Model name: model_name=MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917568326
cohesive_energy=4.450349978305744
mass=58.6934
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: 0.0 eV

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

Energy: 0.018141579371579564
Energy: 1.2235087246684855
Energy: 0.018141579371579564
Energy: 1.2235087246681917
Energy: 0.018141579371579564
Energy: 1.2235087246681917
Energy: 1.2235087246684855
Energy: 1.418726859416973
Energy: 1.2235087246681917
Energy: 1.4661747125845355
Energy: 1.2235087246681917
Energy: 1.4661747125842048
Energy: 0.01814157937124906
Energy: 1.2235087246681917
Energy: 0.01814157937124906
Energy: 1.223508724667861
Energy: 0.01814157937124906
Energy: 1.2235087246681917
Energy: 1.2235087246681917
Energy: 1.4661747125845355
Energy: 1.2235087246681917
Energy: 1.4661747125835807
Energy: 1.2235087246681917
Energy: 1.4661747125838742
Energy: 0.01814157937124906
Energy: 1.2235087246681917
Energy: 0.018141579371579564
Energy: 1.2235087246681917
Energy: 0.018141579371579564
Energy: 1.2235087246681917
Energy: 1.2235087246681917
Energy: 1.4661747125842048
Energy: 1.2235087246681917
Energy: 1.4661747125838742
Energy: 1.2235087246681917
Energy: 1.4661747125845355

minimum gb energy = 0.01814157937124906 eV
minimum distance =  2.28975248762197 Angstroms
sigma value = 1


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

Energy: 1.418343889822191
Energy: 1.3158788497522753
Energy: 1.418343889822191
Energy: 1.3158788497530711
Energy: 1.418343889822191
Energy: 1.3158788497522753
Energy: 1.593068728837641
Energy: 1.254172607594192
Energy: 1.5930687288384366
Energy: 1.254172607594192
Energy: 1.5930687288384366
Energy: 1.254172607594192
Energy: 1.3288190629079863
Energy: 1.3846498365265871
Energy: 1.3288190629079863
Energy: 1.3846498365257915
Energy: 1.3288190629079863
Energy: 1.3846498365265871
Energy: 1.460881554758208
Energy: 1.2894269935637717
Energy: 1.460881554759799
Energy: 1.2894269935637717
Energy: 1.4608815547590035
Energy: 1.2894269935637717
Energy: 1.3289038690543515
Energy: 1.4146621865104436
Energy: 1.3289038690543515
Energy: 1.4146621865104436
Energy: 1.3289038690551471
Energy: 1.414662186509648
Energy: 1.4120883616737463
Energy: 1.2817366308218956
Energy: 1.4120883616737463
Energy: 1.2817366308218956
Energy: 1.4120883616737463
Energy: 1.2817366308218956
Energy: 1.3000723872488078
Energy: 1.3821906281184415
Energy: 1.3000723872480122
Energy: 1.3821906281184415
Energy: 1.3000723872472169
Energy: 1.3821906281184415
Energy: 1.3076281178161997
Energy: 1.4834811592215964
Energy: 1.3076281178161997
Energy: 1.4834811592215964
Energy: 1.3076281178161997
Energy: 1.4834811592223922
Energy: 1.3645861915378754
Energy: 1.386754681075898
Energy: 1.3645861915370798
Energy: 1.3867546810766933
Energy: 1.3645861915378754
Energy: 1.3867546810766933
Energy: 1.2328662642896018
Energy: 1.4591130712747526
Energy: 1.2328662642896018
Energy: 1.459113071273957
Energy: 1.2328662642896018
Energy: 1.459113071275548
Energy: 1.3341405550639687
Energy: 1.2796272694258066
Energy: 1.3341405550647643
Energy: 1.2796272694258066
Energy: 1.3341405550647643
Energy: 1.2796272694258066
Energy: 1.2298839542429314
Energy: 1.768930830537046
Energy: 1.2298839542421358
Energy: 1.768930830537046
Energy: 1.2298839542421358
Energy: 1.768930830537046
Energy: 1.4768545065574272
Energy: 1.2192176924777185
Energy: 1.476854506558223
Energy: 1.219217692476923
Energy: 1.4768545065574272
Energy: 1.2192176924777185
Energy: 1.3028352238054783
Energy: 1.2874560088335387
Energy: 1.3028352238054783
Energy: 1.2874560088335387
Energy: 1.3028352238054783
Energy: 1.2874560088335387
Energy: 1.5542947499749573
Energy: 1.251213745795288
Energy: 1.5542947499741617
Energy: 1.2512137457944925
Energy: 1.5542947499749573
Energy: 1.2512137457944925
Energy: 1.5544237575337985
Energy: 1.410475458762771
Energy: 1.5544237575337985
Energy: 1.4104754587635664
Energy: 1.5544237575330029
Energy: 1.410475458762771
Energy: 1.3620910232474523
Energy: 1.3421605136595223
Energy: 1.3620910232474523
Energy: 1.3421605136595223
Energy: 1.3620910232474523
Energy: 1.3421605136595223
Energy: 1.361865757420253
Energy: 1.3258165397785608
Energy: 1.361865757420253
Energy: 1.3258165397769694
Energy: 1.361865757420253
Energy: 1.3258165397793562
Energy: 1.3380227594845824
Energy: 1.3718735665319106
Energy: 1.338022759485378
Energy: 1.3718735665311153
Energy: 1.338022759485378
Energy: 1.3718735665311153
Energy: 1.4099827789055412
Energy: 1.281865390553343
Energy: 1.4099827789047457
Energy: 1.281865390553343
Energy: 1.4099827789063366
Energy: 1.281865390553343
Energy: 1.2694493582046749
Energy: 1.6984701686094898
Energy: 1.2694493582038795
Energy: 1.698470168608694
Energy: 1.2694493582038795
Energy: 1.6984701686094898
Energy: 1.3629098960992025
Energy: 1.3899623182601144
Energy: 1.3629098960992025
Energy: 1.3899623182593186
Energy: 1.3629098960992025
Energy: 1.3899623182593186
Energy: 1.2380129955412065
Energy: 1.4652719101255014
Energy: 1.2380129955404109
Energy: 1.4652719101255014
Energy: 1.2380129955412065
Energy: 1.4652719101262968

minimum gb energy = 1.219217692476923 eV
minimum distance =  2.21670744188654 Angstroms
sigma value = 33


