
Energy: 1.0663037010248209
Energy: 1.3788681086713588
Energy: 1.4887145171372693
Energy: 1.3788681086691867
Energy: 1.0663037010248209
Energy: 1.3788681086724444
Energy: 1.0786385616347893
Energy: 1.3043879345077052
Energy: 1.0693356045906828
Energy: 1.3043879345066192
Energy: 1.0786385616347893
Energy: 1.3043879345066192
Energy: 1.07811526575448
Energy: 1.360021594512738
Energy: 1.071757688253998
Energy: 1.3600215945138239
Energy: 1.07811526575448
Energy: 1.36002159451491

minimum gb energy = 1.065587892404992 eV
minimum distance =  2.23530231124626 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.5508975873600888
Energy: 1.3423833972527113
Energy: 1.0491821571016005
Energy: 1.3423833972527113
Energy: 1.5508975873600888
Energy: 1.3423833972527113
Energy: 1.7138573634523069
Energy: 1.2064101590499288
Energy: 0.9939544715638968
Energy: 1.206410159048217
Energy: 1.7138573634531626
Energy: 1.2064101590490728
Energy: 1.069177562310633
Energy: 1.2641393600238422
Energy: 1.0210637353752605
Energy: 1.2641393600246982
Energy: 1.069177562310633
Energy: 1.2641393600246982
Energy: 1.5087248261944524
Energy: 1.1778802983919097
Energy: 0.9928301105472387
Energy: 1.1778802983910537
Energy: 1.5087248261961643
Energy: 1.1778802983910537
Energy: 1.0497091294257292
Energy: 1.1910346472658133
Energy: 1.004351145063612
Energy: 1.1910346472649571
Energy: 1.0497091294231813
Energy: 1.1910346472649571
Energy: 1.3023128919666322
Energy: 1.2438985741513136
Energy: 0.9947658335647643
Energy: 1.2438985741504576
Energy: 1.3023128919666322
Energy: 1.2438985741504576
Energy: 0.9947871201178178
Energy: 1.2524809813825142
Energy: 0.9944301124674435
Energy: 1.2524809813825142
Energy: 0.9947871201178178
Energy: 1.2524809813825142
Energy: 1.3536885288077904
Energy: 1.2537472314159441
Energy: 1.0145116238777259
Energy: 1.2537472314159441
Energy: 1.3536885288095022
Energy: 1.2537472314150884
Energy: 1.0104238331826048
Energy: 1.191120799467833
Energy: 1.2859472742649638
Energy: 1.191120799467833
Energy: 1.010423833183461
Energy: 1.1911207994686888
Energy: 1.3202217365836726
Energy: 1.2523176864362664
Energy: 1.3061330927942285
Energy: 1.2523176864371222
Energy: 1.3202217365828168
Energy: 1.2523176864371222
Energy: 1.3094788858106552
Energy: 1.2524078178478608
Energy: 1.304541144138139
Energy: 1.2524078178487166
Energy: 1.3094788858097992
Energy: 1.2524078178487166
Energy: 1.0044206327856589
Energy: 1.252311474213435
Energy: 1.0143506161543439
Energy: 1.252311474212579
Energy: 1.004420632784803
Energy: 1.252311474212579
Energy: 1.0099308589540492
Energy: 1.2447430829813833
Energy: 1.286173533342768
Energy: 1.2447430829822392
Energy: 1.0099308589540492
Energy: 1.2447430829822392
Energy: 0.9924128479274307
Energy: 1.252039084211696
Energy: 0.994259992524475
Energy: 1.2520390842108402
Energy: 0.9924128479265749
Energy: 1.2520390842108402
Energy: 1.3087857997429864
Energy: 1.2450141038885105
Energy: 0.9936919199418122
Energy: 1.2450141038893663
Energy: 1.3087857997438421
Energy: 1.2450141038885105
Energy: 1.0010337784518608
Energy: 1.2523421542880422
Energy: 0.9928628314214546
Energy: 1.2523421542880422
Energy: 1.0010337784544285
Energy: 1.2523421542880422
Energy: 1.2909433596740252
Energy: 1.2714735005421924
Energy: 1.005275724215951
Energy: 1.2714735005421924
Energy: 1.2909433596765925
Energy: 1.2714735005430482
Energy: 1.0193497249454444
Energy: 1.2525321327369867
Energy: 1.0034874186645064
Energy: 1.2525321327352752
Energy: 1.0193497249454444
Energy: 1.252532132736131
Energy: 1.7224972810484913
Energy: 1.2047155448084523
Energy: 0.9942557852609412
Energy: 1.2047155448075964
Energy: 1.7224972810493473
Energy: 1.2047155448084523
Energy: 1.3054353905281983
Energy: 1.2521967469031343
Energy: 1.3157574603419053
Energy: 1.2521967469031343
Energy: 1.3054353905281983
Energy: 1.2521967469031343
Energy: 1.7089489847719046
Energy: 1.2038064317615735
Energy: 1.005153795676447
Energy: 1.2038064317598618
Energy: 1.7089489847719046
Energy: 1.2038064317615735
Energy: 1.015033379591016
Energy: 1.252859728863058
Energy: 1.004633295995793
Energy: 1.252859728862202
Energy: 1.0150333795097461
Energy: 1.252859728863058
Energy: 1.5255265767151955
Energy: 1.1778352121271827
Energy: 0.9936731864512892
Energy: 1.1778352121288944
Energy: 1.5255265767160515
Energy: 1.1778352121271827
Energy: 0.9962236725791388
Energy: 1.2438850771785346
Energy: 1.1544209794148352
Energy: 1.2438850771776786
Energy: 0.9962236725817065
Energy: 1.2438850771776786
Energy: 1.154239790824647
Energy: 1.2438393166414636
Energy: 0.9980715878119987
Energy: 1.2438393166414636
Energy: 1.154239790824647
Energy: 1.2438393166414636
Energy: 0.9923037549602083
Energy: 1.1773153980987074
Energy: 1.1414230757071013
Energy: 1.1773153980978515
Energy: 0.9923037549602083
Energy: 1.1773153980978515
Energy: 1.3513001259845678
Energy: 1.2522648303053636
Energy: 1.0146637964950092
Energy: 1.2522648303053636
Energy: 1.3513001259845678
Energy: 1.2522648303053636
Energy: 1.004804996056903
Energy: 1.2571213927011284
Energy: 1.499420662374849
Energy: 1.2571213927011284
Energy: 1.004804996056903
Energy: 1.2571213927019844
Energy: 1.3116216082745875
Energy: 1.2518756818745704
Energy: 1.3050268002035166
Energy: 1.2518756818745704
Energy: 1.3116216082754433
Energy: 1.2518756818737147
Energy: 0.9923957891801706
Energy: 1.2206737641458931
Energy: 1.3066784796754984
Energy: 1.2206737641441812
Energy: 0.9923957891801706
Energy: 1.2206737641450371
Energy: 1.0044004542663558
Energy: 1.2521700702179468
Energy: 1.0145181385359447
Energy: 1.2521700702187832
Energy: 1.0044004542663558
Energy: 1.2521700702187832
Energy: 1.004523113938141
Energy: 1.2439647170031187
Energy: 1.2856560004981683
Energy: 1.243964717002263
Energy: 1.004523113938141
Energy: 1.2439647170005512
Energy: 0.9943057029737566
Energy: 1.2521018027900364
Energy: 0.9985944791172748
Energy: 1.2521018027900364
Energy: 0.9943057029737566
Energy: 1.2521018027891804

minimum gb energy = 0.9923037549602083 eV
minimum distance =  2.23301097012863 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.2945821816174299
Energy: 1.1321392155668424
Energy: 1.187438417863517
Energy: 1.1321392155662418
Energy: 1.2945821816180305
Energy: 1.1321392155674428
Energy: 1.8573300364503613
Energy: 1.0336083536619391
Energy: 0.8916084247841877
Energy: 1.0336083536565333
Energy: 1.8573300364497607
Energy: 1.0336083536631406
Energy: 1.274682648963049
Energy: 1.1300108619604623
Energy: 1.0414881099345987
Energy: 1.1300108619610632
Energy: 1.2746826489612468
Energy: 1.1300108619622642
Energy: 1.71604904487742
Energy: 1.0228944178039283
Energy: 0.8917823582120764
Energy: 1.022894417806331
Energy: 1.716049044875618
Energy: 1.022894417804529
Energy: 0.9444458783848837
Energy: 1.1044695012661736
Energy: 0.8990239520326329
Energy: 1.1044695012649723
Energy: 0.9444458783938936
Energy: 1.1044695012679213
Energy: 1.3761518971542308
Energy: 1.0745794301215654
Energy: 0.8919341739136114
Energy: 1.0745794301167602
Energy: 1.37615189715363
Energy: 1.0745794301149583
Energy: 0.9252166561679882
Energy: 1.0888615221082358
Energy: 0.8895922684614557
Energy: 1.0888615221070346
Energy: 0.9252166561721928
Energy: 1.0888615221058333
Energy: 1.2340297639724365
Energy: 1.0775692610270209
Energy: 0.8998095006953676
Energy: 1.077569261028222
Energy: 1.2340297639712352
Energy: 1.077569261028222
Energy: 0.911317638058782
Energy: 1.104230325217576
Energy: 1.0655710231311342
Energy: 1.104230325215774
Energy: 0.9113176380599833
Energy: 1.104230325215774
Energy: 1.0930359364091036
Energy: 1.1083135786941678
Energy: 1.184303687677422
Energy: 1.1083135786947682
Energy: 1.0930359364085032
Energy: 1.1083135786947682
Energy: 0.9057065566797396
Energy: 1.0884527470585819
Energy: 1.096059344206336
Energy: 1.0884527470591827
Energy: 0.9057065566803404
Energy: 1.0884527470591827
Energy: 1.3981143730073269
Energy: 1.123566949286908
Energy: 1.1170647520431962
Energy: 1.1235669492839044
Energy: 1.3981143730079277
Energy: 1.1235669492839044
Energy: 1.0968373220459626
Energy: 1.1058519736430015
Energy: 1.3097540602241262
Energy: 1.1058519736454042
Energy: 1.0968373220471637
Energy: 1.1058519736424006
Energy: 1.1279762830789228
Energy: 1.1232906308892467
Energy: 1.39050204029058
Energy: 1.1232906308880453
Energy: 1.1279762830825268
Energy: 1.123290630888646
Energy: 1.102985581888818
Energy: 1.0812916553245575
Energy: 1.4110402467076766
Energy: 1.08129165532696
Energy: 1.1029855818876166
Energy: 1.0812916553257585
Energy: 1.099545290127674
Energy: 1.1244185824468593
Energy: 1.1229250656300447
Energy: 1.1244185824480606
Energy: 1.0995452901288754
Energy: 1.1244185824480606
Energy: 1.097281441349799
Energy: 1.104705308645308
Energy: 1.3282324394712655
Energy: 1.1047053086441065
Energy: 1.0972814413491987
Energy: 1.1047053086459084
Energy: 0.889695713540607
Energy: 1.1233484742169284
Energy: 1.0947338556600676
Energy: 1.1233484742145259
Energy: 0.8896957135400062
Energy: 1.1233484742145259
Energy: 1.1066204885290705
Energy: 1.1043557385774287
Energy: 1.101731237409393
Energy: 1.1043557385774287
Energy: 1.106620488527869
Energy: 1.1043557385768283
Energy: 0.898051177337489
Energy: 1.1239302029568445
Energy: 0.9002457805969104
Energy: 1.1239302029580458
Energy: 0.8980511773380896
Energy: 1.1239302029580458
Energy: 1.098227992771414
Energy: 1.10324504315887
Energy: 1.0712483690574146
Energy: 1.10324504315887
Energy: 1.0982279927744172
Energy: 1.1032450431582692
Energy: 0.9119418343872261
Energy: 1.1236618105755578
Energy: 0.8921786334391889
Energy: 1.123661810573155
Energy: 0.9119418343860247
Energy: 1.1236618105737557
Energy: 1.3840936453877704
Energy: 1.1161503952183163
Energy: 0.8892465079479838
Energy: 1.116150395220719
Energy: 1.3840936453877704
Energy: 1.116150395220719
Energy: 0.9304512999174871
Energy: 1.124182215554189
Energy: 0.8920540024541398
Energy: 1.124182215553588
Energy: 0.9304512999180878
Energy: 1.124182215554189
Energy: 1.3826958538975094
Energy: 1.1050209997611613
Energy: 1.05869995316067
Energy: 1.1050209997623626
Energy: 1.3826958538969085
Energy: 1.105020999761762
Energy: 1.2540222808536257
Energy: 1.1232558960008403
Energy: 0.8957680810031475
Energy: 1.1232558960002397
Energy: 1.2540222808536257
Energy: 1.1232558960008403
Energy: 1.8587066930384124
Energy: 1.0543639665858784
Energy: 0.8894260324350682
Energy: 1.054363966586479
Energy: 1.8587066930396137
Energy: 1.0543639665852775
Energy: 1.1474253524512563
Energy: 1.1235954800068346
Energy: 1.1336081932909525
Energy: 1.1235954800074355
Energy: 1.1474253524464513
Energy: 1.1235954800074355
Energy: 1.5350603796449578
Energy: 1.0944371001110043
Energy: 0.9916208180723023
Energy: 1.0944371001104038
Energy: 1.535060379644357
Energy: 1.0944371001110043
Energy: 1.1223646696396257
Energy: 1.1231815354147612
Energy: 1.1135192064108062
Energy: 1.1231815354123584
Energy: 1.1223646696402263
Energy: 1.1231815354123584
Energy: 1.5400703652230914
Energy: 1.0248169265736147
Energy: 0.8896423538387004
Energy: 1.0248169265760172
Energy: 1.5400703652242926
Energy: 1.0248169265754168
Energy: 0.9171660753863182
Energy: 1.107478963316977
Energy: 1.122127717253405
Energy: 1.107478963316977
Energy: 0.9171660753833148
Energy: 1.107478963316977
Energy: 1.2350308075826752
Energy: 1.074542098588824
Energy: 0.8980740841444698
Energy: 1.074542098588824
Energy: 1.2350308075856786
Energy: 1.074542098588824
Energy: 0.90931994765178
Energy: 1.0772915708820752
Energy: 1.4161628511417959
Energy: 1.0772915708844777
Energy: 0.90931994765178
Energy: 1.0772915708826758
Energy: 1.4162355652413678
Energy: 1.0774137149022938
Energy: 0.9112037076985182
Energy: 1.0774137149028944
Energy: 1.416235565242569
Energy: 1.077413714901693
Energy: 0.897839849680819
Energy: 1.0748965657276284
Energy: 1.2357289897021608
Energy: 1.0748965657294303
Energy: 0.8978398496814197
Energy: 1.0748965657288294
Energy: 1.122072551791915
Energy: 1.107725828954664
Energy: 0.9306637241631183
Energy: 1.1077258289528622
Energy: 1.1220725517931163
Energy: 1.1077258289522613
Energy: 0.8897332939264246
Energy: 1.0227398909374676
Energy: 1.5403684660445316
Energy: 1.0227398909368668
Energy: 0.8897332939270254
Energy: 1.0227398909368668
Energy: 1.1135192064102053
Energy: 1.1229510808213667
Energy: 1.2531587195630687
Energy: 1.1229510808207661
Energy: 1.1135192064102053
Energy: 1.1229510808195646
Energy: 1.1010448509439454
Energy: 1.0944660309657832
Energy: 1.5337111105861851
Energy: 1.0944660309663836
Energy: 1.1010448509439454
Energy: 1.0944660309651824
Energy: 1.134613449783476
Energy: 1.1236186046022492
Energy: 1.1552330656535899
Energy: 1.1236186046028498
Energy: 1.1346134497840767
Energy: 1.1236186046028498
Energy: 0.8894080454786838
Energy: 1.052370360343527
Energy: 1.858180392344727
Energy: 1.0523703603399233
Energy: 0.8894080454798852
Energy: 1.0523703603405241
Energy: 0.8960201816543114
Energy: 1.1236209437082207
Energy: 1.254933041199879
Energy: 1.12362094370762
Energy: 0.8960201816543114
Energy: 1.12362094370762
Energy: 1.1015996776966979
Energy: 1.1043734676916221
Energy: 1.382718230321073
Energy: 1.104373467688619
Energy: 1.1015996776991004
Energy: 1.1043734676916221
Energy: 0.8919461652859612
Energy: 1.1239400826234969
Energy: 0.9310110435025767
Energy: 1.1239400826228962
Energy: 0.8919461652847599
Energy: 1.1239400826234969
Energy: 0.8892776750868571
Energy: 1.1161503952189171
Energy: 1.3885984010251624
Energy: 1.1161503952213196
Energy: 0.8892776750880584
Energy: 1.116150395220719
Energy: 0.8921831431342588
Energy: 1.1237913727760567
Energy: 0.9114614552891181
Energy: 1.1237913727748554
Energy: 0.8921831431348595
Energy: 1.1237913727748554