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

Energy: 1.3980061994800366
Energy: 1.4159726084543027
Energy: 1.3980061994809416
Energy: 1.41597260845385
Energy: 1.398006199479584
Energy: 1.4159726084547553
Energy: 1.407873075182514
Energy: 1.3034653390158237
Energy: 1.4078730751816089
Energy: 1.3034653390158237
Energy: 1.407873075182514
Energy: 1.3034653390158237
Energy: 1.2224444385420121
Energy: 1.3053291548853654
Energy: 1.2224444385415596
Energy: 1.3053291548849129
Energy: 1.222444438541107
Energy: 1.305329154885818
Energy: 1.3764457134816863
Energy: 1.458351611264648
Energy: 1.3764457134816863
Energy: 1.458351611264648
Energy: 1.3764457134812336
Energy: 1.458351611264648
Energy: 1.304406977645104
Energy: 1.3958693330266179
Energy: 1.3044069776455567
Energy: 1.3958693330266179
Energy: 1.304406977645104
Energy: 1.3958693330261651
Energy: 1.311146966410812
Energy: 1.2181492339650686
Energy: 1.3111469664099071
Energy: 1.2181492339650686
Energy: 1.3111469664103594
Energy: 1.2181492339650686
Energy: 1.4159140574270734
Energy: 1.390402811673337
Energy: 1.4159140574297473
Energy: 1.390402811673337
Energy: 1.4159140574292948
Energy: 1.3904028116728846
Energy: 1.2042180086415686
Energy: 1.3844128836704908
Energy: 1.2042180086415686
Energy: 1.3844128836704908
Energy: 1.204218008641116
Energy: 1.384412883670943
Energy: 1.2713279842260996
Energy: 1.217744936460836
Energy: 1.2713279842260996
Energy: 1.2177449364603834
Energy: 1.2713279842265521
Energy: 1.2177449364603834
Energy: 1.1872728051426833
Energy: 1.3647027213015859
Energy: 1.1872728051426833
Energy: 1.3647027213029435
Energy: 1.1872728051435884
Energy: 1.3647027213011336
Energy: 1.364506694120747
Energy: 1.1895324611837952
Energy: 1.3645066941211998
Energy: 1.1895324611833424
Energy: 1.3645066941211998
Energy: 1.1895324611837952
Energy: 1.2164460336435727
Energy: 1.2701189876488288
Energy: 1.2164460336435727
Energy: 1.2701189876488288
Energy: 1.2164460336435727
Energy: 1.2701189876488288
Energy: 1.3844730172729323
Energy: 1.202619786206224
Energy: 1.3844730172733848
Energy: 1.2026197862066765
Energy: 1.3844730172733848
Energy: 1.2026197862066765
Energy: 1.3843410358313437
Energy: 1.416586277619967
Energy: 1.3843410358313437
Energy: 1.4165862776195146
Energy: 1.3843410358313437
Energy: 1.4165862776195146
Energy: 1.3392946439550057
Energy: 1.3066178354987703
Energy: 1.3392946439550057
Energy: 1.3066178354987703
Energy: 1.3392946439550057
Energy: 1.3066178354992226
Energy: 1.2184085203197021
Energy: 1.3062737761799788
Energy: 1.2184085203197021
Energy: 1.3062737761795262
Energy: 1.21840852031925
Energy: 1.3062737761795262
Energy: 1.4524103518646956
Energy: 1.3780801787376413
Energy: 1.452410351865148
Energy: 1.3780801787371888
Energy: 1.452410351865148
Energy: 1.3780801787371888
Energy: 1.305189501799518
Energy: 1.2179560146814101
Energy: 1.305189501799518
Energy: 1.2179560146809576
Energy: 1.305189501799518
Energy: 1.2179560146805053
Energy: 1.3066654442202543
Energy: 1.3389023686807677
Energy: 1.3066654442202543
Energy: 1.3389023686807677
Energy: 1.3066654442202543
Energy: 1.3389023686803152
Energy: 1.4176725581987422
Energy: 1.4024769382898057
Energy: 1.4176725581987422
Energy: 1.4024769382902582
Energy: 1.4176725581987422
Energy: 1.4024769382902582
Energy: 1.201167110473447
Energy: 1.384935155035944
Energy: 1.201167110473447
Energy: 1.384935155035944
Energy: 1.201167110473447
Energy: 1.384935155035944
Energy: 1.7139657468379883
Energy: 1.2178160334146708
Energy: 1.7139657468379883
Energy: 1.2178160334146708
Energy: 1.7139657468384408
Energy: 1.2178160334146708
Energy: 1.187849725766931
Energy: 1.3642951507060401
Energy: 1.187849725766931
Energy: 1.3642951507055876
Energy: 1.187849725766931
Energy: 1.3642951507055876
Energy: 1.3635672373996532
Energy: 1.304301002624422
Energy: 1.363567237400106
Energy: 1.304301002624422
Energy: 1.3635672373996532
Energy: 1.3043010026248743
Energy: 1.2220916750356716
Energy: 1.3104801216246162
Energy: 1.2220916750365767
Energy: 1.3104801216250686
Energy: 1.2220916750361241
Energy: 1.3104801216250686
Energy: 1.3846956550279768
Energy: 1.4243017582546704
Energy: 1.3846956550279768
Energy: 1.4243017582537654
Energy: 1.3846956550284295
Energy: 1.424301758254218
Energy: 1.3848804965486552
Energy: 1.4244395606225124
Energy: 1.3848804965491075
Energy: 1.4244395606234173
Energy: 1.3848804965486552
Energy: 1.4244395606225124
Energy: 1.2222963185696918
Energy: 1.310496819209502
Energy: 1.2222963185692393
Energy: 1.3104968192099544
Energy: 1.2222963185696918
Energy: 1.3104968192099544
Energy: 1.3633097598257062
Energy: 1.3044209003713918
Energy: 1.363309759826611
Energy: 1.3044209003709393
Energy: 1.3633097598270638
Energy: 1.3044209003709393
Energy: 1.1878599929233211
Energy: 1.3640209099696992
Energy: 1.1878599929228686
Energy: 1.3640209099696992
Energy: 1.1878599929233211
Energy: 1.3640209099706042
Energy: 1.7142939598531917
Energy: 1.2179134479041724
Energy: 1.7142939598522866
Energy: 1.217913447904625
Energy: 1.7142939598513818
Energy: 1.2179134479041724
Energy: 1.2012378059154123
Energy: 1.3856024282406383
Energy: 1.2012378059158648
Energy: 1.3856024282406383
Energy: 1.2012378059163173
Energy: 1.385602428241091
Energy: 1.4176062879870102
Energy: 1.4022635051922043
Energy: 1.4176062879870102
Energy: 1.4022635051917518
Energy: 1.4176062879870102
Energy: 1.4022635051922043
Energy: 1.306425803400041
Energy: 1.339207486923856
Energy: 1.306425803400041
Energy: 1.3392074869243087
Energy: 1.306425803400041
Energy: 1.3392074869243087
Energy: 1.3053444283745994
Energy: 1.2181675535341352
Energy: 1.3053444283750522
Energy: 1.2181675535336824
Energy: 1.3053444283759568
Energy: 1.2181675535336824
Energy: 1.4523597141349818
Energy: 1.3780907931551873
Energy: 1.4523597141349818
Energy: 1.3780907931551873
Energy: 1.4523597141349818
Energy: 1.3780907931551873
Energy: 1.218094278433108
Energy: 1.3056396364978302
Energy: 1.218094278433108
Energy: 1.3056396364969254
Energy: 1.218094278434013
Energy: 1.3056396364973777
Energy: 1.3392213569116027
Energy: 1.3066807432718264
Energy: 1.3392213569116027
Energy: 1.3066807432713743
Energy: 1.3392213569120552
Energy: 1.3066807432713743
Energy: 1.384314680869165
Energy: 1.4165679010741297
Energy: 1.3843146808687128
Energy: 1.4165679010741297
Energy: 1.3843146808687128
Energy: 1.4165679010745822
Energy: 1.3845216650369352
Energy: 1.2025292702128862
Energy: 1.3845216650369352
Energy: 1.2025292702119812
Energy: 1.3845216650369352
Energy: 1.2025292702119812
Energy: 1.2164592788399617
Energy: 1.2703069328244962
Energy: 1.2164592788395092
Energy: 1.2703069328244962
Energy: 1.2164592788395092
Energy: 1.2703069328244962

minimum gb energy = 1.1872728051426833 eV
minimum distance =  2.31846743624184 Angstroms
sigma value = 51