minimum gb energy = 0.8892465079479838 eV
minimum distance =  2.23048539919064 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.34441338748903283
Energy: 0.2911666931714665
Energy: 1.0473546377631597
Energy: 0.2911666931726753
Energy: 0.34441338748903283
Energy: 0.2911666931722648
Energy: 0.2751687645171521
Energy: 0.7100799215752666
Energy: 0.7023358829413665
Energy: 0.7100799215748789
Energy: 0.2751687645163538
Energy: 0.7100799215748789
Energy: 0.34441338748864514
Energy: 0.29116669317187704
Energy: 1.0473546377948646
Energy: 0.2911666931726753
Energy: 0.34441338748864514
Energy: 0.29116669317308597
Energy: 0.27516876451756267
Energy: 0.7100799215752666
Energy: 0.7023357136115762
Energy: 0.7100799215756771
Energy: 0.2751687645179504
Energy: 0.7100799215756771
Energy: 0.34441338748903283
Energy: 0.29116669317187704
Energy: 1.0473546378133172
Energy: 0.2911666931726753
Energy: 0.34441338748864514
Energy: 0.2911666931722648
Energy: 0.2751687645163538
Energy: 0.7100799215748789
Energy: 0.7023361783240988
Energy: 0.7100799215744683
Energy: 0.2751687645163538
Energy: 0.7100799215748789
Energy: 0.34441338748944345
Energy: 0.2911666931714665
Energy: 1.0473546377892304
Energy: 0.2911666931726753
Energy: 0.34441338748903283
Energy: 0.29116669317347366

minimum gb energy = 0.2751687645163538 eV
minimum distance =  2.40361728462886 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.5040025645635786
Energy: 1.131949885890183
Energy: 1.0196819870305236
Energy: 1.1319498859005128
Energy: 1.5040025645608968
Energy: 1.1319498858999666
Energy: 1.8947982029284551
Energy: 0.8810479109426574
Energy: 0.8739347091202907
Energy: 0.8810479109415648
Energy: 1.8947982029273625
Energy: 0.8810479109415648
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Energy: 1.4735376982990545
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Energy: 0.9163752663428567
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Energy: 1.1773272870343623
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Energy: 1.4405506776910932
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Energy: 1.0827721325479291
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Energy: 1.1526096691324628
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Energy: 1.1692243128025417
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Energy: 1.09143933181669
Energy: 0.9232112793989604
Energy: 1.0502613915248313
Energy: 1.4566270251901638
Energy: 1.050261391517183
Energy: 0.9232112793989604
Energy: 1.050261391518276
Energy: 0.9264717427529364
Energy: 1.0893004170252985
Energy: 1.1870098360423433
Energy: 1.089300417020382
Energy: 0.9264717427556678
Energy: 1.089300417020382
Energy: 0.8807027989053527
Energy: 1.0208555655525917
Energy: 1.460994705687368
Energy: 1.0208555655498601
Energy: 0.8807027989037137
Energy: 1.0208555655520455
Energy: 0.9276158348794109
Energy: 1.1011425444950047
Energy: 1.4678426205929795
Energy: 1.101142544498829
Energy: 0.9276158348788646
Energy: 1.101142544498829
Energy: 0.8733447717927137
Energy: 0.9277631778216365
Energy: 1.658833400005215
Energy: 0.9277631778194514
Energy: 0.8733447717916211
Energy: 0.9277631778210903
Energy: 0.871013710474622
Energy: 1.1097446325606977
Energy: 1.4092601498819715
Energy: 1.1097446325639753
Energy: 0.8710137104740757
Energy: 1.1097446325628826
Energy: 0.8645764702158594
Energy: 0.9220564224438874
Energy: 1.537681769235978
Energy: 0.9220564224417022
Energy: 0.8645764702153131
Energy: 0.9220564224417022
Energy: 0.9302267073540194
Energy: 1.1030257071912297
Energy: 1.4659177117748414
Energy: 1.1030257071884983
Energy: 0.9302267073551119
Energy: 1.1030257071884983
Energy: 0.8761500547441351
Energy: 0.9231850329626506
Energy: 1.60889753810415
Energy: 0.9231850329637432
Energy: 0.8761500547441351
Energy: 0.9231850329626506
Energy: 0.922410822754468
Energy: 1.0894273425208556
Energy: 1.1867633739246444
Energy: 1.0894273425252259
Energy: 0.922410822754468
Energy: 1.0894273425246794
Energy: 0.9311399676928926
Energy: 1.049563076492476
Energy: 1.3314626081543937
Energy: 1.0495630764935686
Energy: 0.9311399676918
Energy: 1.049563076494661
Energy: 1.1821152009891052
Energy: 1.0796586028863884
Energy: 1.1681446104218947
Energy: 1.0796586028836568
Energy: 1.1821152009907439
Energy: 1.0796586028836568

minimum gb energy = 0.8581266030725636 eV
minimum distance =  2.26076945526994 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.402171843620738
Energy: 1.2639288818203622
Energy: 1.371899130803954
Energy: 1.2639288818218617
Energy: 1.4021718436199884
Energy: 1.2639288818226115
Energy: 1.6849280668989897
Energy: 0.9962517128093094
Energy: 0.9784020203398546
Energy: 0.9962517128070599
Energy: 1.6849280668989897
Energy: 0.9962517128070599
Energy: 1.316744950004111
Energy: 1.2571333236991167
Energy: 0.9979223048259894
Energy: 1.2571333236991167
Energy: 1.3167449500063606
Energy: 1.2571333236983668
Energy: 1.2689771164377113
Energy: 0.9771205922560995
Energy: 0.9781780201017949
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Energy: 1.2689771164369616
Energy: 0.9771205922560995
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Energy: 1.21706049361701
Energy: 0.9592996031751648
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Energy: 1.0054272656210286
Energy: 1.21706049361701
Energy: 1.1317965905004757
Energy: 1.199536920551502
Energy: 0.9701282530486702
Energy: 1.199536920552252
Energy: 1.1317965904997258
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Energy: 1.379583074446192
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Energy: 0.9717569550559513
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Energy: 1.6747759316858535
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Energy: 0.9717569550567011
Energy: 1.2331928006656159
Energy: 0.9790361772179274
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Energy: 1.2914854041315795
Energy: 1.2229174349142162
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Energy: 1.222917434914966
Energy: 0.9787631519602054
Energy: 1.2614968498240295
Energy: 1.2711448743620237
Energy: 1.2614968498247796
Energy: 0.9787631519594555
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Energy: 0.972554152740143
Energy: 1.24286788061895
Energy: 0.9932348589059645
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Energy: 0.9725541527393932
Energy: 1.2428678806204496
Energy: 0.9719155904122393
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Energy: 1.283034209865312
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Energy: 0.9719155904114896
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Energy: 1.2679954962608921
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Energy: 1.2683958440326946
Energy: 1.245338895110946
Energy: 1.2853330607174993
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Energy: 0.9782289912899186
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Energy: 1.2853330607174993
Energy: 1.2429348073257371
Energy: 1.2851323324687782
Energy: 1.2223542962267542
Energy: 1.3033057822353482
Energy: 1.222354296227504
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Energy: 1.2223542962282536
Energy: 1.6701515363195494
Energy: 1.2327082602318378
Energy: 0.9683620186482205
Energy: 1.2327082602325876
Energy: 1.67015153631805
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Energy: 1.6699315547156366
Energy: 1.2328522482567068
Energy: 0.9684577221525764
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Energy: 1.6699315547156366
Energy: 1.2328522482552071
Energy: 1.2850618129967122
Energy: 1.222356935444431
Energy: 1.3030390493527197
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Energy: 1.2850618129967122
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Energy: 1.2851637938257043
Energy: 1.2428805906000004
Energy: 0.9782224993213263
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Energy: 1.2851637938257043
Energy: 1.2428805906007505
Energy: 1.2683336741261861
Energy: 1.2450894133862025
Energy: 0.9605136617158169
Energy: 1.2450894133869523
Energy: 1.2683336741261861
Energy: 1.2450894133862025
Energy: 1.2680663308840994
Energy: 1.2224120143163208
Energy: 0.9702054878261295
Energy: 1.2224120143170705
Energy: 1.2680663308840994
Energy: 1.2224120143163208
Energy: 0.9718803985486373
Energy: 1.1996973441551673
Energy: 1.2886715913520295
Energy: 1.1996973441551673
Energy: 0.9718803985486373
Energy: 1.1996973441551673
Energy: 0.9725819891062302
Energy: 1.242911913235291
Energy: 0.9932750927182938
Energy: 1.2429119132345414
Energy: 0.9725819891062302
Energy: 1.2429119132345414
Energy: 0.978996436883877
Energy: 1.2614968498247796
Energy: 1.2687058276680565
Energy: 1.2614968498255295
Energy: 0.9789964368846269
Energy: 1.2614968498247796
Energy: 0.977876148024838
Energy: 1.2225323716037055
Energy: 1.2907968099093405
Energy: 1.222532371601456
Energy: 0.9778761480255879
Energy: 1.222532371602206
Energy: 0.9718023295465262
Energy: 1.2331921224082165
Energy: 1.6748913417392155
Energy: 1.2331921224089664
Energy: 0.9718023295480258
Energy: 1.2331921224089664
Energy: 0.9682462278586176
Energy: 1.2427539026818677
Energy: 1.3797644121829167
Energy: 1.242753902681118
Energy: 0.9682462278563683
Energy: 1.2427539026818677
Energy: 0.9795982234293485
Energy: 1.1035436777076333
Energy: 1.5078833646138008
Energy: 1.103543677711382
Energy: 0.9795982234293485
Energy: 1.1035436777061338
Energy: 0.9818708050170607
Energy: 1.2222859919298996
Energy: 1.2922923424457078
Energy: 1.2222859919291496
Energy: 0.9818708050185603
Energy: 1.2222859919291496
Energy: 0.9720097498842311
Energy: 1.1001050973637503
Energy: 1.4975146186837274
Energy: 1.1001050973225124
Energy: 0.9720097498849808
Energy: 1.1001050973877433
Energy: 0.9614980790920956
Energy: 1.1953322675572562
Energy: 0.9930659108751339
Energy: 1.1953322675587559
Energy: 0.9614980790928456
Energy: 1.195332267558006
Energy: 0.9824564926213334
Energy: 1.2215974758739443
Energy: 1.1300113444707047
Energy: 1.2215974758731942
Energy: 0.9824564926205837
Energy: 1.2215974758739443

minimum gb energy = 0.9592996031751648 eV
minimum distance =  2.22666270304944 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.5401377363471331
Energy: 1.3669425445465664
Energy: 1.2359200877676686
Energy: 1.3669425445456453
Energy: 1.5401377363471331
Energy: 1.3669425445456453
Energy: 1.6895973903748331
Energy: 1.0885605486028982
Energy: 1.0482909641035811
Energy: 1.0885605486249803
Energy: 1.689597390373912
Energy: 1.088560548600135
Energy: 1.0992577605623652
Energy: 1.337702902169116
Energy: 1.2425432551519964
Energy: 1.3377029021700373
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Energy: 1.228532078417601
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Energy: 1.0549872115888361
Energy: 1.3414891314120716
Energy: 1.1574350315243953
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Energy: 1.3149373044993788
Energy: 1.040011358005254
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Energy: 1.248650499221121
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Energy: 1.0400925706456545
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Energy: 1.0803742340109992
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Energy: 1.0716293019693413
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Energy: 1.051145902483504
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Energy: 1.3301245851942047
Energy: 1.45392765900482
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Energy: 1.3301245851960468
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Energy: 1.3454489270634051
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Energy: 1.0487369600206642
Energy: 1.3076842324549558
Energy: 1.080306701967628
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Energy: 1.0514407561993475
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Energy: 1.3395936275414506
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Energy: 1.0384412949887412
Energy: 1.3308871503210566
Energy: 1.0399413003194908
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Energy: 1.3308871503210566
Energy: 1.0400976528181385
Energy: 1.314889825232344
Energy: 1.0350875590075517
Energy: 1.3148898252341856
Energy: 1.0400976528181385
Energy: 1.314889825233265
Energy: 1.4178569765752373
Energy: 1.1901051047010296
Energy: 1.0487910043094875
Energy: 1.1901051047019506
Energy: 1.417856976574316
Energy: 1.1901051047019506
Energy: 1.4188374197490605
Energy: 1.307590926216066
Energy: 1.3472561765210758
Energy: 1.307590926215145
Energy: 1.4188374197490605
Energy: 1.307590926215145
Energy: 1.450644539320801
Energy: 1.33900455687766
Energy: 1.0432048541407966
Energy: 1.339004556878581
Energy: 1.450644539320801
Energy: 1.339004556878581
Energy: 1.4520036959866292
Energy: 1.3404885408147391
Energy: 1.0435064966652088
Energy: 1.340488540813818
Energy: 1.4520036959866292
Energy: 1.340488540813818
Energy: 1.4180537340541246
Energy: 1.3569395193571498
Energy: 1.0397132915586027
Energy: 1.3569395193562288
Energy: 1.4180537340532036
Energy: 1.3569395193562288
Energy: 1.4188559141113068
Energy: 1.3731013277900201
Energy: 1.0398080253634014
Energy: 1.3731013277900201
Energy: 1.4188559141113068
Energy: 1.3731013277900201
Energy: 1.0384614482502612
Energy: 1.3147471552482974
Energy: 1.036516214488816
Energy: 1.3147471552482974
Energy: 1.0384614482502612
Energy: 1.3147471552482974
Energy: 1.0403086310437484
Energy: 1.3304933980426046
Energy: 1.0386652355765749
Energy: 1.3304933980435252
Energy: 1.0403086310437484
Energy: 1.3304933980435252
Energy: 1.049172903347332
Energy: 1.3410151259896532
Energy: 1.0383501477837236
Energy: 1.341015125990574
Energy: 1.049172903347332
Energy: 1.341015125990574
Energy: 1.0514024887136024
Energy: 1.3725791070058828
Energy: 1.082040234652214
Energy: 1.3725791070049616
Energy: 1.0514024887145232
Energy: 1.3725791070049616
Energy: 1.040118749944929
Energy: 1.3440846124994297
Energy: 1.4186199191069953
Energy: 1.3440846124985089
Energy: 1.040118749944929
Energy: 1.3440846124985089
Energy: 1.043098331148046
Energy: 1.3409531885141415
Energy: 1.453083575212333
Energy: 1.3409531885132207
Energy: 1.043098331148046
Energy: 1.3409531885132207
Energy: 1.0522076631813562
Energy: 1.3306001023497986
Energy: 1.3008209826347172
Energy: 1.3306001023507197
Energy: 1.0522076631822772
Energy: 1.3306001023507197
Energy: 1.073086046720346
Energy: 1.307078535703889
Energy: 1.0819240988028191
Energy: 1.3070785357029682
Energy: 1.073086046720346
Energy: 1.307078535703889
Energy: 1.0406967069637938
Energy: 1.1905872592589517
Energy: 1.2491024299799671
Energy: 1.1905872592589517
Energy: 1.0406967069637938
Energy: 1.1905872592589517
Energy: 1.0559145861003296
Energy: 1.3157461456615926
Energy: 1.0384474397922334
Energy: 1.3157461456615926
Energy: 1.0559145861012509
Energy: 1.3157461456615926

minimum gb energy = 1.0350079671780488 eV
minimum distance =  2.23041490343417 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.2133385063374709
Energy: 1.4801980467216505
Energy: 1.597529098706585
Energy: 1.4801980467204578
Energy: 1.2133385063374709
Energy: 1.4801980467204578
Energy: 1.4235543188388673
Energy: 1.215278419995095
Energy: 1.1290617838954184
Energy: 1.2152784199939026
Energy: 1.42355431884006
Energy: 1.215278419995095
Energy: 1.144343363990395
Energy: 1.4712296602942858
Energy: 1.3413020949802634
Energy: 1.4712296602942858
Energy: 1.144343363990395
Energy: 1.4712296602930934
Energy: 1.1568770631124463
Energy: 1.1515505445738838
Energy: 1.1325581090973966
Energy: 1.1515505445738838
Energy: 1.1568770631112537
Energy: 1.1515505445738838
Energy: 1.1289312187462994
Energy: 1.1567513614897118
Energy: 1.1394578511350468
Energy: 1.1567513614885194
Energy: 1.128931218745107
Energy: 1.1567513614897118
Energy: 1.146214537696167
Energy: 1.456516520616007
Energy: 1.1319371865048515
Energy: 1.456516520616007
Energy: 1.1462145376973598
Energy: 1.456516520616007
Energy: 1.1433789511000643
Energy: 1.3335893914620425
Energy: 1.4236598284790665
Energy: 1.3335893914644277
Energy: 1.1433789511000643
Energy: 1.3335893914644277
Energy: 1.144046507437277
Energy: 1.4648972416019728
Energy: 1.193890679945954
Energy: 1.4648972415995882
Energy: 1.1440465074384694
Energy: 1.4648972415995882
Energy: 1.1290192404917734
Energy: 1.1950068681743191
Energy: 1.4187732998977447
Energy: 1.1950068681683568
Energy: 1.1290192404929658
Energy: 1.1950068681612018
Energy: 1.1495233905858826
Energy: 1.456598489320474
Energy: 1.1287484066651228
Energy: 1.456598489320474
Energy: 1.1495233905858826
Energy: 1.456598489320474
Energy: 1.143067648822552
Energy: 1.1403178937698408
Energy: 1.1391790672715663
Energy: 1.1403178937674563
Energy: 1.143067648822552
Energy: 1.1403178937674563
Energy: 1.129444035871699
Energy: 1.3236417389089359
Energy: 1.128839244655999
Energy: 1.3236417389089359
Energy: 1.1294440358693143
Energy: 1.323641738907743
Energy: 1.1290576119187827
Energy: 1.4568734067430298
Energy: 1.1943705320748754
Energy: 1.456873406744195
Energy: 1.1290576119187827
Energy: 1.456873406744195
Energy: 1.4084835569485175
Energy: 1.3212407714888992
Energy: 1.1423094646432306
Energy: 1.3212407714888992
Energy: 1.4084835569497098
Energy: 1.3212407714900916
Energy: 1.6638231650594417
Energy: 1.4639533782660286
Energy: 1.142397000097375
Energy: 1.4639533782660286
Energy: 1.6638231650606343
Energy: 1.463953378267221
Energy: 1.129524523558341
Energy: 1.4881244723867526
Energy: 1.1289880223518458
Energy: 1.488124472387945
Energy: 1.1295245235595335
Energy: 1.4881244723891376
Energy: 1.1293138203491535
Energy: 1.3336374111197997
Energy: 1.1423160814203746
Energy: 1.3336374111197997
Energy: 1.1293138203503459
Energy: 1.3336374111209925
Energy: 1.1435102805377892
Energy: 1.3471608149557515
Energy: 1.1438745898630196
Energy: 1.3471608149569438
Energy: 1.1435102805389818
Energy: 1.347160814952174
Energy: 1.1422860424527759
Energy: 1.3334477892741905
Energy: 1.1293184380687142
Energy: 1.3334477892741905
Energy: 1.1422860424539683
Energy: 1.333447789275383
Energy: 1.129022050601109
Energy: 1.4879199116530066
Energy: 1.1294706912736459
Energy: 1.487919911654199
Energy: 1.1290220505999162
Energy: 1.4879199116518143
Energy: 1.1426617902146714
Energy: 1.4638093906923142
Energy: 1.6633499314212346
Energy: 1.4638093906923142
Energy: 1.1426617902146714
Energy: 1.4638093906935068
Energy: 1.1420279306485805
Energy: 1.3304631583025839
Energy: 1.408962938736939
Energy: 1.3304631583037763
Energy: 1.1420279306485805
Energy: 1.3304631583037763
Energy: 1.1638557994859375
Energy: 1.4569424017707002
Energy: 1.1290615246282254
Energy: 1.4569424017718928
Energy: 1.1638557994859375
Energy: 1.4569424017718928
Energy: 1.1287830434100048
Energy: 1.324457438544436
Energy: 1.129428097096002
Energy: 1.3244574385456287
Energy: 1.1287830434088124
Energy: 1.3244574385456287

minimum gb energy = 1.1287484066651228 eV
minimum distance =  2.22320562145238 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.2503337691215517
Energy: 1.250366473384302
Energy: 1.800983637695503
Energy: 1.250366473384302
Energy: 1.2503337691215517
Energy: 1.250366473384302
Energy: 1.2799325704577238
Energy: 1.2525497412609663
Energy: 1.252184287343971
Energy: 1.2525497412609663
Energy: 1.2799325704577238
Energy: 1.2525497412609663
Energy: 1.2712605414698328
Energy: 1.2676215935240085
Energy: 1.4513678332081208
Energy: 1.2676215935240085
Energy: 1.2712605414698328
Energy: 1.267621593525695
Energy: 1.2681954342474016
Energy: 1.2530064424729186
Energy: 1.2515874170083585
Energy: 1.2530064424762914
Energy: 1.2681954342474016
Energy: 1.2530064424847231
Energy: 1.2525876465118546
Energy: 1.271892837854888
Energy: 1.265397562224162
Energy: 1.2718928378565744
Energy: 1.2525876465118546
Energy: 1.271892837854888
Energy: 1.2568982978913326
Energy: 1.2506357166171898
Energy: 1.2348579556591173
Energy: 1.2506357166188764
Energy: 1.2568982978913326
Energy: 1.2506357166188764
Energy: 1.2591249808700302
Energy: 1.387475450608644
Energy: 1.2786462994911612
Energy: 1.387475450608644
Energy: 1.2591249808700302
Energy: 1.3874754506103302
Energy: 1.2589153605859922
Energy: 1.366301575882149
Energy: 1.2514322078277307
Energy: 1.3663015758804626
Energy: 1.2589153605859922
Energy: 1.3663015758804626
Energy: 1.25257484466071
Energy: 1.2667934282831472
Energy: 1.3756119402178
Energy: 1.2667934282848337
Energy: 1.2525748446590237
Energy: 1.2667934282848337
Energy: 1.2350987230801425
Energy: 1.2246251309601397
Energy: 1.2528960822842925
Energy: 1.2246251309601397
Energy: 1.2350987230801425
Energy: 1.2246251309601397
Energy: 1.2357760370642812
Energy: 1.4683061223057672
Energy: 1.254440273611612
Energy: 1.468306122307454
Energy: 1.2357760370642812
Energy: 1.468306122304081
Energy: 1.2635680757451098
Energy: 1.2659736753838564
Energy: 1.2551694721545297
Energy: 1.26597367538217
Energy: 1.2635680757451098
Energy: 1.26597367538217
Energy: 1.2526169504346159
Energy: 1.3678052917960557
Energy: 1.2562522073080287
Energy: 1.3678052917960557
Energy: 1.252616950436302
Energy: 1.3678052917960557
Energy: 1.2578987228560443
Energy: 1.2668335851441581
Energy: 1.2528577051508896
Energy: 1.2668335851441581
Energy: 1.2578987228560443
Energy: 1.2668335851441581
Energy: 1.2607047707410228
Energy: 1.4807814528985284
Energy: 1.2350143030494742
Energy: 1.480781452896842
Energy: 1.2607047707410228
Energy: 1.480781452896842
Energy: 1.2566098866558022
Energy: 1.4697796457909476
Energy: 1.2369351859799134
Energy: 1.469779645802752
Energy: 1.2566098866541155
Energy: 1.469779645811184
Energy: 1.2550498423197298
Energy: 1.2661289989863933
Energy: 1.2641361148479162
Energy: 1.2661289989863933
Energy: 1.2550498423197298
Energy: 1.2661289989847069