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

Energy: 1.3774761200438796
Energy: 1.3706678234668819
Energy: 1.3774761200438796
Energy: 1.3706678234668819
Energy: 1.3774761200438796
Energy: 1.3706678234679304
Energy: 1.5956912720831646
Energy: 1.2894396319765815
Energy: 1.5956912720831646
Energy: 1.28943963197763
Energy: 1.5956912720831646
Energy: 1.28943963197763
Energy: 1.2678384253971628
Energy: 1.565687819532318
Energy: 1.2678384253971628
Energy: 1.565687819532318
Energy: 1.2678384253971628
Energy: 1.565687819532318
Energy: 1.3317737581818592
Energy: 1.2103930979122406
Energy: 1.3317737581818592
Energy: 1.2103930979122406
Energy: 1.3317737581818592
Energy: 1.2103930979122406
Energy: 1.3862226043891286
Energy: 1.3277973528953326
Energy: 1.3862226043880799
Energy: 1.3277973528953326
Energy: 1.3862226043891286
Energy: 1.3277973528953326
Energy: 1.386638540522421
Energy: 1.327334154410676
Energy: 1.386638540522421
Energy: 1.327334154410676
Energy: 1.386638540522421
Energy: 1.327334154410676
Energy: 1.4316702964886998
Energy: 1.3278505264373563
Energy: 1.4316702964876515
Energy: 1.3278505264373563
Energy: 1.4316702964886998
Energy: 1.3278505264373563
Energy: 1.2594438525131895
Energy: 1.3280922098426318
Energy: 1.2594438525131895
Energy: 1.3280922098426318
Energy: 1.2594438525131895
Energy: 1.3280922098426318
Energy: 1.5555296863091235
Energy: 1.2071994738847895
Energy: 1.5555296863091235
Energy: 1.2071994738847895
Energy: 1.555529686308075
Energy: 1.2071994738847895
Energy: 1.2456183328919175
Energy: 1.5587323417959054
Energy: 1.245618332890869
Energy: 1.5587323417959054
Energy: 1.245618332890869
Energy: 1.5587323417959054
Energy: 1.5839900825576276
Energy: 1.2113980042791614
Energy: 1.5839900825565794
Energy: 1.2113980042791614
Energy: 1.5839900825565794
Energy: 1.2113980042791614
Energy: 1.3762831170953502
Energy: 1.373145000034236
Energy: 1.3762831170953502
Energy: 1.373145000034236
Energy: 1.3762831170953502
Energy: 1.373145000034236
Energy: 1.593928138479673
Energy: 1.2910350594202846
Energy: 1.593928138479673
Energy: 1.2910350594202846
Energy: 1.593928138479673
Energy: 1.2910350594202846
Energy: 1.3042503072481555
Energy: 1.2877540797871143
Energy: 1.3042503072481555
Energy: 1.2877540797871143
Energy: 1.3042503072481555
Energy: 1.2877540797871143
Energy: 1.3296857519062169
Energy: 1.3499153390921532
Energy: 1.3296857519062169
Energy: 1.3499153390921532
Energy: 1.3296857519062169
Energy: 1.3499153390921532
Energy: 1.3871739065932596
Energy: 1.3272134840249508
Energy: 1.3871739065932596
Energy: 1.3272134840249508
Energy: 1.3871739065932596
Energy: 1.3272134840259995
Energy: 1.3885967850690584
Energy: 1.4452759574529648
Energy: 1.3885967850690584
Energy: 1.4452759574529648
Energy: 1.3885967850690584
Energy: 1.4452759574519165
Energy: 1.3123723235514784
Energy: 1.329384710611307
Energy: 1.3123723235525269
Energy: 1.329384710611307
Energy: 1.3123723235514784
Energy: 1.3293847106123557

minimum gb energy = 1.2071994738847895 eV
minimum distance =  2.22505634801805 Angstroms
sigma value = 19


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

Energy: 1.116323635997296
Energy: 1.1250119066204889
Energy: 1.116323635997296
Energy: 1.1250119066204889
Energy: 1.116323635997296
Energy: 1.125011906619867
Energy: 1.3171208522736078
Energy: 1.3635222992455907
Energy: 1.3171208522736078
Energy: 1.3635222992455907
Energy: 1.3171208522742295
Energy: 1.3635222992455907
Energy: 1.058804153275101
Energy: 1.3630251435032736
Energy: 1.058804153275101
Energy: 1.3630251435032736
Energy: 1.0588041532757229
Energy: 1.3630251435038956
Energy: 1.1781840561469918
Energy: 1.0587962439979663
Energy: 1.178184056145748
Energy: 1.0587962439979663
Energy: 1.178184056145748
Energy: 1.0587962439979663
Energy: 1.0883614897613094
Energy: 1.1151614407254755
Energy: 1.0883614897613094
Energy: 1.1151614407254755
Energy: 1.0883614897613094
Energy: 1.1151614407254755
Energy: 1.0884944551393927
Energy: 1.1151974336530315
Energy: 1.0884944551381488
Energy: 1.1151974336530315
Energy: 1.0884944551387707
Energy: 1.1151974336524095
Energy: 1.1781158614990792
Energy: 1.0587870391250993
Energy: 1.1781158614978355
Energy: 1.0587870391250993
Energy: 1.1781158614984573
Energy: 1.0587870391250993
Energy: 1.0587779936730874
Energy: 1.3628330109799818
Energy: 1.0587779936730874
Energy: 1.3628330109799818
Energy: 1.0587779936730874
Energy: 1.3628330109793598
Energy: 1.3165322316082362
Energy: 1.3636229229759382
Energy: 1.3165322316076145
Energy: 1.3636229229753165
Energy: 1.3165322316082362
Energy: 1.3636229229753165
Energy: 1.116323635997296
Energy: 1.1250119066204889
Energy: 1.116323635997296
Energy: 1.1250119066204889
Energy: 1.116323635997296
Energy: 1.1250119066204889
Energy: 1.3171208522742295
Energy: 1.3635222992462124
Energy: 1.3171208522736078
Energy: 1.3635222992455907
Energy: 1.3171208522736078
Energy: 1.3635222992462124
Energy: 1.058804153275101
Energy: 1.3630251435032736
Energy: 1.058804153275101
Energy: 1.3630251435032736
Energy: 1.058804153275101
Energy: 1.3630251435032736
Energy: 1.178184056145748
Energy: 1.058796243998588
Energy: 1.17818405614637
Energy: 1.058796243998588
Energy: 1.178184056145748
Energy: 1.0587962439979663
Energy: 1.0883614897600655
Energy: 1.1151614407254755
Energy: 1.0883614897606875
Energy: 1.1151614407254755
Energy: 1.0883614897606875
Energy: 1.1151614407254755
Energy: 1.0884944551381488
Energy: 1.1151974336542754
Energy: 1.0884944551387707
Energy: 1.115197433655519
Energy: 1.0884944551387707
Energy: 1.1151974336542754
Energy: 1.1781158614978355
Energy: 1.058787039125693
Energy: 1.1781158614972134
Energy: 1.0587870391244776
Energy: 1.1781158614978355
Energy: 1.0587870391250993
Energy: 1.0587779936730874
Energy: 1.3628330109793598
Energy: 1.0587779936724653
Energy: 1.3628330109793598
Energy: 1.0587779936730874
Energy: 1.3628330109793598
Energy: 1.3165322316076145
Energy: 1.3636229229753165
Energy: 1.3165322316082362
Energy: 1.3636229229759382
Energy: 1.3165322316082362
Energy: 1.3636229229753165
Energy: 1.1163236359979176
Energy: 1.1250119066204889
Energy: 1.116323635997296
Energy: 1.1250119066204889
Energy: 1.116323635997296
Energy: 1.1250119066204889
Energy: 1.3171208522742295
Energy: 1.3635222992462124
Energy: 1.3171208522729856
Energy: 1.3635222992462124
Energy: 1.3171208522742295
Energy: 1.3635222992462124
Energy: 1.058804153275101
Energy: 1.3630251435032736
Energy: 1.058804153275101
Energy: 1.3630251435032736
Energy: 1.058804153275101
Energy: 1.3630251435032736
Energy: 1.1781840561469918
Energy: 1.058796243998588
Energy: 1.1781840561469918
Energy: 1.058796243998588
Energy: 1.178184056145748
Energy: 1.0587962439979663
Energy: 1.0883614897606875
Energy: 1.1151614407254755
Energy: 1.0883614897606875
Energy: 1.1151614407254755
Energy: 1.0883614897600655
Energy: 1.1151614407254755
Energy: 1.0884944551381488
Energy: 1.115197433655519
Energy: 1.0884944551393927
Energy: 1.115197433654897
Energy: 1.0884944551381488
Energy: 1.115197433654897
Energy: 1.1781158614984573
Energy: 1.0587870391250993
Energy: 1.1781158614978355
Energy: 1.0587870391250993
Energy: 1.1781158614978355
Energy: 1.0587870391250993
Energy: 1.0587779936724653
Energy: 1.3628330109799818
Energy: 1.0587779936730874
Energy: 1.3628330109793598
Energy: 1.0587779936730874
Energy: 1.3628330109793598
Energy: 1.3165322316082362
Energy: 1.3636229229759382
Energy: 1.3165322316082362
Energy: 1.3636229229759382
Energy: 1.3165322316076145
Energy: 1.3636229229753165
Energy: 1.116323635997296
Energy: 1.1250119066204889
Energy: 1.116323635997296
Energy: 1.1250119066204889
Energy: 1.116323635997296
Energy: 1.1250119066204889
Energy: 1.3171208522742295
Energy: 1.3635222992462124
Energy: 1.3171208522736078
Energy: 1.3635222992462124
Energy: 1.3171208522729856
Energy: 1.3635222992462124
Energy: 1.058804153274479
Energy: 1.3630251435032736
Energy: 1.058804153275101
Energy: 1.3630251435032736
Energy: 1.058804153275101
Energy: 1.3630251435032736