minimum gb energy = 1.2246251309601397 eV
minimum distance =  2.22782236645631 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.698668419561963
Energy: 1.6913750927755402
Energy: 1.7604820916475838
Energy: 1.6913750927748887
Energy: 1.6986684195632655
Energy: 1.6913750927748887
Energy: 1.5270315514757276
Energy: 1.3009746284631962
Energy: 1.2871676794008498
Energy: 1.3009746284631962
Energy: 1.527031551474425
Energy: 1.3009746284599402
Energy: 1.2879868804424663
Energy: 1.3469889712024394
Energy: 1.3242914545166
Energy: 1.3469889707799707
Energy: 1.2879868804437686
Energy: 1.346988971255159
Energy: 1.325130581570928
Energy: 1.567317430554351
Energy: 1.3346066156973386
Energy: 1.5673174305563045
Energy: 1.3251305815689742
Energy: 1.567317430554351
Energy: 1.2893036096496184
Energy: 1.3479682316094046
Energy: 1.5333064593991232
Energy: 1.3479682316067996
Energy: 1.2893036096476649
Energy: 1.3479682316094046
Energy: 1.354657654898938
Energy: 1.5732213212557742
Energy: 1.354857066185141
Energy: 1.5732213212590305
Energy: 1.354657654898938
Energy: 1.573221321258379
Energy: 1.286017417654506
Energy: 1.3553076013252108
Energy: 1.5234781759248064
Energy: 1.3553076013076275
Energy: 1.2860174176532035
Energy: 1.3553076013043714
Energy: 1.6153417791177862
Energy: 1.4332066392456773
Energy: 1.289732962735355
Energy: 1.4332066392489333
Energy: 1.6153417791184377
Energy: 1.4332066392495846
Energy: 1.3519260541626719
Energy: 1.6391390950553746
Energy: 1.3099084629760533
Energy: 1.639139095056677
Energy: 1.3519260541633231
Energy: 1.6391390950573281
Energy: 1.6155323562245174
Energy: 1.348948321382912
Energy: 1.2863487298149703
Energy: 1.3489483213868196
Energy: 1.6155323562245174
Energy: 1.348948321388122
Energy: 1.330442003457131
Energy: 1.6374303003157507
Energy: 1.3360939078154788
Energy: 1.6374303003137969
Energy: 1.330442003457131
Energy: 1.6374303003137969
Energy: 1.321334641758566
Energy: 1.576320811316346
Energy: 1.286210767336759
Energy: 1.5763208113143923
Energy: 1.321334641758566
Energy: 1.5763208113156948
Energy: 1.2912811765391474
Energy: 1.432680361794379
Energy: 1.6807027885443089
Energy: 1.43268036179503
Energy: 1.291281176537845
Energy: 1.432680361791774
Energy: 1.3019951819834124
Energy: 1.5525654284112065
Energy: 1.6815163199868959
Energy: 1.5525654282230907
Energy: 1.3019951819847146
Energy: 1.5525654280902996
Energy: 1.3011479091619085
Energy: 1.6471646521382985
Energy: 1.3404525193614814
Energy: 1.6471646521363448
Energy: 1.3011479091638622
Energy: 1.6471646521363448
Energy: 1.3334757548454879
Energy: 1.635723729416839
Energy: 1.2863070219010497
Energy: 1.635723729416839
Energy: 1.3334757548441853
Energy: 1.635723729414234
Energy: 1.3276027848980239
Energy: 1.6639604986021785
Energy: 1.3029724530191884
Energy: 1.66396049860283
Energy: 1.3276027848973726
Energy: 1.66396049860283
Energy: 1.6702241786359946
Energy: 1.5331812402598033
Energy: 1.3097274532846144
Energy: 1.5331812402663154
Energy: 1.6702241786366459
Energy: 1.5331812402617566
Energy: 1.6667286031854593
Energy: 1.5376640235063885
Energy: 1.286491052956826
Energy: 1.5376640235057373
Energy: 1.6667286031880642
Energy: 1.5376640235057373
Energy: 1.2870439841024903
Energy: 1.5256166530597095
Energy: 1.289706613906232
Energy: 1.5256166530558024
Energy: 1.2870439840998853
Energy: 1.5256166530558024
Energy: 1.2865142637392386
Energy: 1.5378931106940115
Energy: 1.6668304487436656
Energy: 1.5378931106998723
Energy: 1.2865142637392386
Energy: 1.53789311069857
Energy: 1.3096983617277647
Energy: 1.5329463163349997
Energy: 1.670347989416546
Energy: 1.5329463163330463
Energy: 1.3096983617264624
Energy: 1.5329463163356511
Energy: 1.3033520934699572
Energy: 1.663879382832234
Energy: 1.3285288564118238
Energy: 1.6638793828328853
Energy: 1.3033520934699572
Energy: 1.6638793828335363
Energy: 1.2863549761408448
Energy: 1.6083901512782193
Energy: 1.3327796786957782
Energy: 1.608390151280173
Energy: 1.2863549761414963
Energy: 1.6083901512808243
Energy: 1.3374937101208917
Energy: 1.6471076551833717
Energy: 1.3012469825055801
Energy: 1.647107655184674
Energy: 1.3374937101202404
Energy: 1.647107655184674
Energy: 1.681530379579333
Energy: 1.5585274295785785
Energy: 1.3022464125803628
Energy: 1.5585274312658184
Energy: 1.681530379578682
Energy: 1.5585274295408371
Energy: 1.6806130773705634
Energy: 1.4325117651485808
Energy: 1.2913598311047754
Energy: 1.4325117651505346
Energy: 1.6806130773705634
Energy: 1.4325117651472783
Energy: 1.2861275986032121
Energy: 1.5712548499912236
Energy: 1.3115237493590617
Energy: 1.5712548499651746
Energy: 1.2861275986025609
Energy: 1.5712548499912236
Energy: 1.3375957542326653
Energy: 1.6379233099087358
Energy: 1.3299834855274075
Energy: 1.6379233099067823
Energy: 1.3375957542333163
Energy: 1.6379233099087358
Energy: 1.2866818802688798
Energy: 1.4560864264047677
Energy: 1.6152487490566285
Energy: 1.4560864264073727
Energy: 1.2866818802701823
Energy: 1.4560864264060704
Energy: 1.3068843704166087
Energy: 1.6397727791038432
Energy: 1.3597632277640461
Energy: 1.6397727791018897
Energy: 1.3068843704166087
Energy: 1.6397727791012384
Energy: 1.2894991775374296
Energy: 1.4333671141945292
Energy: 1.6151122524743737
Energy: 1.4333671141945292
Energy: 1.2894991775374296
Energy: 1.4333671141951805
Energy: 1.523176831328359
Energy: 1.3510870958306627
Energy: 1.2860668370104433
Energy: 1.3510870960109638
Energy: 1.523176831330964
Energy: 1.3510870955455438
Energy: 1.3556597908546815
Energy: 1.5728372331898286
Energy: 1.3564816717278032
Energy: 1.5728372331956895
Energy: 1.3556597908507741
Energy: 1.5728372331917821
Energy: 1.5234879731857043
Energy: 1.3479682316041948
Energy: 1.2908933355072085
Energy: 1.3479682315996362
Energy: 1.523487973188309
Energy: 1.3479682316041948
Energy: 1.3348560685028603
Energy: 1.568422037237715
Energy: 1.3229903921336477
Energy: 1.56842203724032
Energy: 1.3348560685015576
Energy: 1.5684220372370639
Energy: 1.3190309736439092
Energy: 1.3465127162933266
Energy: 1.2880027851847307
Energy: 1.346512716130579
Energy: 1.3190309737317951
Energy: 1.3465127160407686
Energy: 1.2870791545212434
Energy: 1.3064672895389844
Energy: 1.5289651532340969
Energy: 1.3064672895396356
Energy: 1.287079154523197
Energy: 1.3064672895383334
Energy: 1.537688472113508
Energy: 1.6913750927755402
Energy: 1.6986684195704291
Energy: 1.6913750927748887
Energy: 1.5376884721141593
Energy: 1.6913750927748887
Energy: 1.2871676793975937
Energy: 1.3009746284638473
Energy: 1.5270315514750763
Energy: 1.3009746284638473
Energy: 1.287167679398245
Energy: 1.3009746284644985
Energy: 1.3242914545087852
Energy: 1.3469889707851805
Energy: 1.2879868804444201
Energy: 1.346988970845064
Energy: 1.324291454508134
Energy: 1.3469889709075518
Energy: 1.3346066156966876
Energy: 1.5673174305556532
Energy: 1.325130581562462
Energy: 1.567317430554351
Energy: 1.3346066156960363
Energy: 1.5673174305536997
Energy: 1.533306459398472
Energy: 1.3479682316035435
Energy: 1.2893036096509212
Energy: 1.347968231608102
Energy: 1.5333064593997745
Energy: 1.347968231608102

minimum gb energy = 1.2860174176532035 eV
minimum distance =  2.20964917522137 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.4003997571465496
Energy: 1.6581182964544816
Energy: 1.4753016555101048
Energy: 1.6581182964481196
Energy: 1.4003997571486704
Energy: 1.6581182964481196
Energy: 1.3702208469849246
Energy: 1.3118144372462084
Energy: 1.3070363448306408
Energy: 1.3118144372472689
Energy: 1.3702208469838646
Energy: 1.3118144372472689
Energy: 1.278555237994414
Energy: 1.3862780614275374
Energy: 1.5951099821645947
Energy: 1.3862780614190546
Energy: 1.2785552379954743
Energy: 1.3862780614190546
Energy: 1.3897506667571733
Energy: 1.3841250340818076
Energy: 1.361400245218769
Energy: 1.3841250340786264
Energy: 1.389750666759294
Energy: 1.3841250340807472
Energy: 1.2820351586445244
Energy: 1.3860198654399132
Energy: 1.382766741761488
Energy: 1.386019865442034
Energy: 1.2820351586466452
Energy: 1.3860198654430942
Energy: 1.380473324071942
Energy: 1.3683561053917739
Energy: 1.3597823183823816
Energy: 1.3683561053960152
Energy: 1.3804733240698213
Energy: 1.3683561053896531
Energy: 1.281849295913754
Energy: 1.3821081800670936
Energy: 1.3237251315852363
Energy: 1.382108178983895
Energy: 1.281849295912694
Energy: 1.3821081772838602
Energy: 1.6372790111709612
Energy: 1.338643356005535
Energy: 1.307168467851183
Energy: 1.3386433558624842
Energy: 1.6372790111720217
Energy: 1.3386433559546864
Energy: 1.3947123722321553
Energy: 1.6980598050560138
Energy: 1.3221858381448024
Energy: 1.6980598050602553
Energy: 1.3947123722310948
Energy: 1.6980598050581346
Energy: 1.3623660258338235
Energy: 1.3098433489942973
Energy: 1.3088938773544414
Energy: 1.3098433489974783
Energy: 1.3623660258338235
Energy: 1.3098433489953576
Energy: 1.2818760587705564
Energy: 1.47897395569605
Energy: 1.3638462088855428
Energy: 1.4789739556759032
Energy: 1.2818760587726772
Energy: 1.4789739559430155
Energy: 1.3761218430252815
Energy: 1.3660700177538483
Energy: 1.3524275074283163
Energy: 1.3660700177559688
Energy: 1.3761218430252815
Energy: 1.3660700177538483
Energy: 1.2867537925404926
Energy: 1.530882063328094
Energy: 1.3641878624120596
Energy: 1.5308820633206714
Energy: 1.2867537925394323
Energy: 1.5308820633174904
Energy: 1.3706559531378015
Energy: 1.4243251062985094
Energy: 1.352677150949253
Energy: 1.4243251062995697
Energy: 1.370655953136741
Energy: 1.4243251063006301
Energy: 1.2861873413516411
Energy: 1.3836738392731913
Energy: 1.3233850296404033
Energy: 1.3836738392816261
Energy: 1.2861873413527014
Energy: 1.3836738392805656
Energy: 1.637003137605537
Energy: 1.5763435892157933
Energy: 1.3085292764282155
Energy: 1.5763435892232156
Energy: 1.6370033204987788
Energy: 1.5763435892200346
Energy: 1.3851120072821483
Energy: 1.5431591901681176
Energy: 1.3178545863014985
Energy: 1.5431591901617554
Energy: 1.3851120072800276
Energy: 1.5431591901617554
Energy: 1.369145540621604
Energy: 1.3843388170291437
Energy: 1.3138897880870601
Energy: 1.384338817108622
Energy: 1.369145540621604
Energy: 1.3843388169528463
Energy: 1.2864471678749252
Energy: 1.529108071272185
Energy: 1.3553121301952666
Energy: 1.5291080712774865
Energy: 1.286447167877046
Energy: 1.5291080712764262
Energy: 1.3775400243964973
Energy: 1.5434404498206924
Energy: 1.3515313524583514
Energy: 1.543440449952128
Energy: 1.3775400243975577
Energy: 1.5434404497560592
Energy: 1.2943188151665865
Energy: 1.5250868932151689
Energy: 1.35553533335712
Energy: 1.5250868932077468
Energy: 1.2943188151665865
Energy: 1.525086893211988
Energy: 1.2797823072972827
Energy: 1.535884677786673
Energy: 1.3516770742812383
Energy: 1.5358846777824318
Energy: 1.2797823072983432
Energy: 1.5358846777824318
Energy: 1.289214914242512
Energy: 1.374933155492718
Energy: 1.3175031868044247
Energy: 1.3749331554905972
Energy: 1.289214914241452
Energy: 1.37493315549908
Energy: 1.386097206362895
Energy: 1.5457751524984589
Energy: 1.3138508704029557
Energy: 1.5457751524920966
Energy: 1.386097206362895
Energy: 1.5457751524920966
Energy: 1.3868939635373208
Energy: 1.546815308490986
Energy: 1.3132322546933541
Energy: 1.5468153084835636
Energy: 1.3868939635383808
Energy: 1.5468153084846237
Energy: 1.2794140118465411
Energy: 1.3732791077914355
Energy: 1.3192458249149377
Energy: 1.3732791077850732
Energy: 1.2794140118433603
Energy: 1.3732791077935078
Energy: 1.2894505451873841
Energy: 1.5369511681616943
Energy: 1.3504845921640984
Energy: 1.5369511681595736
Energy: 1.2894505451863238
Energy: 1.5369511681585133

minimum gb energy = 1.278555237994414 eV
minimum distance =  2.23363106354761 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.4550895264407477
Energy: 1.6439657133868548
Energy: 1.447621747541429
Energy: 1.6439657133961258
Energy: 1.455089526439975
Energy: 1.6439657133961258
Energy: 1.389512091452292
Energy: 1.3572041200495006
Energy: 1.3231308970452509
Energy: 1.357204120048728
Energy: 1.389512091452292
Energy: 1.3572041200479557
Energy: 1.3260431051352861
Energy: 1.435892169907565
Energy: 1.6035937349141256
Energy: 1.43589216990911
Energy: 1.3260431051352861
Energy: 1.4358921699083378
Energy: 1.4429614904134564
Energy: 1.6179773682473555
Energy: 1.406322166239405
Energy: 1.617977368250446
Energy: 1.4429614904165466
Energy: 1.6179773682481278
Energy: 1.3264280009036362
Energy: 1.4062734309760898
Energy: 1.4179248151739003
Energy: 1.4062734309776348
Energy: 1.3264280009036362
Energy: 1.4062734309722267
Energy: 1.39878668567754
Energy: 1.4231552357879864
Energy: 1.324484988496496
Energy: 1.423155235764809
Energy: 1.3987866856798576
Energy: 1.4231552357787154
Energy: 1.3255962988200614
Energy: 1.404739366407264
Energy: 1.3570710896133833
Energy: 1.404739370515551
Energy: 1.3255962988192889
Energy: 1.4047393667802786
Energy: 1.4345351984505432
Energy: 1.404731979791359
Energy: 1.3274357896746634
Energy: 1.4047319797905868
Energy: 1.4345351984513155
Energy: 1.4047319797898141
Energy: 1.4042158666258284
Energy: 1.6165583544922386
Energy: 1.4180555458937714
Energy: 1.6165583544930109
Energy: 1.4042158666258284
Energy: 1.6165583544914657
Energy: 1.5332107245677595
Energy: 1.440859169022457
Energy: 1.3254966785440665
Energy: 1.4408591690888637
Energy: 1.5332107245677595
Energy: 1.4408591690031427
Energy: 1.3243575041427118
Energy: 1.3759387442759872
Energy: 1.622290836253998
Energy: 1.3759387442759872
Energy: 1.324357504141939
Energy: 1.3759387442775324
Energy: 1.3578087745956284
Energy: 1.5929555548319354
Energy: 1.4427315725866612
Energy: 1.5929555551941341
Energy: 1.357808774590993
Energy: 1.592955554655858
Energy: 1.328406364205971
Energy: 1.3623629340539802
Energy: 1.4312598727203667
Energy: 1.3623629340454817
Energy: 1.3284063642067434
Energy: 1.3623629340454817
Energy: 1.4038317065978925
Energy: 1.4851341317350268
Energy: 1.325580419932933
Energy: 1.4851341317350268
Energy: 1.4038317065994377
Energy: 1.4851341317357996
Energy: 1.4003860490309283
Energy: 1.6169736124750855
Energy: 1.3585195199754698
Energy: 1.6169736124743128
Energy: 1.4003860490309283
Energy: 1.6169736124735403
Energy: 1.4059694243505292
Energy: 1.5482955174437596
Energy: 1.3298377276362747
Energy: 1.54829551744685
Energy: 1.4059694243497565
Energy: 1.5482955174437596
Energy: 1.3301924485417984
Energy: 1.4958572758246433
Energy: 1.3961528369249299
Energy: 1.495857287425916
Energy: 1.3301924485417984
Energy: 1.4958573140433244
Energy: 1.3557159237116536
Energy: 1.4200850837097654
Energy: 1.3246343774147264
Energy: 1.4200850837167185
Energy: 1.3557159237108811
Energy: 1.4200850837344878
Energy: 1.3557065307663374
Energy: 1.4701436090364406
Energy: 1.423829569993296
Energy: 1.470143609031805
Energy: 1.3557065307663374
Energy: 1.4701436090325775
Energy: 1.3413150200383133
Energy: 1.5832274257861725
Energy: 1.4001861953921504
Energy: 1.5832274257861725
Energy: 1.3413150200390858
Energy: 1.583227425787718
Energy: 1.3317439506020976
Energy: 1.4292289751309382
Energy: 1.356423755660847
Energy: 1.429228975116294
Energy: 1.3317439506020976
Energy: 1.4292289751517977
Energy: 1.723317542904258
Energy: 1.484782629193757
Energy: 1.330657799053678
Energy: 1.484782629192212
Energy: 1.723317542904258
Energy: 1.484782629192212
Energy: 1.820125915565827
Energy: 1.5447723419031354
Energy: 1.3576087991028767
Energy: 1.5447723419031354
Energy: 1.820125915565827
Energy: 1.5447723419015904
Energy: 1.3421952842034504
Energy: 1.616978346253817
Energy: 1.3554645311453808
Energy: 1.616978346252272
Energy: 1.3421952842049956
Energy: 1.616978346253817
Energy: 1.3333408170143075
Energy: 1.5831347638055333
Energy: 1.4098813187297277
Energy: 1.5831347638047608
Energy: 1.3333408170150798
Energy: 1.5831347638032158
Energy: 1.362612678655218
Energy: 1.5648227734434286
Energy: 1.4062703814099478
Energy: 1.5648227734434286
Energy: 1.362612678655218
Energy: 1.5648227734449738
Energy: 1.3677164850415742
Energy: 1.5404375144997737
Energy: 1.403009413532551
Energy: 1.5404375144781415
Energy: 1.3677164850415742
Energy: 1.5404375145051818
Energy: 1.3985587982524483
Energy: 1.733846820214529
Energy: 1.3986230695731217
Energy: 1.7338468202129835
Energy: 1.3985587982524483
Energy: 1.7338468202129835
Energy: 1.3993787502491468
Energy: 1.5417801060291538
Energy: 1.3572560946910424
Energy: 1.5417801061040588
Energy: 1.399378750248374
Energy: 1.5417801060654648
Energy: 1.4054112193174975
Energy: 1.5648231568077515
Energy: 1.3600882252914488
Energy: 1.5648231568100694
Energy: 1.4054112193182697
Energy: 1.5648231568062063
Energy: 1.4110327223329973
Energy: 1.583455924525408
Energy: 1.3316604524756464
Energy: 1.5834559245284983
Energy: 1.411032722332225
Energy: 1.5834559245246351
Energy: 1.3554675393315592
Energy: 1.4266062712307201
Energy: 1.336878346075482
Energy: 1.4266062712345833
Energy: 1.3554675393315592
Energy: 1.4266062710793652
Energy: 1.3576009559676887
Energy: 1.5429765300402956
Energy: 1.6237177932173448
Energy: 1.542976530037978
Energy: 1.3576009559676887
Energy: 1.5429765300387506
Energy: 1.3305016870440305
Energy: 1.4814307772877255
Energy: 1.723254144483685
Energy: 1.4814307771850077
Energy: 1.330501687045576
Energy: 1.4814307775062598
Energy: 1.3596167321717751
Energy: 1.417836418055647
Energy: 1.3325117666496697
Energy: 1.4178364180425134
Energy: 1.3596167321725474
Energy: 1.4178364180587375
Energy: 1.4006607437348504
Energy: 1.5831778090557835
Energy: 1.3378227520536727
Energy: 1.5831778090550108
Energy: 1.4006607437348504
Energy: 1.5831778090534656

minimum gb energy = 1.3231308970452509 eV
minimum distance =  2.22947455628743 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.3695185312327518
Energy: 1.3748960016466845
Energy: 2.2092082423565746
Energy: 1.3748960016458456
Energy: 1.3695185312321712
Energy: 1.374896001646136
Energy: 1.5663730792975132
Energy: 1.3742208120555688
Energy: 1.3694448225882834
Energy: 1.374220812053859
Energy: 1.5663730792955455
Energy: 1.3742208120552786
Energy: 1.369401763690369
Energy: 1.3739246506355003
Energy: 1.5665520067805923
Energy: 1.373924650635242
Energy: 1.369401763690369
Energy: 1.3739246506349518
Energy: 2.209208242355445
Energy: 1.374896001646136
Energy: 1.3695185312321712
Energy: 1.3748960016472649
Energy: 2.209208242355445
Energy: 1.3748960016466845
Energy: 1.3694448225888638
Energy: 1.3742208120541495
Energy: 1.5663730792949648
Energy: 1.3742208120547303
Energy: 1.3694448225879932
Energy: 1.3742208120547303
Energy: 1.5665520067800116
Energy: 1.3739246506349518
Energy: 1.369401763691498
Energy: 1.3739246506340808
Energy: 1.5665520067823018
Energy: 1.3739246506346614
Energy: 1.3695185312324614
Energy: 1.3748960016464264
Energy: 2.2092082423565746
Energy: 1.374896001646136
Energy: 1.3695185312327518
Energy: 1.3748960016466845
Energy: 1.5663730792949648
Energy: 1.3742208120552786
Energy: 1.3694448225888638
Energy: 1.3742208120550203
Energy: 1.566373079295255
Energy: 1.3742208120550203
Energy: 1.3694017636909497
Energy: 1.3739246506343712
Energy: 1.5665520067820113
Energy: 1.3739246506357905
Energy: 1.3694017636906595
Energy: 1.373924650635242
Energy: 2.2092082423548645
Energy: 1.3748960016472649
Energy: 1.3695185312324614
Energy: 1.3748960016472649
Energy: 2.209208242355445
Energy: 1.3748960016466845

minimum gb energy = 1.369401763690369 eV
minimum distance =  2.23285507290899 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.6750142014798097
Energy: 1.694537591791247
Energy: 1.9510307505375244
Energy: 1.6945375917844705
Energy: 1.6750142014789604
Energy: 1.6945375917836212
Energy: 1.5694726719667997
Energy: 1.3672909770671302
Energy: 1.2999356060865555
Energy: 1.3672909770620336
Energy: 1.5694726719820904
Energy: 1.3672909770620336
Energy: 1.3381456740757405
Energy: 1.3558907647620193
Energy: 1.477864440976547
Energy: 1.355890764764568
Energy: 1.3381456740757405
Energy: 1.3558907647637184
Energy: 1.7268884990306044
Energy: 1.6777988264384083
Energy: 1.3553847688966716
Energy: 1.6777988264290835
Energy: 1.726888498992417
Energy: 1.6777988264358596
Energy: 1.343619767229808
Energy: 1.3416513345964096
Energy: 1.6682033349431222
Energy: 1.3416513345921623
Energy: 1.3436197672289583
Energy: 1.3416513345921623
Energy: 1.4883189407880109
Energy: 1.404589805990623
Energy: 1.2992438914830382
Energy: 1.404589805993171
Energy: 1.4883189366393612
Energy: 1.404589805985526
Energy: 1.3436170566534422
Energy: 1.3474288219387582
Energy: 1.487101752088977
Energy: 1.3474288219370594
Energy: 1.3436170566551415
Energy: 1.3474288219336614
Energy: 1.3422220129169846
Energy: 1.7346145167967124
Energy: 1.3528068442554642
Energy: 1.7346145167984113
Energy: 1.3422220129195137
Energy: 1.7346145167984113
Energy: 1.341149368294192
Energy: 1.525975167757302
Energy: 1.643348543456368
Energy: 1.52597516775985
Energy: 1.3411493682933426
Energy: 1.5259751677623987
Energy: 1.3381848622733967
Energy: 1.372611808378943
Energy: 1.2986060686909282
Energy: 1.3726118083263144
Energy: 1.338184862274246
Energy: 1.372611808413771
Energy: 1.6580113778358059
Energy: 1.5656840138354622
Energy: 1.3709972955028722
Energy: 1.565684013831215
Energy: 1.658011377834107
Energy: 1.5656840138320645
Energy: 1.660988267846181
Energy: 1.324793265349495
Energy: 1.3013235879337177
Energy: 1.324793265410637
Energy: 1.6609882678444818
Energy: 1.3247932654191317
Energy: 1.3409955376097868
Energy: 1.4261156291680357
Energy: 1.3011579605227037
Energy: 1.426115629168885
Energy: 1.3409955376089373
Energy: 1.4261156291680357
Energy: 1.3387616840720935
Energy: 1.413681622239035
Energy: 1.3542936313002738
Energy: 1.4136816222347877
Energy: 1.3387616840712437
Energy: 1.4136816222347877
Energy: 1.3453943546980909
Energy: 1.3546504957116687
Energy: 1.3515084535205781
Energy: 1.354650495780437
Energy: 1.3453943546980909
Energy: 1.354650495728658
Energy: 1.345075163735316
Energy: 1.3643116405121265
Energy: 1.3031550498072288
Energy: 1.3643116405155242
Energy: 1.3450751637344667
Energy: 1.364311640514675
Energy: 1.3451769406652097
Energy: 1.498315193582944
Energy: 1.3034027910793016
Energy: 1.4983151935871912
Energy: 1.3451769406652097
Energy: 1.4983151935854921
Energy: 1.3414591966941762
Energy: 1.441008881092089
Energy: 1.3512211093079196
Energy: 1.4410088810929385
Energy: 1.3414591966933267
Energy: 1.4410088810912396
Energy: 1.3389740604036116
Energy: 1.4148861637432848
Energy: 1.351037126968783
Energy: 1.4148861637500805
Energy: 1.3389740604036116
Energy: 1.4148861637466825
Energy: 1.3390814474616788
Energy: 1.3534202529360764
Energy: 1.301346156233946
Energy: 1.3534202516913352
Energy: 1.3390814474616788
Energy: 1.353420252809583
Energy: 1.6575893954878518
Energy: 1.3223650462785475
Energy: 1.3013815968871438
Energy: 1.3223650462861924
Energy: 1.6575893954878518
Energy: 1.3223650462844938
Energy: 1.6564738693915668
Energy: 1.5699604862914514
Energy: 1.372844101037745
Energy: 1.5699604862956986
Energy: 1.6564738693915668
Energy: 1.5699604862956986
Energy: 1.3382166753655445
Energy: 1.3643934753897993
Energy: 1.3020859224916201
Energy: 1.3643934753881002
Energy: 1.3382166753655445
Energy: 1.364393475385552
Energy: 1.3388787912137334
Energy: 1.5329840972840276
Energy: 1.6265426245533001
Energy: 1.5329840972865758
Energy: 1.3388787912154325
Energy: 1.532984097284877
Energy: 1.34142419804395
Energy: 1.441626819205929
Energy: 1.352805795040082
Energy: 1.441626819209327
Energy: 1.341424198042251
Energy: 1.441626819209327
Energy: 1.3431373968466556
Energy: 1.529279258095331
Energy: 1.4358265509633414
Energy: 1.529279354650591
Energy: 1.3431373968466556
Energy: 1.5292792513926
Energy: 1.3407224352858367
Energy: 1.564442934608868
Energy: 1.3001813563506648
Energy: 1.564442934608868
Energy: 1.3407224352892348
Energy: 1.564442934608868
Energy: 1.3429899907236054
Energy: 1.4060985713653948
Energy: 1.6549805661627162
Energy: 1.4060985713636958
Energy: 1.3429899907236054
Energy: 1.4060985713653948
Energy: 1.4496455578517466
Energy: 1.739937887398567
Energy: 1.3555134901321502
Energy: 1.7399378873994162
Energy: 1.449645557852596
Energy: 1.7399378874011155
Energy: 1.3372993722236735
Energy: 1.3582194506218492
Energy: 1.4649146215501225
Energy: 1.3582194506218492
Energy: 1.337299372224523
Energy: 1.3582194506218492
Energy: 1.5682724427580408
Energy: 1.3622225137625994
Energy: 1.2990332863323106
Energy: 1.3622225137668467
Energy: 1.5682724427588906
Energy: 1.3622225137651478
Energy: 1.6623572778459923
Energy: 1.6792487752967846
Energy: 1.3720278984998682
Energy: 1.679248775297634
Energy: 1.662357277843444
Energy: 1.6792487752959353
Energy: 1.5679931250729229
Energy: 1.3653394422319565
Energy: 1.2980680796177917
Energy: 1.3653394422336556
Energy: 1.5679931250712242
Energy: 1.3653394422345049

minimum gb energy = 1.2980680796177917 eV
minimum distance =  2.18993015046804 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.3227791329355463
Energy: 1.741438721144189
Energy: 1.7742675911514934
Energy: 1.7414387211490308
Energy: 1.322779132934336
Energy: 1.7414387211453997
Energy: 1.7600132902656902
Energy: 1.296023383556242
Energy: 1.275654204578616
Energy: 1.2960233835574526
Energy: 1.7600132902644798
Energy: 1.296023383556242
Energy: 1.2977193494120753
Energy: 1.4069900795360166
Energy: 1.5010446067990824
Energy: 1.4069900795384376
Energy: 1.2977193494120753
Energy: 1.4069900795408583
Energy: 1.7004941241007203
Energy: 1.6696037680820959
Energy: 1.2800105703601803
Energy: 1.6696037680833062
Energy: 1.700494124097089
Energy: 1.6696037680820959
Energy: 1.2753846036768
Energy: 1.770868123141672
Energy: 1.6609349102022266
Energy: 1.770868123141672
Energy: 1.27538460367801
Energy: 1.770868123141672
Energy: 1.2752133395130676
Energy: 1.5611100221632335
Energy: 1.2763110544942242
Energy: 1.5611100221644438
Energy: 1.2752133395130676
Energy: 1.5611100221632335
Energy: 1.298032580525045
Energy: 1.294703226373567
Energy: 1.3028824417963487
Energy: 1.294703226374777
Energy: 1.2980325805262551
Energy: 1.294703226373567
Energy: 1.298115340572277
Energy: 1.5422743417666427
Energy: 1.6832761509803542
Energy: 1.542274341767853
Energy: 1.298115340572277
Energy: 1.5422743417654323
Energy: 1.2995301405350819
Energy: 1.3217499203336116
Energy: 1.6819426849867598
Energy: 1.3217499203324012
Energy: 1.2995301405350819
Energy: 1.3217499203287701
Energy: 1.300701149606648
Energy: 1.2933201946102657
Energy: 1.3041227857024482
Energy: 1.2933201946175281
Energy: 1.300701149606648
Energy: 1.2933201946163175
Energy: 1.2767141481318791
Energy: 1.4507121413017254
Energy: 1.3046106875689198
Energy: 1.4507121412980943
Energy: 1.2767141481318791
Energy: 1.4507121413029356
Energy: 1.2795483788263915
Energy: 1.3340561962839383
Energy: 1.2797244710156588
Energy: 1.3340561962839383
Energy: 1.2795483788251814
Energy: 1.3340561962827275
Energy: 1.30481370174072
Energy: 1.4511018494536316
Energy: 1.2790969613661527
Energy: 1.4511018494560526
Energy: 1.3048137017419303
Energy: 1.4511018494548422
Energy: 1.3044744315593502
Energy: 1.2961545767162623
Energy: 1.300364844968113
Energy: 1.2961545767295495
Energy: 1.3044744315569294
Energy: 1.2961545767234974
Energy: 1.6819663117627788
Energy: 1.321616030907913
Energy: 1.2994165743369444
Energy: 1.321616030907913
Energy: 1.6819663117615684
Energy: 1.321616030907913
Energy: 1.6842051416649455
Energy: 1.5402511026863934
Energy: 1.297581761332964
Energy: 1.5402511026888142
Energy: 1.6842051416649455
Energy: 1.540251102687604
Energy: 1.3050885270820975
Energy: 1.2922274801600404
Energy: 1.298060715022449
Energy: 1.2922274801636715
Energy: 1.305088527084518
Energy: 1.2922274801697236
Energy: 1.276114929783579
Energy: 1.5615663459535258
Energy: 1.2754789870352896
Energy: 1.5615663459547362
Energy: 1.2761149297847891
Energy: 1.5615663459535258
Energy: 1.6661726250442888
Energy: 1.76930188351211
Energy: 1.275459634412483
Energy: 1.7693018835108998
Energy: 1.6661726250394746
Energy: 1.7693018835108998
Energy: 1.2800101405564825
Energy: 1.6733628669214982
Energy: 1.6996517194592735
Energy: 1.6733628669227085
Energy: 1.280010140557693
Energy: 1.6733628669227085
Energy: 1.489512821851749
Energy: 1.4069900795372272
Energy: 1.2978393624467635
Energy: 1.4069900795384376
Energy: 1.4895128218795881
Energy: 1.406990079539648
Energy: 1.275640685526838
Energy: 1.2948006073022886
Energy: 1.6759601426034019
Energy: 1.294800607299868
Energy: 1.2756406855256275
Energy: 1.2948006073022886
Energy: 1.7742675911490724
Energy: 1.7414387211429787
Energy: 1.322779132934336
Energy: 1.741438721144189
Energy: 1.7742675911478623
Energy: 1.741438721144189