minimum gb energy = 1.0587779936724653 eV
minimum distance =  2.22886554746171 Angstroms
sigma value = 27


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

Energy: 1.1049754285367792
Energy: 1.060215621279174
Energy: 1.1049754285367792
Energy: 1.060215621279174
Energy: 1.1049754285367792
Energy: 1.060215621279174
Energy: 1.9361243402666592
Energy: 1.107753913280947
Energy: 1.9361243402666592
Energy: 1.107753913280947
Energy: 1.9361243402666592
Energy: 1.1077539132824705
Energy: 1.118491606425224
Energy: 1.249496586207767
Energy: 1.0961078491441785
Energy: 1.2494965862062437
Energy: 1.0961078491259324
Energy: 1.2494965862062437
Energy: 1.3979574565445854
Energy: 1.0262143780897097
Energy: 1.3979574565445854
Energy: 1.0262143780897097
Energy: 1.3979574565445854
Energy: 1.0262143780897097
Energy: 1.3996393219707592
Energy: 1.026282618993905
Energy: 1.3996393219707592
Energy: 1.026282618993905
Energy: 1.3996393219707592
Energy: 1.026282618993905
Energy: 1.2587678894823522
Energy: 1.330723492115354
Energy: 1.2587678894823522
Energy: 1.330723492115354
Energy: 1.2587678894823522
Energy: 1.330723492115354
Energy: 1.1928910641035555
Energy: 1.1106476613299399
Energy: 1.1928910640989854
Energy: 1.1106476613299399
Energy: 1.1928910641035555
Energy: 1.1106476613299399
Energy: 1.1022268746597066
Energy: 1.0607498913782831
Energy: 1.1022268746597066
Energy: 1.0607498913782831
Energy: 1.1022268746597066
Energy: 1.0607498913782831
Energy: 1.3879843812567543
Energy: 1.0960986646028619
Energy: 1.3879843812567543
Energy: 1.096098665211973
Energy: 1.3879843812567543
Energy: 1.0960986641338677
Energy: 1.1847154773636943
Energy: 1.287549924226372
Energy: 1.1847154773636943
Energy: 1.2875499242278956
Energy: 1.1847154773636943
Energy: 1.2875499242278956
Energy: 1.225189764629968
Energy: 1.026620670554916
Energy: 1.2251897646314915
Energy: 1.026620670554916
Energy: 1.1334671035525394
Energy: 1.026620670554916
Energy: 1.294198582241021
Energy: 1.2131603345516668
Energy: 1.294198582241021
Energy: 1.2131603345516668
Energy: 1.2941985822394975
Energy: 1.2131603345516668

minimum gb energy = 1.0262143780897097 eV
minimum distance =  2.20545012708201 Angstroms
sigma value = 9