minimum gb energy = 1.2752133395130676 eV
minimum distance =  2.1967913841654 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.5397997576075149
Energy: 1.7859654166336705
Energy: 1.7590110093709768
Energy: 1.7859654166321348
Energy: 1.5397997576082827
Energy: 1.7859654166336705
Energy: 1.7065780920243836
Energy: 1.4975646898202695
Energy: 1.2350950956411275
Energy: 1.4975646898195016
Energy: 1.7065780920251514
Energy: 1.497564689818734
Energy: 1.233134226630536
Energy: 1.3232601587981383
Energy: 1.613358344093266
Energy: 1.3232601587981383
Energy: 1.233134226630536
Energy: 1.3232601587973707
Energy: 1.3065549180493097
Energy: 1.3516470307557575
Energy: 1.2413540198948974
Energy: 1.3516491535145048
Energy: 1.3065549180493097
Energy: 1.3516483765142588
Energy: 1.4698673462234024
Energy: 1.5435926769220079
Energy: 1.445287805435502
Energy: 1.54359267692124
Energy: 1.4698673462234024
Energy: 1.5435926769189365
Energy: 1.4586939796504328
Energy: 1.4510474437310126
Energy: 1.2373404877655103
Energy: 1.451047443734852
Energy: 1.4586939796504328
Energy: 1.4510474437325485
Energy: 1.228942873951999
Energy: 1.259447026533264
Energy: 1.247280109133311
Energy: 1.259447026539407
Energy: 1.228942873951999
Energy: 1.259447026534032
Energy: 1.2526374135589333
Energy: 1.228763100604287
Energy: 1.4575936357099877
Energy: 1.2287631006526267
Energy: 1.2526374135581655
Energy: 1.2287631003916966
Energy: 1.4407128960378612
Energy: 1.4277981467115775
Energy: 1.4555472972840613
Energy: 1.4277981467115775
Energy: 1.4407128960370936
Energy: 1.4277981467115775
Energy: 1.2362186707628584
Energy: 1.2481421836587159
Energy: 1.2261730388972865
Energy: 1.2481421836602518
Energy: 1.2362186707651621
Energy: 1.248142183663323
Energy: 1.2239833975567724
Energy: 1.440737645273536
Energy: 1.252851981179092
Energy: 1.440737645272768
Energy: 1.2239833975567724
Energy: 1.440737645272768
Energy: 1.2270170350332983
Energy: 1.2928179565853954
Energy: 1.7217966348773808
Energy: 1.2928179565861635
Energy: 1.2270170350325307
Energy: 1.2928179565853954
Energy: 1.4721646560660415
Energy: 1.5583072059059273
Energy: 1.5266752744617382
Energy: 1.5583072059059273
Energy: 1.4721646560660415
Energy: 1.5583072059051597
Energy: 1.2348758000404503
Energy: 1.2514114348054632
Energy: 1.2342067074815781
Energy: 1.2514114347379273
Energy: 1.234875800041218
Energy: 1.2514114347939456
Energy: 1.4438150631028999
Energy: 1.3076174434234755
Energy: 1.2264666218334312
Energy: 1.3076174434265468
Energy: 1.4438150631028999
Energy: 1.307617443425779
Energy: 1.2414747364819891
Energy: 1.4825545855682039
Energy: 1.6478879585029267
Energy: 1.482554585572811
Energy: 1.2414747364819891
Energy: 1.4825545855697395
Energy: 1.7021112314983766
Energy: 1.7883707393641814
Energy: 1.5056148477830233
Energy: 1.788370739366485
Energy: 1.7021112314968407
Energy: 1.788370739365717
Energy: 1.225555410966584
Energy: 1.2497079947866183
Energy: 1.6253225487572083
Energy: 1.2497079947896894
Energy: 1.22555541096812
Energy: 1.2497079947858505
Energy: 1.4761256372366958
Energy: 1.2544819574376056
Energy: 1.2289027299194883
Energy: 1.2544819574268555
Energy: 1.4761256372374638
Energy: 1.2544819574329986
Energy: 1.4648572268662954
Energy: 1.54510511603896
Energy: 1.2489594390825443
Energy: 1.5451051160374243
Energy: 1.4648572268601874
Energy: 1.54510511603896
Energy: 1.704727470575457
Energy: 1.4032053841343028
Energy: 1.2369070541928555
Energy: 1.4032053891331266
Energy: 1.704727470575457
Energy: 1.403205387792282
Energy: 1.2330563650823436
Energy: 1.445120081468916
Energy: 1.4458818217477345
Energy: 1.4451200814673804
Energy: 1.2330563650823436
Energy: 1.4451200814673804
Energy: 1.247814249788556
Energy: 1.4431652338016796
Energy: 1.2283023657284546
Energy: 1.4431652338016796
Energy: 1.2478142497923952
Energy: 1.4431652338009118
Energy: 1.5096566475694921
Energy: 1.5769804222761736
Energy: 1.225588270301867
Energy: 1.5769804222777095
Energy: 1.5096566475694921
Energy: 1.5769804222769415
Energy: 1.7213142360425095
Energy: 1.2962392122545605
Energy: 1.2239160274662564
Energy: 1.2962392122537927
Energy: 1.7213142360432774
Energy: 1.2962392122545605
Energy: 1.2600587004866413
Energy: 1.4501436476757283
Energy: 1.2330273286389075
Energy: 1.4501436476757283
Energy: 1.2600587004866413
Energy: 1.4501436476757283
Energy: 1.2263539377268895
Energy: 1.4519862469389113
Energy: 1.4408375169628345
Energy: 1.4519862469381433
Energy: 1.2263539377276573
Energy: 1.4519862469381433
Energy: 1.4579349363999128
Energy: 1.423253097322666
Energy: 1.2363381947445313
Energy: 1.4232530973195945
Energy: 1.4579349364006804
Energy: 1.4232530973211304
Energy: 1.4582416257805983
Energy: 1.2294843337457586
Energy: 1.251121845803429
Energy: 1.2294843337449908
Energy: 1.4582416257813664
Energy: 1.22948433379717
Energy: 1.2509722606714027
Energy: 1.2558438699138872
Energy: 1.2306347879014776
Energy: 1.255843869914655
Energy: 1.2509722606706346
Energy: 1.255843869914655
Energy: 1.2289713762304308
Energy: 1.4242962334999731
Energy: 1.7048106873929154
Energy: 1.4242962334992053
Energy: 1.2289713762296632
Energy: 1.4242962334984373
Energy: 1.4480893728338695
Energy: 1.7871186078476484
Energy: 1.473018846412164
Energy: 1.7871186078476484
Energy: 1.4480893728323339
Energy: 1.7871186078484165
Energy: 1.2397651962411391
Energy: 1.4763725790973345
Energy: 1.5445541301275838
Energy: 1.4763725790927271
Energy: 1.2397651962426746
Energy: 1.4763725790934952
Energy: 1.6552098872475858
Energy: 1.3109003897037803
Energy: 1.2330591994447437
Energy: 1.3109003897068516
Energy: 1.6552098872491214
Energy: 1.3109003897068516
Energy: 1.231297067947813
Energy: 1.5250685263258752
Energy: 1.5845803908079859
Energy: 1.5250685263258752
Energy: 1.2312970679462774
Energy: 1.5250685263274106
Energy: 1.4668385658010101
Energy: 1.5586843723511792
Energy: 1.5413763649696273
Energy: 1.5586843723488757
Energy: 1.4668385658010101
Energy: 1.5586843723511792
Energy: 1.2285480164957492
Energy: 1.6565011140361772
Energy: 1.7220336433877175
Energy: 1.6565011140361772
Energy: 1.2285480164965172
Energy: 1.6565011140354091

minimum gb energy = 1.2239160274662564 eV
minimum distance =  2.19078009543101 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.0827698366524978
Energy: 1.058058758193879
Energy: 1.8353601295885114
Energy: 1.058058758193879
Energy: 1.0827698366524978
Energy: 1.058058758193879
Energy: 1.6321823310292478
Energy: 1.0547455137151498
Energy: 1.0532668759225465
Energy: 1.0547455137172463
Energy: 1.6321823310292478
Energy: 1.0547455137193427
Energy: 1.083367527481945
Energy: 1.243923815450353
Energy: 1.055243703265299
Energy: 1.2439238154545458
Energy: 1.0833675274798487
Energy: 1.2439238154545458
Energy: 1.6561836679191184
Energy: 1.055232238953826
Energy: 1.0532264095269221
Energy: 1.055232238949633
Energy: 1.6561836679191184
Energy: 1.0552322389517295
Energy: 1.0804439750679762
Energy: 1.457352691048524
Energy: 1.055468200237838
Energy: 1.4573526910506205
Energy: 1.0804439750679762
Energy: 1.4573526910506205
Energy: 1.0785042419669801
Energy: 1.0973674300337575
Energy: 1.0529537713232813
Energy: 1.0973674300295644
Energy: 1.0785042420675865
Energy: 1.0973674300295644
Energy: 1.6583590222402687
Energy: 1.055284189805341
Energy: 1.0535983227127208
Energy: 1.0552841898074377
Energy: 1.6583590222423652
Energy: 1.0552841898074377
Energy: 1.0834719585156944
Energy: 1.0600075838411962
Energy: 1.05411795980171
Energy: 1.0600075838390997
Energy: 1.0834719585073087
Energy: 1.060007583837003
Energy: 1.603104890816747
Energy: 1.1011094435517732
Energy: 1.0529500852725298
Energy: 1.1011094435496767
Energy: 1.603104890816747
Energy: 1.1011094435496767
Energy: 1.085148600527619
Energy: 1.4570381092733267
Energy: 1.0573176536700297
Energy: 1.4570381092775193
Energy: 1.085148600527619
Energy: 1.4570381092754232
Energy: 1.6230588230476228
Energy: 1.059564030789946
Energy: 1.060982648760561
Energy: 1.0595640307920426
Energy: 1.6230588230476228
Energy: 1.0595640307920426
Energy: 1.0954029315121174
Energy: 1.243497141204816
Energy: 1.671607307663928
Energy: 1.2434971412090088
Energy: 1.0954029315100209
Energy: 1.2434971412090088
Energy: 1.6244613924163644
Energy: 1.0597134343482784
Energy: 1.0632727243642706
Energy: 1.0597134343524712
Energy: 1.6244613924163644
Energy: 1.0597134343524712
Energy: 1.0851181295888952
Energy: 1.4538876500248081
Energy: 1.0573195336502117
Energy: 1.4538876500290012
Energy: 1.0851181295888952
Energy: 1.4538876500248081

minimum gb energy = 1.0529500852725298 eV
minimum distance =  2.20218732282425 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.605746118931168
Energy: 1.2839997863924124
Energy: 1.7292574778388923
Energy: 1.2839997863914914
Energy: 1.605746118932089
Energy: 1.2839997863988593
Energy: 1.5762619017093995
Energy: 1.5870611711846794
Energy: 1.2586299034707438
Energy: 1.5870611711837586
Energy: 1.5762619017112414
Energy: 1.5870611711856004
Energy: 1.2597915855072839
Energy: 1.3901840803650465
Energy: 1.2612283042943027
Energy: 1.3901840803650465
Energy: 1.259791585508205
Energy: 1.3901840803659675
Energy: 1.2887386418075646
Energy: 1.2925802153729749
Energy: 1.2622525466068333
Energy: 1.2925802153729749
Energy: 1.2887386418075646
Energy: 1.2925802153729749
Energy: 1.4972635051710248
Energy: 1.4672384763430972
Energy: 1.2837197477944973
Energy: 1.4672384763412762
Energy: 1.4972635051701035
Energy: 1.4672384763421973
Energy: 1.2941494100607458
Energy: 1.4807381286251553
Energy: 1.480280097586957
Energy: 1.4807381286233132
Energy: 1.2941494100598248
Energy: 1.4807381286233132
Energy: 1.2769351080077693
Energy: 1.5442417670792303
Energy: 1.316792705601954
Energy: 1.5442417670801512
Energy: 1.276935108015137
Energy: 1.5442417670819932
Energy: 1.2601087119416203
Energy: 1.2926034315185218
Energy: 1.3702282271935746
Energy: 1.292603431517601
Energy: 1.2601087119416203
Energy: 1.292603431513017
Energy: 1.554341058412801
Energy: 1.3575334790345683
Energy: 1.2594405892865848
Energy: 1.3575334790336475
Energy: 1.5543410584137223
Energy: 1.3575334790345683
Energy: 1.257832497176557
Energy: 1.4790082625589442
Energy: 1.3610727593492449
Energy: 1.4790082625598655
Energy: 1.2578324971802408
Energy: 1.4790082625580234
Energy: 1.4924264335283248
Energy: 1.6105432913026716
Energy: 1.5450600359244295
Energy: 1.6105432913035926
Energy: 1.4924264335283248
Energy: 1.6105432913045135
Energy: 1.2608221267222024
Energy: 1.4971113373750242
Energy: 1.4804606818800032
Energy: 1.4971113373759453
Energy: 1.2608221267222024
Energy: 1.4971113373759453
Energy: 1.2585496007737023
Energy: 1.3896382180708744
Energy: 1.3788842307828295
Energy: 1.3896382180717952
Energy: 1.2585496007737023
Energy: 1.3896382180717952
Energy: 1.2772774743206035
Energy: 1.361446926140415
Energy: 1.2767330443479978
Energy: 1.3614469261413358
Energy: 1.2772774743196829
Energy: 1.3614469261413358
Energy: 1.258609454283513
Energy: 1.5370624224569018
Energy: 1.480735300227509
Energy: 1.5370624224569018
Energy: 1.258609454284434
Energy: 1.5370624224569018
Energy: 1.627044687442777
Energy: 1.5618153193531585
Energy: 1.294853037633367
Energy: 1.5618153193513165
Energy: 1.627044687442777
Energy: 1.5618153193531585
Energy: 1.3165433867093554
Energy: 1.5440016986113723
Energy: 1.4485342177711773
Energy: 1.5440016986021627
Energy: 1.3165433867102763
Energy: 1.5440016986104514
Energy: 1.48055716378798
Energy: 1.536991753889846
Energy: 1.2589699795305402
Energy: 1.536991753889846
Energy: 1.48055716378798
Energy: 1.536991753889846
Energy: 1.2796775538087952
Energy: 1.3902969597936234
Energy: 1.2746397137353402
Energy: 1.3902969597973072
Energy: 1.2796775538087952
Energy: 1.3902969597963863
Energy: 1.2571996064115452
Energy: 1.3913474154083443
Energy: 1.2570371969193321
Energy: 1.3913474154074232
Energy: 1.2571996064115452
Energy: 1.3913474154083443
Energy: 1.4786164408831348
Energy: 1.4122266394924543
Energy: 1.2584566646782804
Energy: 1.4122266394915335
Energy: 1.4786164408831348
Energy: 1.4122266394906122
Energy: 1.5418887209546364
Energy: 1.6218627394783804
Energy: 1.490123418725261
Energy: 1.6218627394783804
Energy: 1.5418887209564784
Energy: 1.6218627394783804
Energy: 1.2744378559718688
Energy: 1.478884351107032
Energy: 1.2825716030532104
Energy: 1.4788843511079532
Energy: 1.2744378559718688
Energy: 1.4788843511079532
Energy: 1.2575104018194694
Energy: 1.3591529798474242
Energy: 1.55602809501848
Energy: 1.3591529798465032
Energy: 1.2575104018203904
Energy: 1.3591529798446613
Energy: 1.3378120596702403
Energy: 1.295533659780927
Energy: 1.2589546373470875
Energy: 1.295533659780927
Energy: 1.3378120596739242
Energy: 1.295533659780927
Energy: 1.2941246585115123
Energy: 1.454105694687834
Energy: 1.2756073387487998
Energy: 1.4541056946896758
Energy: 1.2941246585096702
Energy: 1.4541056946896758
Energy: 1.4809430983462364
Energy: 1.4958413797596535
Energy: 1.4966987040861293
Energy: 1.4958413797578116
Energy: 1.4809430983462364
Energy: 1.4958413797578116
Energy: 1.2756459322387768
Energy: 1.456038553602826
Energy: 1.2941887708129791
Energy: 1.456038553602826
Energy: 1.275645932239698
Energy: 1.456038553602826
Energy: 1.261896025636456
Energy: 1.2920571831762933
Energy: 1.2811614811283858
Energy: 1.2920571831781356
Energy: 1.2618960256373768
Energy: 1.2920571831781356
Energy: 1.2637614659419205
Energy: 1.3907550852027235
Energy: 1.2600542166365745
Energy: 1.3907550852018025
Energy: 1.263761465941
Energy: 1.3907550852036445
Energy: 1.2606179395181771
Energy: 1.5827585855949893
Energy: 1.5458699855463724
Energy: 1.5827585855968314
Energy: 1.2606179395181771
Energy: 1.5827585855977524