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

Energy: 1.10839017936663
Energy: 1.025561120634049
Energy: 1.10839017936663
Energy: 1.025561120634477
Energy: 1.108390179365774
Energy: 1.025561120634477
Energy: 1.4608705253961365
Energy: 1.0234367799266384
Energy: 1.4608705253961365
Energy: 0.980755196676775
Energy: 1.4608705253965646
Energy: 0.9807551966763471
Energy: 0.9351880564210527
Energy: 1.3391609199373695
Energy: 0.9351880564219088
Energy: 1.3391609199382255
Energy: 0.9351880564206247
Energy: 1.3391609199373695
Energy: 0.9785490830368087
Energy: 0.9356596169336145
Energy: 0.9785490830372366
Energy: 0.9356596169336145
Energy: 0.9785490830368087
Energy: 0.9356596169336145
Energy: 1.0318082255337515
Energy: 0.9994393163439644
Energy: 1.0318082255333236
Energy: 0.9994393163452485
Energy: 1.0318082255328955
Energy: 0.9994393163443925
Energy: 1.075994555234176
Energy: 1.0612227634361056
Energy: 1.075994555234176
Energy: 1.0565443057102792
Energy: 1.075994555234176
Energy: 1.0565443057111352
Energy: 1.0075137891577193
Energy: 1.1110061857461597
Energy: 1.0075137891577193
Energy: 1.1110061857465876
Energy: 1.0075137891577193
Energy: 1.1110061857470157
Energy: 0.9043307382458303
Energy: 1.1447341089038507
Energy: 0.9043307382466863
Energy: 1.1447341089038507
Energy: 0.9043307382462582
Energy: 1.1447341089038507
Energy: 1.2211647177434373
Energy: 0.9965235262442761
Energy: 1.2211647177404412
Energy: 0.9965235262447042
Energy: 1.221164717741725
Energy: 0.9965235262451322
Energy: 1.0275666818356148
Energy: 1.3352276342175515
Energy: 1.0275666818356148
Energy: 1.3352276342175515
Energy: 1.027566681838183
Energy: 1.3352276342184075
Energy: 0.979365945230847
Energy: 0.9400071709413759
Energy: 0.979365945232131
Energy: 0.9400071709413759
Energy: 0.979365945230847
Energy: 0.9400071709418037
Energy: 0.9749397419648137
Energy: 1.024654573610327
Energy: 0.9749397419643857
Energy: 1.0246545736098989
Energy: 0.9749397419648137
Energy: 1.0246545736098989
Energy: 1.0492797494057151
Energy: 1.0169828859677392
Energy: 1.049279749404859
Energy: 1.0169828859677392
Energy: 1.0492797494057151
Energy: 1.0169828859677392
Energy: 1.1065491908035572
Energy: 1.1424768816652573
Energy: 1.1065491908035572
Energy: 1.142476881665685
Energy: 1.1065491908035572
Energy: 1.142476881665685
Energy: 0.9410675508817057
Energy: 1.0757820976304795
Energy: 0.9410675508829899
Energy: 1.0757820976304795
Energy: 0.9410675508825618
Energy: 1.0757820976304795
Energy: 1.1713695264086712
Energy: 1.082755713352569
Energy: 1.1713695264086712
Energy: 1.082755713352569
Energy: 1.1713695264095276
Energy: 1.082755713352997
Energy: 1.2619931445837052
Energy: 1.2298764278576466
Energy: 1.2619931445837052
Energy: 1.2298764278593586
Energy: 1.2619931445837052
Energy: 1.2298764278606427
Energy: 0.962728140554878
Energy: 0.9878100395793054
Energy: 0.962728140554022
Energy: 0.9878100395793054
Energy: 0.962728140554878
Energy: 0.9878100395797333
Energy: 0.900374205882035
Energy: 1.3448744698090742
Energy: 0.9003742058824631
Energy: 1.344874469808646
Energy: 0.900374205882891
Energy: 1.3448744698090742
Energy: 1.336412251282511
Energy: 1.0529863608109697
Energy: 1.336412251282511
Energy: 0.881446788463916
Energy: 1.3364122512820833
Energy: 0.881446788463488
Energy: 0.9003988527916427
Energy: 1.3451201790743454
Energy: 0.9003988527912146
Energy: 1.3451201790752016
Energy: 0.9003988527916427
Energy: 1.3451201790752016
Energy: 0.9626673939914642
Energy: 0.9879568802202099
Energy: 0.9626673939910363
Energy: 0.9879568802202099
Energy: 0.9626673939914642
Energy: 0.9879568802202099
Energy: 1.2623505380501379
Energy: 1.229470286756895
Energy: 1.2623505380497098
Energy: 1.2294702867573228
Energy: 1.2623505380501379
Energy: 1.229470286756895
Energy: 1.1711786145342136
Energy: 1.0075418301013748
Energy: 1.1711786145346417
Energy: 1.0075418301009467
Energy: 1.1711786145346417
Energy: 1.0075418301009467
Energy: 0.947019582871263
Energy: 1.0757695183480287
Energy: 0.9470195828716911
Energy: 1.075769518348457
Energy: 0.9470195828716911
Energy: 1.075769518348885
Energy: 1.1065960565097468
Energy: 1.1425691002131642
Energy: 1.106596056509319
Energy: 1.1425691002131642
Energy: 1.1065960565097468
Energy: 1.1425691002131642
Energy: 1.049911694681441
Energy: 1.0177622697716242
Energy: 1.0499116946818692
Energy: 1.0177622697720523
Energy: 1.0499116946810132
Energy: 1.0177622697720523
Energy: 0.9749572264610048
Energy: 0.9412993128400748
Energy: 0.9749572264597208
Energy: 0.9412993128400748
Energy: 0.9749572264605768
Energy: 0.9412993128405029
Energy: 0.9791590901814471
Energy: 0.9400455625661832
Energy: 0.9791590901818751
Energy: 0.9400455625657553
Energy: 0.9791590901810189
Energy: 0.9400455625657553
Energy: 1.0277872517807736
Energy: 1.3795357658191607
Energy: 1.0277872517816296
Energy: 1.3795357658191607
Energy: 1.0277872517816296
Energy: 1.3795357658191607
Energy: 1.0327497329015884
Energy: 0.9955008128155751
Energy: 1.0327497329011608
Energy: 0.9955008128160032
Energy: 1.0327497329028725
Energy: 0.9955008128155751
Energy: 0.9043300661413683
Energy: 1.1450991175339558
Energy: 0.9043300661417965
Energy: 1.1450991175339558
Energy: 0.9043300661417965
Energy: 1.1450991175343839
Energy: 1.007592249993375
Energy: 1.1114712633685653
Energy: 1.0075922499920908
Energy: 1.1114712633685653
Energy: 1.007592249992519
Energy: 1.1114712633672812
Energy: 1.0759187028741695
Energy: 0.9666829173074417
Energy: 1.075918702873313
Energy: 0.9666829173078698
Energy: 1.0759187028737411
Energy: 0.9666829173078698
Energy: 1.0315957176042543
Energy: 0.9994742364650433
Energy: 1.03159571760511
Energy: 0.9994742364646153
Energy: 1.031595717604682
Energy: 0.9994742364641874
Energy: 0.9785771700545275
Energy: 0.9353109579124547
Energy: 0.9785771700553835
Energy: 0.9353109579128827
Energy: 0.9785771700549556
Energy: 0.9353109579128827
Energy: 0.9354333254954361
Energy: 1.3391340759345367
Energy: 0.9354333254967201
Energy: 1.3391340759345367
Energy: 0.9354333254971483
Energy: 1.339134075935393
Energy: 1.461236866131887
Energy: 1.0364650038965544
Energy: 1.4612368661331712
Energy: 1.0364650038961265
Energy: 1.4612368661331712
Energy: 1.0364650038965544
Energy: 1.1083901793674862
Energy: 1.025561120634477
Energy: 1.1083901793674862
Energy: 1.0255611206323367
Energy: 1.108390179367914
Energy: 1.025561120634477
Energy: 1.4608705253965646
Energy: 0.9843576207245983
Energy: 1.4608705253969925
Energy: 0.9843576207241703
Energy: 1.4608705253965646
Energy: 0.9843576207245983
Energy: 0.9351880564201968
Energy: 1.3391609199369414
Energy: 0.9351880564214808
Energy: 1.3391609199373695
Energy: 0.9351880564201968
Energy: 1.3391609199360854
Energy: 0.9785490830359524
Energy: 0.9356596169344708
Energy: 0.9785490830363806
Energy: 0.9356596169344708
Energy: 0.9785490830363806
Energy: 0.9356596169348989
Energy: 1.0318082255311833
Energy: 0.9994393163448205
Energy: 1.0318082255307555
Energy: 0.9994393163448205
Energy: 1.0318082255311833
Energy: 0.9994393163443925

minimum gb energy = 0.881446788463488 eV
minimum distance =  2.29274335506994 Angstroms
sigma value = 57


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

Energy: 0.408423262996454
Energy: 0.4211019634859554
Energy: 0.408423262996454
Energy: 0.4211019634859554
Energy: 0.408423262996454
Energy: 0.4211019634859554
Energy: 0.5901505183693309
Energy: 0.40938304900814465
Energy: 0.5901505183693309
Energy: 0.40938304900814465
Energy: 0.5901505183693309
Energy: 0.4093830490071703
Energy: 0.4871386099419046
Energy: 0.5516998438202119
Energy: 0.4871386099419046
Energy: 0.5516998438202119
Energy: 0.4871386099419046
Energy: 0.5516998438202119
Energy: 0.4216002239182121
Energy: 0.4083798144449576
Energy: 0.42160022391431473
Energy: 0.40837981444398314
Energy: 0.42160022391431473
Energy: 0.40837981444398314
Energy: 0.5903215633904189
Energy: 0.5958317195790642
Energy: 0.5903215633904189
Energy: 0.5958317195790642
Energy: 0.5903215633904189
Energy: 0.5958317195780899
Energy: 0.40861210660060276
Energy: 0.48625891226266255
Energy: 0.40861210660060276
Energy: 0.48625891226266255
Energy: 0.4086121066015771
Energy: 0.48625891226266255
Energy: 0.40857631783385123
Energy: 0.48624516585661876
Energy: 0.40857631783385123
Energy: 0.48624516585661876
Energy: 0.40857631783385123
Energy: 0.48624516585661876
Energy: 0.5903027395761165
Energy: 0.5958403600602752
Energy: 0.5903027395761165
Energy: 0.5958403600602752
Energy: 0.5903027395761165
Energy: 0.5958403600602752
Energy: 0.42158269647924324
Energy: 0.40853174830051253
Energy: 0.42158269648119207
Energy: 0.40853174830051253
Energy: 0.42158269648216634
Energy: 0.408531748301487
Energy: 0.4870982674843212
Energy: 0.5516236257615501
Energy: 0.4870982674843212
Energy: 0.5516236257615501
Energy: 0.4870982674843212
Energy: 0.5516236257615501
Energy: 0.5901146246716982
Energy: 0.4093013447335354
Energy: 0.5901146246716982
Energy: 0.4093013447345097
Energy: 0.5901146246716982
Energy: 0.4093013447335354
Energy: 0.408423262996454
Energy: 0.42110196348498097
Energy: 0.408423262996454
Energy: 0.42110196348498097
Energy: 0.408423262996454
Energy: 0.4211019634859554
Energy: 0.5901505183683565
Energy: 0.40938304900814465
Energy: 0.5901505183693309
Energy: 0.40938304900814465
Energy: 0.5901505183683565
Energy: 0.40938304900814465
Energy: 0.4871386099419046
Energy: 0.5516998438202119
Energy: 0.4871386099419046
Energy: 0.5516998438202119
Energy: 0.4871386099419046
Energy: 0.5516998438202119
Energy: 0.4216002239162634
Energy: 0.40837981444398314
Energy: 0.4216002239162634
Energy: 0.40837981444398314
Energy: 0.42160022391528895
Energy: 0.40837981444398314
Energy: 0.5903215633904189
Energy: 0.5958317195780899
Energy: 0.5903215633904189
Energy: 0.5958317195780899
Energy: 0.5903215633904189
Energy: 0.5958317195780899
Energy: 0.4086121066015771
Energy: 0.4862589122616881
Energy: 0.40861210660060276
Energy: 0.48625891226071377
Energy: 0.4086121066015771
Energy: 0.48625891226071377
Energy: 0.40857631783385123
Energy: 0.4862451658575931
Energy: 0.40857631783385123
Energy: 0.4862451658575931
Energy: 0.40857631783385123
Energy: 0.4862451658575931
Energy: 0.5903027395761165
Energy: 0.5958403600602752
Energy: 0.5903027395761165
Energy: 0.5958403600612495
Energy: 0.5903027395761165
Energy: 0.5958403600612495

minimum gb energy = 0.40837981444398314 eV
minimum distance =  2.39587261356707 Angstroms
sigma value = 11


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

Energy: 0.8274849993805395
Energy: 0.9384520414516414
Energy: 0.8274849993805395
Energy: 0.9384520414516414
Energy: 0.8274849993805395
Energy: 0.9384520414523551
Energy: 1.0248371680672113
Energy: 0.952207264804428
Energy: 1.0248371680664972
Energy: 0.952207264804428
Energy: 1.0248371680672113
Energy: 0.952207264804428
Energy: 0.9899761023826406
Energy: 1.4331856109943044
Energy: 0.9899761023826406
Energy: 1.433185610995018
Energy: 0.9899761023819269
Energy: 1.433185610995018
Energy: 1.2526330029926203
Energy: 0.7637798662446925
Energy: 1.2526330029919066
Energy: 0.7637798662439788
Energy: 1.2526330029919066
Energy: 0.7637798662446925
Energy: 0.9058233727403907
Energy: 0.7389422571438431
Energy: 0.9058233727403907
Energy: 0.7389422571445569
Energy: 0.9058233727403907
Energy: 0.7389422571438431
Energy: 0.9048206650047026
Energy: 1.0502180861851127
Energy: 0.9048206650032752
Energy: 1.0502180861851127
Energy: 0.9048206650032752
Energy: 1.0502180861851127
Energy: 0.7215949586743087
Energy: 1.1363804380078775
Energy: 0.7215949586750224
Energy: 1.1363804380064502
Energy: 0.7215949586750224
Energy: 1.1363804380078775
Energy: 0.9740652082939613
Energy: 0.697440564119352
Energy: 0.9740652082939613
Energy: 0.6974405641200657
Energy: 0.9740652082932475
Energy: 0.6974405641200657
Energy: 0.9703113062653782
Energy: 0.7023283768177662
Energy: 0.9703113062660921
Energy: 0.7023283768170524
Energy: 0.9703113062653782
Energy: 0.7023283768170524
Energy: 0.715674362828491
Energy: 1.274544220220333
Energy: 0.7156743628277772
Energy: 1.274544220220333
Energy: 0.715674362828491
Energy: 1.2745442202210469
Energy: 0.912875648150102
Energy: 1.2159221969615566
Energy: 0.9128756481493882
Energy: 1.215922196960843
Energy: 0.9128756481486746
Energy: 1.215922196960843
Energy: 0.90756943859863
Energy: 0.7388812634056239
Energy: 0.90756943859863
Energy: 0.7388812634049102
Energy: 0.90756943859863
Energy: 0.7388812634056239
Energy: 0.9866661903931055
Energy: 0.7470234441570763
Energy: 0.9866661903931055
Energy: 0.7470234441570763
Energy: 0.9866661903923919
Energy: 0.7470234441563627
Energy: 1.0594330550826032
Energy: 1.4013816533770613
Energy: 1.0594330550826032
Energy: 1.4013816533763475
Energy: 1.0594330550826032
Energy: 1.4013816533770613
Energy: 1.0216043035907028
Energy: 0.944920838163959
Energy: 1.021604303589989
Energy: 0.944920838163959
Energy: 1.0216043035892755
Energy: 0.9449208381646725
Energy: 0.7870226035961809
Energy: 0.9652208573646409
Energy: 0.7870226035961809
Energy: 0.9652208573646409
Energy: 0.7870226035961809
Energy: 0.9652208573646409
Energy: 0.8704423833989938
Energy: 0.9008918010360111
Energy: 0.8704423833997074
Energy: 0.9008918010360111
Energy: 0.8704423833997074
Energy: 0.9008918010352972
Energy: 1.244246874950034
Energy: 1.3971401178471954
Energy: 1.244246874950034
Energy: 1.3971401178471954
Energy: 1.2442468749493203
Energy: 1.3971401178471954
Energy: 1.1500723154941275
Energy: 0.758451291331135
Energy: 1.1500723154941275
Energy: 0.7584512913318487
Energy: 1.1500723154941275
Energy: 0.758451291331135
Energy: 0.9078672989591479
Energy: 0.8745754256841141
Energy: 0.9078672989584342
Energy: 0.8745754256834002
Energy: 0.9078672989584342
Energy: 0.8745754256841141
Energy: 0.7215259129247341
Energy: 1.0319642143795433
Energy: 0.7215259129240204
Energy: 1.0319642143795433
Energy: 0.7215259129247341
Energy: 1.0319642143795433
Energy: 1.008195460685705
Energy: 1.135846539621106
Energy: 1.008195460685705
Energy: 1.135846539618251
Energy: 1.008195460685705
Energy: 1.135846539618251
Energy: 1.0851552375847426
Energy: 0.8742790143144149
Energy: 1.0851552375847426
Energy: 0.8742790143151286
Energy: 1.0851552375854563
Energy: 0.8742790143151286
Energy: 0.9681467204745147
Energy: 0.8189940570959987
Energy: 0.9681467204759421
Energy: 0.8189940570959987
Energy: 0.9681467204752283
Energy: 0.8189940570967124
Energy: 0.7217359368069276
Energy: 1.2142079271428847
Energy: 0.721735936808355
Energy: 1.2142079271407433
Energy: 0.7217359368076413
Energy: 1.2142079271414572
Energy: 1.4899042174766994
Energy: 1.0033606207383803
Energy: 1.4899042174759858
Energy: 1.0033606207369528
Energy: 1.4899042174766994
Energy: 1.0033606207369528