minimum gb energy = 1.2570371969193321 eV
minimum distance =  2.19092329439686 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.3687265383130693
Energy: 1.3719816394271693
Energy: 1.8212837207571666
Energy: 1.3719816394271693
Energy: 1.3687265383130693
Energy: 1.3719816394271693
Energy: 1.3263710270623035
Energy: 1.3482538403194708
Energy: 1.317172172953597
Energy: 1.3482538403211097
Energy: 1.3263710270623035
Energy: 1.3482538403194708
Energy: 1.3173233871299934
Energy: 1.3768376041286647
Energy: 1.3153401226186678
Energy: 1.3768376041270258
Energy: 1.3173233871283547
Energy: 1.3768376041270258
Energy: 1.315793403454257
Energy: 1.4658501512885005
Energy: 1.3166829244037546
Energy: 1.4658501518405438
Energy: 1.3157934034575347
Energy: 1.4658501515686007
Energy: 1.3153507438038459
Energy: 1.3771798242622446
Energy: 1.3175732755713063
Energy: 1.3771798242589668
Energy: 1.3153507438038459
Energy: 1.3771798242606057
Energy: 1.3187335740622548
Energy: 1.3477258305191404
Energy: 1.32626133608901
Energy: 1.3477258305175017
Energy: 1.3187335740622548
Energy: 1.3477258305191404
Energy: 1.8212837207555277
Energy: 1.3719816394271693
Energy: 1.3687265383114307
Energy: 1.3719816394271693
Energy: 1.8212837207571666
Energy: 1.3719816394271693
Energy: 1.317172172951958
Energy: 1.4657997684773454
Energy: 1.3263710270623035
Energy: 1.4657997684773454
Energy: 1.317172172951958
Energy: 1.4657997684773454
Energy: 1.3153401226186678
Energy: 1.3768376041286647
Energy: 1.3173233871283547
Energy: 1.3768376041303036
Energy: 1.3153401226186678
Energy: 1.3768376041286647
Energy: 1.3166829244053935
Energy: 1.401724962039278
Energy: 1.315793403455896
Energy: 1.4017249619393435
Energy: 1.3166829244053935
Energy: 1.4017249620130556
Energy: 1.3175732755926117
Energy: 1.3771798242589668
Energy: 1.315350743802207
Energy: 1.3771798242589668
Energy: 1.3175732755680285
Energy: 1.3771798242606057
Energy: 1.32626133608901
Energy: 1.3477258305175017
Energy: 1.3187335740638937
Energy: 1.3477258305191404
Energy: 1.32626133608901
Energy: 1.3477258305191404
Energy: 1.3687265383130693
Energy: 1.3719816394271693
Energy: 1.627057439749952
Energy: 1.3719816394255302
Energy: 1.3687265383130693
Energy: 1.3719816394271693
Energy: 1.3263710270639422
Energy: 1.3715562380442272
Energy: 1.317172172951958
Energy: 1.3715562380425883
Energy: 1.3263710270623035
Energy: 1.3715562380442272
Energy: 1.3173233871299934
Energy: 1.3768376041270258
Energy: 1.3153401226186678
Energy: 1.3768376041286647
Energy: 1.3173233871283547
Energy: 1.3768376041270258
Energy: 1.315793403455896
Energy: 1.4017249696256011
Energy: 1.3166829244053935
Energy: 1.4017249694453982
Energy: 1.315793403455896
Energy: 1.4017249688720494
Energy: 1.3153507438038459
Energy: 1.3771798242606057
Energy: 1.3175732755713063
Energy: 1.3771798242622446
Energy: 1.315350743802207
Energy: 1.3771798242606057

minimum gb energy = 1.3153401226186678 eV
minimum distance =  2.22013219105494 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.4777582003729834
Energy: 1.4479341187257764
Energy: 1.701536680660185
Energy: 1.4479341187190857
Energy: 1.4777582003716456
Energy: 1.4479341187204238
Energy: 1.3784304594380425
Energy: 1.4554717928931324
Energy: 1.3499698359774936
Energy: 1.455471792889118
Energy: 1.3784304594380425
Energy: 1.4554717928931324
Energy: 1.3551178576445706
Energy: 1.4250541921384616
Energy: 1.351430056744981
Energy: 1.4250541921438142
Energy: 1.3551178576418943
Energy: 1.4250541921464905
Energy: 1.3532941452487026
Energy: 1.350624810195252
Energy: 1.3884525979080047
Energy: 1.350624810195252
Energy: 1.3532941452460265
Energy: 1.3506248101979283
Energy: 1.3803782125935438
Energy: 1.4491500739076202
Energy: 1.3526923161771889
Energy: 1.4491500739076202
Energy: 1.3803782125935438
Energy: 1.4491500739076202
Energy: 1.3578402069489846
Energy: 1.3511954517602949
Energy: 1.570828515280308
Energy: 1.3511954517549423
Energy: 1.357840206947646
Energy: 1.3511954517549423
Energy: 1.3569305552837718
Energy: 1.4226177007283825
Energy: 1.3534157579179493
Energy: 1.4226177007243679
Energy: 1.3569305552837718
Energy: 1.4226177007230296
Energy: 1.4040875464306075
Energy: 1.4937053645877827
Energy: 1.357714748877269
Energy: 1.4937053645877827
Energy: 1.4040875464306075
Energy: 1.493705364589121
Energy: 1.4000045014331257
Energy: 1.4209086386930208
Energy: 1.3669153683881168
Energy: 1.4209086386970353
Energy: 1.4000045014264348
Energy: 1.4209086386970353
Energy: 1.3560509414285418
Energy: 1.463715828037281
Energy: 1.3514240818154584
Energy: 1.4637158280319287
Energy: 1.3560509414285418
Energy: 1.4637158280305904
Energy: 1.3566928405438852
Energy: 1.3658828868816935
Energy: 1.3877051993718754
Energy: 1.3658828868790172
Energy: 1.3566928405425471
Energy: 1.3658828868776791
Energy: 1.353282395845547
Energy: 1.4256081895345032
Energy: 1.4192400501889215
Energy: 1.425608189538487
Energy: 1.353282395845547
Energy: 1.425608189538487
Energy: 1.3556920122170375
Energy: 1.427496540547693
Energy: 1.4085668316787385
Energy: 1.427496540547693
Energy: 1.3556920122170375
Energy: 1.427496540547693
Energy: 1.3534491432914517
Energy: 1.3514106150468947
Energy: 1.3643268698997217
Energy: 1.3514106150442184
Energy: 1.35344914329279
Energy: 1.3514106150442184
Energy: 1.5481389176513167
Energy: 1.4641709613625324
Energy: 1.3656838402423488
Energy: 1.4641709613625324
Energy: 1.5481389176513167
Energy: 1.4641709613625324
Energy: 1.404419178884793
Energy: 1.421154868561958
Energy: 1.396253203496738
Energy: 1.4211548685632964
Energy: 1.404419178884793
Energy: 1.4211548685632964
Energy: 1.4026075067877586
Energy: 1.4207895592851179
Energy: 1.3881314859885387
Energy: 1.420789559282472
Energy: 1.4026075067890966
Energy: 1.42078955928381
Energy: 1.4604125695199324
Energy: 1.462275998949445
Energy: 1.353767457928751
Energy: 1.4622759989521212
Energy: 1.460412569517256
Energy: 1.462275998949445
Energy: 1.3561049135296597
Energy: 1.3525244886280674
Energy: 1.3668253895771696
Energy: 1.3525244886294057
Energy: 1.356104913530998
Energy: 1.3525244886294057
Energy: 1.3537141287118226
Energy: 1.449207411438971
Energy: 1.3526525505660953
Energy: 1.449207411438971
Energy: 1.353714128714499
Energy: 1.449207411438971
Energy: 1.3560933202814092
Energy: 1.351910849152044
Energy: 1.390527875812458
Energy: 1.3519108491560585
Energy: 1.3560933202814092
Energy: 1.351910849153382

minimum gb energy = 1.3499698359774936 eV
minimum distance =  2.22309955474503 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.5155389668880568
Energy: 1.592044043307328
Energy: 1.6147628459329666
Energy: 1.5920440433129677
Energy: 1.5155389668869288
Energy: 1.5920440433129677
Energy: 1.434689932880329
Energy: 1.4484337812780284
Energy: 1.3872249696542203
Energy: 1.448433781177691
Energy: 1.4346899328814569
Energy: 1.4484337812227839
Energy: 1.3560398425765159
Energy: 1.4684570841046722
Energy: 1.3876630364237108
Energy: 1.4684570841001605
Energy: 1.3560398425765159
Energy: 1.4684570840990325
Energy: 1.3841299089720058
Energy: 1.4078999667971586
Energy: 1.5041606716048959
Energy: 1.407899966800517
Energy: 1.3841299089720058
Energy: 1.407899966800517
Energy: 1.3321251789634017
Energy: 1.4730158163547207
Energy: 1.3524366876049625
Energy: 1.4730158163547207
Energy: 1.3321251789634017
Energy: 1.4730158163547207
Energy: 1.3786338584877482
Energy: 1.3740807397164307
Energy: 1.3644343977711693
Energy: 1.3740807397153032
Energy: 1.3786338584888762
Energy: 1.3740807397130472
Energy: 1.3601924822353417
Energy: 1.39158913019977
Energy: 1.3720889593552883
Energy: 1.3915891302031542
Energy: 1.3601924822364697
Energy: 1.391589130202026
Energy: 1.359744818340869
Energy: 1.427553959156834
Energy: 1.3717048112213905
Energy: 1.42755395915909
Energy: 1.359744818340869
Energy: 1.42755395915909
Energy: 1.447614482074824
Energy: 1.41528431469821
Energy: 1.4316829411903287
Energy: 1.415284314695954
Energy: 1.447614482075952
Energy: 1.415284314695954
Energy: 1.3758946370411544
Energy: 1.4964514154005242
Energy: 1.4048266280142117
Energy: 1.4964514153937567
Energy: 1.3758946370411544
Energy: 1.4964514153926285
Energy: 1.3600163941059589
Energy: 1.4593636842588324
Energy: 1.4047450489442885
Energy: 1.4593636842588324
Energy: 1.3600163941048309
Energy: 1.4593636842599607
Energy: 1.4478148126593071
Energy: 1.4152119679255535
Energy: 1.3630828193546831
Energy: 1.4152119679266812
Energy: 1.4478148126593071
Energy: 1.4152119679255535
Energy: 1.3761998316245676
Energy: 1.5018747194442528
Energy: 1.3716669345546704
Energy: 1.501874719441997
Energy: 1.3761998316223116
Energy: 1.501874719441997
Energy: 1.356620013092384
Energy: 1.4485283032660383
Energy: 1.3719872687500514
Energy: 1.4485283032694223
Energy: 1.3566200130912558
Energy: 1.4485283032682943
Energy: 1.3863081031343154
Energy: 1.3752955753963598
Energy: 1.3645146495309604
Energy: 1.3752955753986158
Energy: 1.3863081031331874
Energy: 1.3752955753974878
Energy: 1.3319921359923788
Energy: 1.4730158163502087
Energy: 1.349859185019474
Energy: 1.4730158163513367
Energy: 1.3319921359923788
Energy: 1.4730158163502087
Energy: 1.3842307529404052
Energy: 1.4067328717604843
Energy: 1.3723672658702601
Energy: 1.4067328717582284
Energy: 1.3842307529404052
Energy: 1.4067328717582284
Energy: 1.3721113432231324
Energy: 1.479240071144225
Energy: 1.3874206541109881
Energy: 1.4792400711464813
Energy: 1.372111343224235
Energy: 1.479240071145353
Energy: 1.3983147425385323
Energy: 1.5743496184393135
Energy: 1.3872551250134888
Energy: 1.5743496184314179
Energy: 1.3983147425385323
Energy: 1.5743496184359296
Energy: 1.5155389668880568
Energy: 1.5920440433061998
Energy: 1.6147628459340944
Energy: 1.5920440433107117
Energy: 1.5155389668880568
Energy: 1.5920440433107117
Energy: 1.434689932880329
Energy: 1.4484337811359822
Energy: 1.387224969653092
Energy: 1.4484337810525392
Energy: 1.434689932880329
Energy: 1.4484337810728423
Energy: 1.3560398425787716
Energy: 1.4684570840990325
Energy: 1.3876630364225833
Energy: 1.4684570840933926
Energy: 1.3560398425776434
Energy: 1.4684570841012885
Energy: 1.3841299089731338
Energy: 1.4078999667971586
Energy: 1.5041606716026399
Energy: 1.407899966800517
Energy: 1.3841299089731338
Energy: 1.407899966800517
Energy: 1.332125178962274
Energy: 1.4730158163535927
Energy: 1.3524366876083465
Energy: 1.4730158163547207
Energy: 1.3321251789634017
Energy: 1.4730158163547207
Energy: 1.3786338584888762
Energy: 1.374080739714175
Energy: 1.3644343977711693
Energy: 1.3740807397096633
Energy: 1.378633858490004
Energy: 1.3740807397119192