minimum gb energy = 0.697440564119352 eV
minimum distance =  2.29393588121203 Angstroms
sigma value = 41


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

Energy: 1.1079386353133003
Energy: 0.8900012271896296
Energy: 1.1079386353121752
Energy: 0.8900012271896296
Energy: 1.1079386353133003
Energy: 0.8900012271896296
Energy: 1.0673279330851453
Energy: 1.1031884980994624
Energy: 1.0673279330845828
Energy: 1.1031884981000248
Energy: 1.0673279330851453
Energy: 1.1031884981000248
Energy: 1.3758591732660572
Energy: 1.2809300078623798
Energy: 1.3758591732654946
Energy: 1.2809300078623798
Energy: 1.3758591732671823
Energy: 1.2809300078612544
Energy: 0.9947966749705419
Energy: 0.8142779342217777
Energy: 0.9947966749705419
Energy: 0.8142779342223403
Energy: 0.9947966749699793
Energy: 0.8142779342217777
Energy: 0.8027052571193636
Energy: 0.8901391194314036
Energy: 0.8027052571188011
Energy: 0.8901391194314036
Energy: 0.8027052571188011
Energy: 0.8901391194314036
Energy: 1.0394352211876787
Energy: 1.3000083285689943
Energy: 1.0394352211882414
Energy: 1.3000083285689943
Energy: 1.0394352211882414
Energy: 1.3000083285695567
Energy: 0.8050211857728267
Energy: 1.2016444687777685
Energy: 0.8050211857728267
Energy: 1.2016444687772059
Energy: 0.8050211857728267
Energy: 1.2016444687766434
Energy: 0.7796267138100366
Energy: 0.8142952419681829
Energy: 0.7796267138100366
Energy: 0.8142952419704332
Energy: 0.7796267138100366
Energy: 0.814295241969308
Energy: 0.8215487699780337
Energy: 0.8790890866619053
Energy: 0.8215487699780337
Energy: 0.8790890866613428
Energy: 0.8215487699785962
Energy: 0.8790890866613428
Energy: 0.8620199950522763
Energy: 1.3283631998060894
Energy: 0.8620199950522763
Energy: 1.3283631998060894
Energy: 0.8620199950522763
Energy: 1.3283631998066519
Energy: 0.8683883173834605
Energy: 1.3197358581577665
Energy: 0.868388317384023
Energy: 1.3197358581577665
Energy: 0.868388317384023
Energy: 1.3197358581577665
Energy: 0.7712258502021482
Energy: 0.9883185461538117
Energy: 0.7712258502021482
Energy: 0.9883185461538117
Energy: 0.7712258502015856
Energy: 0.9883185461538117
Energy: 0.7798571613407457
Energy: 0.8645813890999277
Energy: 0.7798571613401832
Energy: 0.8645813890993651
Energy: 0.7798571613401832
Energy: 0.8645813890993651
Energy: 0.7402394764655339
Energy: 1.2169450260423853
Energy: 0.7402394764660964
Energy: 1.216945026045198
Energy: 0.7402394764660964
Energy: 1.2169450260440728
Energy: 1.0408766409548862
Energy: 1.3000187833450032
Energy: 1.0408766409565737
Energy: 1.3000187833444408
Energy: 1.0408766409548862
Energy: 1.3000187833450032
Energy: 0.7399680346473775
Energy: 1.004686114240133
Energy: 0.7399680346473775
Energy: 1.0046861142395704
Energy: 0.73996803464794
Energy: 1.004686114240133
Energy: 0.7928288791030393
Energy: 0.8644980796497752
Energy: 0.7928288791030393
Energy: 0.8644980796514629
Energy: 0.7928288791030393
Energy: 0.8644980796509002
Energy: 1.0296215069151031
Energy: 1.7306204459012637
Energy: 1.0296215069145407
Energy: 1.7306204459018262
Energy: 1.0296215069145407
Energy: 1.7306204459012637
Energy: 1.0656343213914334
Energy: 1.1113699654545295
Energy: 1.0656343213903083
Energy: 1.1113699654545295
Energy: 1.0656343213914334
Energy: 1.1113699654545295
Energy: 0.8657007120955041
Energy: 1.125727790301317
Energy: 0.8657007120960667
Energy: 1.1257277903007543
Energy: 0.8657007120955041
Energy: 1.125727790301317
Energy: 0.791842861058301
Energy: 1.0738858765898824
Energy: 0.7918428610588636
Energy: 1.0738858765893198
Energy: 0.791842861058301
Energy: 1.0738858765898824
Energy: 0.9296025293585346
Energy: 1.4498138501196773
Energy: 0.9296025293585346
Energy: 1.4498138501196773
Energy: 0.9296025293579723
Energy: 1.4498138501196773
Energy: 0.9555604848686046
Energy: 0.8148404528921692
Energy: 0.9555604848686046
Energy: 0.8148404528921692
Energy: 0.9555604848691671
Energy: 0.8148404528921692
Energy: 0.7404888088521112
Energy: 1.1430328881526637
Energy: 0.740488808853799
Energy: 1.1430328881526637
Energy: 0.7404888088526738
Energy: 1.1430328881532261
Energy: 0.739092699583835
Energy: 1.2122967918793814
Energy: 0.739092699583835
Energy: 1.2122967918793814
Energy: 0.739092699583835
Energy: 1.212296791879944
Energy: 0.7988837347732891
Energy: 0.7989691981628353
Energy: 0.7988837347738516
Energy: 0.7989691981639604
Energy: 0.7988837347732891
Energy: 0.7989691981639604
Energy: 0.7779623729455287
Energy: 0.8152051138115303
Energy: 0.7779623729455287
Energy: 0.8152051138120928
Energy: 0.7779623729466537
Energy: 0.8152051138115303
Energy: 0.821210419541079
Energy: 1.07250824454203
Energy: 0.8212104195416416
Energy: 1.0725082445425929
Energy: 0.821210419541079
Energy: 1.0725082445425929
Energy: 0.864782277492712
Energy: 1.1309956062968518
Energy: 0.864782277492712
Energy: 1.1309956062968518
Energy: 0.864782277492712
Energy: 1.1309956062968518
Energy: 1.282538476914568
Energy: 0.7402112402805562
Energy: 1.2825384769151307
Energy: 0.7402112402811186
Energy: 1.2825384769151307
Energy: 0.7402112402805562
Energy: 0.7792474840365636
Energy: 0.9793487102336074
Energy: 0.7792474840376888
Energy: 0.9793487102341698
Energy: 0.7792474840371262
Energy: 0.9793487102341698
Energy: 0.8298537105638507
Energy: 0.863154733218369
Energy: 0.829853710563288
Energy: 0.8631547332189317
Energy: 0.8298537105638507
Energy: 0.863154733218369
Energy: 0.739510175977246
Energy: 1.0036881160277997
Energy: 0.739510175977246
Energy: 1.0036881160277997
Energy: 0.7395101759778085
Energy: 1.0036881160277997