minimum gb energy = 1.3319921359923788 eV
minimum distance =  2.22446219847426 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.5380559107813383
Energy: 1.3228071165560127
Energy: 1.4897855751265745
Energy: 1.322807116555039
Energy: 1.5380559107803646
Energy: 1.3228071165482456
Energy: 1.3864744295828995
Energy: 1.4157058644242355
Energy: 1.28706324264871
Energy: 1.4157058644242355
Energy: 1.3864744295838731
Energy: 1.4157058644242355
Energy: 1.288778218515749
Energy: 1.413248789531585
Energy: 1.2867128738894036
Energy: 1.4132487895335324
Energy: 1.288778218515749
Energy: 1.4132487895335324
Energy: 1.3215219635408717
Energy: 1.4313895440734021
Energy: 1.345322701182377
Energy: 1.4313895440753492
Energy: 1.3215219635408717
Energy: 1.4313895440743756
Energy: 1.3141426971189858
Energy: 1.3341137132529417
Energy: 1.314852637579786
Energy: 1.334113713254889
Energy: 1.3141426971189858
Energy: 1.3341137132539154
Energy: 1.3024856377474383
Energy: 1.3862944983173633
Energy: 1.3156766133392808
Energy: 1.3862944983193106
Energy: 1.302485637748412
Energy: 1.3862944983193106
Energy: 1.300715067525849
Energy: 1.3787523860799504
Energy: 1.3024970848803663
Energy: 1.3787523860770294
Energy: 1.3007150675268226
Energy: 1.378752386078003
Energy: 1.2964535437365547
Energy: 1.3380545569001845
Energy: 1.3158891968707296
Energy: 1.3380545568953162
Energy: 1.2964535437365547
Energy: 1.3380545568953162
Energy: 1.3213129888700572
Energy: 1.389763741167512
Energy: 1.3441505215755536
Energy: 1.389763741167512
Energy: 1.3213129888710309
Energy: 1.389763741167512
Energy: 1.3132417180356877
Energy: 1.4974181064053818
Energy: 1.2867270254308691
Energy: 1.4974181064063554
Energy: 1.3132417180356877
Energy: 1.4974181064063554
Energy: 1.2874315879324723
Energy: 1.4284801784376384
Energy: 1.286646623439414
Energy: 1.428480178435691
Energy: 1.287431587930525
Energy: 1.428480178435691
Energy: 1.3129841312329509
Energy: 1.471538766853637
Energy: 1.3330499092908406
Energy: 1.471538766853637
Energy: 1.3129841312329509
Energy: 1.471538766853637
Energy: 1.3128278985612256
Energy: 1.450454507073892
Energy: 1.330600231739509
Energy: 1.4504545070339727
Energy: 1.312827898563173
Energy: 1.4504545070271793
Energy: 1.30755720537037
Energy: 1.429289882234484
Energy: 1.4255958345153348
Energy: 1.4292898822335103
Energy: 1.3075572053713438
Energy: 1.429289882234484
Energy: 1.321288268951074
Energy: 1.4567839990743559
Energy: 1.3333842511274436
Energy: 1.4567839990743559
Energy: 1.321288268951074
Energy: 1.4567839990743559
Energy: 1.3226617428818737
Energy: 1.33365131418908
Energy: 1.27242650748772
Energy: 1.3336513141900537
Energy: 1.3226617428818737
Energy: 1.3336513141900537
Energy: 1.288970002813239
Energy: 1.3376569568909493
Energy: 1.3040766149717944
Energy: 1.337656956891923
Energy: 1.288970002813239
Energy: 1.3376569568928967
Energy: 1.2989592370284655
Energy: 1.4487626673403668
Energy: 1.2704602311748365
Energy: 1.4487626673413405
Energy: 1.2989592370284655
Energy: 1.4487626673413405
Energy: 1.2891775301976394
Energy: 1.3377257742367927
Energy: 1.304089440552101
Energy: 1.3377257742338717
Energy: 1.289177530198613
Energy: 1.3377257742338717
Energy: 1.322666914877946
Energy: 1.3900830280820684
Energy: 1.3027793368090193
Energy: 1.3900830280791472
Energy: 1.322666914877946
Energy: 1.3900830280791472
Energy: 1.3213383935232745
Energy: 1.4310165342279417
Energy: 1.2870030362584686
Energy: 1.431016534225021
Energy: 1.3213383935223009
Energy: 1.4310165342259946
Energy: 1.3102646624194696
Energy: 1.3951650345479722
Energy: 1.4266981490410644
Energy: 1.3951650345479722
Energy: 1.3102646624194696
Energy: 1.3951650345479722
Energy: 1.384229059750701
Energy: 1.4754479725602465
Energy: 1.287394862231986
Energy: 1.475447972576776
Energy: 1.3842290597497273
Energy: 1.4754479724979552
Energy: 1.3422608866630579
Energy: 1.461351254503039
Energy: 1.2871466798857443
Energy: 1.461351254504986
Energy: 1.3422608866630579
Energy: 1.4613512545088807
Energy: 1.392608305990582
Energy: 1.429055452635353
Energy: 1.2865649681544638
Energy: 1.429055452635353
Energy: 1.3926083059896086
Energy: 1.4290554526343793
Energy: 1.3218993289883616
Energy: 1.4989859471861187
Energy: 1.2880389201238873
Energy: 1.4989859471861187
Energy: 1.3218993289883616
Energy: 1.4989859471861187
Energy: 1.322185253783433
Energy: 1.4032775089236555
Energy: 1.3333283039115016
Energy: 1.4032775089236555
Energy: 1.322185253783433
Energy: 1.4032775089246292
Energy: 1.2953501323861942
Energy: 1.3380548049705208
Energy: 1.3156200263193492
Energy: 1.3380548049705208
Energy: 1.2953501323861942
Energy: 1.3380548049705208
Energy: 1.303124536323524
Energy: 1.3712183600920522
Energy: 1.3103580432523858
Energy: 1.3712183600920522
Energy: 1.3031245363215767
Energy: 1.371218360093026

minimum gb energy = 1.2704602311748365 eV
minimum distance =  2.21306318165881 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.4624309386921293
Energy: 1.3422328191747526
Energy: 1.422060563162053
Energy: 1.3422328191747526
Energy: 1.4624309386929855
Energy: 1.3422328191756083
Energy: 1.2463849315392572
Energy: 1.3451373500018378
Energy: 1.2477522278879516
Energy: 1.3451373499727575
Energy: 1.2463849315392572
Energy: 1.3451373499821528
Energy: 1.2309268925891899
Energy: 1.3538404424281274
Energy: 1.2460894513019787
Energy: 1.3538404424272716
Energy: 1.2309268925891899
Energy: 1.3538404424272716
Energy: 1.264126219402609
Energy: 1.309459481459519
Energy: 1.254547917887277
Energy: 1.3094594814535279
Energy: 1.2641262194000416
Energy: 1.3094594814560956
Energy: 1.2198134957216034
Energy: 1.2924260606459927
Energy: 1.2313324565555495
Energy: 1.2924260606459927
Energy: 1.2198134957224593
Energy: 1.292426060644281
Energy: 1.2337906438633772
Energy: 1.3583447670119262
Energy: 1.2190966331434079
Energy: 1.3583447670127822
Energy: 1.2337906438633772
Energy: 1.3583447670119262
Energy: 1.231119438712573
Energy: 1.3671705807727845
Energy: 1.2198059440206892
Energy: 1.3671705807719285
Energy: 1.231119438713429
Energy: 1.3671705807727845
Energy: 1.2305174339083795
Energy: 1.3660542484134874
Energy: 1.2306341993679404
Energy: 1.366054248411776
Energy: 1.2305174339083795
Energy: 1.3660542484109395
Energy: 1.2194787776634235
Energy: 1.3327312365259985
Energy: 1.2311987837695961
Energy: 1.3327312365251425
Energy: 1.2194787776625677
Energy: 1.3327312365251425
Energy: 1.2191164641741494
Energy: 1.3206483328965177
Energy: 1.2197569728138877
Energy: 1.3206483328956617
Energy: 1.2191164641732934
Energy: 1.3206483328982295
Energy: 1.278347295910697
Energy: 1.3102968353247466
Energy: 1.2991041972075248
Energy: 1.3102968352400535
Energy: 1.2783472959132645
Energy: 1.3102968352734135
Energy: 1.247898443134888
Energy: 1.3524653981260526
Energy: 1.2189645757435956
Energy: 1.3524653981251968
Energy: 1.247898443134888
Energy: 1.3524653981243409
Energy: 1.2741595896132198
Energy: 1.3534955743155106
Energy: 1.2640068103515583
Energy: 1.3534955743146548
Energy: 1.2741595896123639
Energy: 1.3534955743146548
Energy: 1.2707632814962175
Energy: 1.2489178344653666
Energy: 1.2470247587247516
Energy: 1.2489178343447458
Energy: 1.2707632814962175
Energy: 1.2489178345466556
Energy: 1.2267504529930258
Energy: 1.53572967971838
Energy: 1.2465708178021817
Energy: 1.5357296797175242
Energy: 1.2267504529938817
Energy: 1.5357296797175242
Energy: 1.2910906562218754
Energy: 1.3529441275527951
Energy: 1.2300216469106864
Energy: 1.3529441275519392
Energy: 1.2910906562210194
Energy: 1.3529441275519392
Energy: 1.220123460944804
Energy: 1.3617237933139472
Energy: 1.2641019649175864
Energy: 1.3617237933139472
Energy: 1.220123460944804
Energy: 1.3617237933139472
Energy: 1.2307014011358466
Energy: 1.2934520626326809
Energy: 1.2195258582861142
Energy: 1.2934520626352486
Energy: 1.2307014011358466
Energy: 1.2934520626343928
Energy: 1.2290942399364855
Energy: 1.320916434119285
Energy: 1.231431126343208
Energy: 1.3209164341209967
Energy: 1.2290942399356297
Energy: 1.320916434120141
Energy: 1.2197352286797132
Energy: 1.4389495356101711
Energy: 1.2195473599340392
Energy: 1.438949535611027
Energy: 1.2197352286805692
Energy: 1.4389495356101711
Energy: 1.2415952382654822
Energy: 1.292298214664018
Energy: 1.2314213656668647
Energy: 1.2922982146623063
Energy: 1.2415952382654822
Energy: 1.2922982146631623
Energy: 1.2191054683111302
Energy: 1.318803244880472
Energy: 1.2189957322091856
Energy: 1.3188032448830396
Energy: 1.2191054683111302
Energy: 1.3188032448770484
Energy: 1.231223114832973
Energy: 1.319904557937824
Energy: 1.2194774682510319
Energy: 1.31990455793868
Energy: 1.231223114832973
Energy: 1.319904557937824
Energy: 1.2638748528706776
Energy: 1.3650226578082751
Energy: 1.2792976090782808
Energy: 1.3650226578074194
Energy: 1.2638748528698218
Energy: 1.3650226578082751
Energy: 1.2197289710606551
Energy: 1.4649956913235551
Energy: 1.229750256019329
Energy: 1.4649956913226991
Energy: 1.2197289710589434
Energy: 1.4649956913235551
Energy: 1.2451129487445636
Energy: 1.3543856457029027
Energy: 1.2904418250495082
Energy: 1.3543856457037584
Energy: 1.2451129487445636
Energy: 1.3543856457037584
Energy: 1.2461042997837266
Energy: 1.4138476039729202
Energy: 1.2192482736125136
Energy: 1.4138476039352808
Energy: 1.2461042997828706
Energy: 1.4138476038625507
Energy: 1.2470672306885833
Energy: 1.546344724658893
Energy: 1.2196290020564464
Energy: 1.5463447246597488
Energy: 1.2470672306885833
Energy: 1.546344724658893
Energy: 1.3338427556080183
Energy: 1.423824952577428
Energy: 1.3531372601252905
Energy: 1.423824952577428
Energy: 1.3338427556080183
Energy: 1.423824952577428
Energy: 1.2189420789382477
Energy: 1.3922880821012684
Energy: 1.2196039778783596
Energy: 1.392288082104692
Energy: 1.2189420789391034
Energy: 1.3922880821055477
Energy: 1.2636223122544086
Energy: 1.3629048649075788
Energy: 1.230215212879517
Energy: 1.3629048649084348
Energy: 1.2636223122535526
Energy: 1.3629048649084348
Energy: 1.2450509592529913
Energy: 1.3194966750232597
Energy: 1.2189298035924818
Energy: 1.319496675021548
Energy: 1.245050959252135
Energy: 1.319496675021548
Energy: 1.2196421250372607
Energy: 1.4186266361012687
Energy: 1.2309983074440154
Energy: 1.4186266361012687
Energy: 1.2196421250381164
Energy: 1.4186266361004127

minimum gb energy = 1.2189298035924818 eV
minimum distance =  2.23117372569819 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01359340938478045
Energy: 0.01486941935289321
Energy: 1.37841227596305
Energy: 0.01486941935289321
Energy: 0.01359340938478045
Energy: 0.01486941935358458
Energy: 0.01369549423932245
Energy: 0.6653015508097817
Energy: 0.01369549423932245
Energy: 0.6653015508090904
Energy: 0.01369549423932245
Energy: 0.6653015508090904
Energy: 1.3784122759637214
Energy: 0.01486941935289321
Energy: 0.01359340938478045
Energy: 0.01486941935289321
Energy: 1.37841227596305
Energy: 0.01486941935289321
Energy: 0.01369549423932245
Energy: 0.6653015508090904
Energy: 0.01369549423932245
Energy: 0.6653015508090904
Energy: 0.01369549423932245
Energy: 0.6653015508090904

minimum gb energy = 0.01359340938478045 eV
minimum distance =  2.4101059984359 Angstroms
sigma value = 1