minimum gb energy = 0.739092699583835 eV
minimum distance =  2.3314907613262 Angstroms
sigma value = 33


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

Energy: 0.9622142403976028
Energy: 0.88454457161529
Energy: 0.9622142403960234
Energy: 0.8845445716156489
Energy: 0.9622142403972438
Energy: 0.8845445716156489
Energy: 1.2283479519459115
Energy: 0.8108319490428437
Energy: 1.2283479519455525
Energy: 0.8108319490424131
Energy: 1.2283479519447629
Energy: 0.8108319490424131
Energy: 1.4669373490677482
Energy: 1.3822958268208105
Energy: 1.4669373490685378
Energy: 1.3822958268216001
Energy: 1.4669373490665996
Energy: 1.382295826821241
Energy: 0.8516851866073927
Energy: 0.8367092441414301
Energy: 0.8516851866081823
Energy: 0.8367092441414301
Energy: 0.8516851866094026
Energy: 0.8367092441414301
Energy: 0.8707136814902257
Energy: 0.8162350215657842
Energy: 0.8707136814890053
Energy: 0.816235021568153
Energy: 0.8707136814910151
Energy: 0.8162350215637743
Energy: 1.1803331367528531
Energy: 0.8712244332587551
Energy: 1.1803331367532122
Energy: 0.8712244332591859
Energy: 1.1803331367524224
Energy: 0.8712244332599755
Energy: 0.8369299186803691
Energy: 0.9289436497511876
Energy: 0.8369299186807279
Energy: 0.9289436497511876
Energy: 0.8369299186799383
Energy: 0.9289436497511876
Energy: 0.8960474884672964
Energy: 0.8844630408362997
Energy: 0.896047488468086
Energy: 0.8844630408370893
Energy: 0.8960474884677271
Energy: 0.8844630408366587
Energy: 0.815154458783482
Energy: 0.9012525745933244
Energy: 0.81515445878542
Energy: 0.901252574593755
Energy: 0.8151544587846306
Energy: 0.9012525745933244
Energy: 1.2430520206366034
Energy: 0.8441921512601359
Energy: 1.2430520206362445
Energy: 0.8441921512604947
Energy: 1.2430520206366034
Energy: 0.8441921512597053
Energy: 0.9009529785894793
Energy: 1.32095784230745
Energy: 0.90095297858991
Energy: 1.32095784230745
Energy: 0.9009529785886897
Energy: 1.3209578423070911
Energy: 1.4568492578688972
Energy: 0.8368424256563946
Energy: 1.4568492578685384
Energy: 0.8368424256563946
Energy: 1.4568492578688972
Energy: 0.8368424256556051
Energy: 0.900228810903699
Energy: 0.8149785290889161
Energy: 0.9002288109025505
Energy: 0.8149785290861166
Energy: 0.9002288109041299
Energy: 0.8149785290857577
Energy: 0.883775760139297
Energy: 0.9000976751882674
Energy: 0.8837757601397276
Energy: 0.9000976751886265
Energy: 0.8837757601397276
Energy: 0.900097675187478
Energy: 0.8989684648646863
Energy: 0.829903796624779
Energy: 0.8989684648666962
Energy: 0.8299037966255688
Energy: 0.8989684648651168
Energy: 0.8299037966255688
Energy: 0.8569344830924469
Energy: 1.1781315977658702
Energy: 0.8569344830932364
Energy: 1.1781315977647215
Energy: 0.8569344830920879
Energy: 1.1781315977655114
Energy: 0.8170643632852201
Energy: 0.8712517694936192
Energy: 0.8170643632678488
Energy: 0.8712517694931884
Energy: 0.8170643632880195
Energy: 0.8712517694928297
Energy: 0.8313419703753167
Energy: 0.8537870955264719
Energy: 0.8313419703756755
Energy: 0.8537870955276923
Energy: 0.8313419703756755
Energy: 0.8537870955280512
Energy: 1.2331641559103872
Energy: 1.1697953446925715
Energy: 1.2331641559095976
Energy: 1.1697953446930018
Energy: 1.2331641559083772
Energy: 1.1697953446925715
Energy: 1.1346544114972783
Energy: 0.8753959858801752
Energy: 1.1346544114988577
Energy: 0.8753959858793856
Energy: 1.134654411502016
Energy: 0.8753959858793856
Energy: 0.8182308428035694
Energy: 0.9628800099053264
Energy: 0.8182308428039284
Energy: 0.9628800099029576
Energy: 0.8182308428039284
Energy: 0.9628800099033884
Energy: 0.8052250184618329
Energy: 1.2313841766880576
Energy: 0.8052250184618329
Energy: 1.2313841766880576
Energy: 0.8052250184614741
Energy: 1.2313841766864784
Energy: 1.3133000873944565
Energy: 1.1198453690621526
Energy: 1.3133000874015628
Energy: 1.1198453690617938
Energy: 1.3133000873968252
Energy: 1.119845369061363
Energy: 0.8149497901172075
Energy: 0.8533031929501762
Energy: 0.8149497901148388
Energy: 0.8533031929509658
Energy: 0.8149497901223043
Energy: 0.8533031929498173
Energy: 0.8178691066303885
Energy: 0.871412731287958
Energy: 0.8178691066201956
Energy: 0.8714127312883888
Energy: 0.8178691066351264
Energy: 0.8714127312898962
Energy: 0.8645310484738553
Energy: 1.1714027479111908
Energy: 0.8645310484742144
Energy: 1.1714027479119804
Energy: 0.8645310484742144
Energy: 1.1714027479119804
Energy: 0.9485169943783217
Energy: 0.8423798490030565
Energy: 0.9485169943783217
Energy: 0.8423798490030565
Energy: 0.9485169943783217
Energy: 0.8423798490030565
Energy: 0.9646565011758688
Energy: 0.8164293342439705
Energy: 0.9646565011766582
Energy: 0.8164293342439705
Energy: 0.9646565011758688
Energy: 0.8164293342443293
Energy: 0.9033052045135712
Energy: 1.449052338269356
Energy: 0.9033052045155812
Energy: 1.449052338269356
Energy: 0.9033052045147916
Energy: 1.4490523382689973
Energy: 0.8372911123007707
Energy: 1.240447479592372
Energy: 0.8372911123015603
Energy: 1.240447479592372
Energy: 0.8372911123015603
Energy: 1.240447479592372
Energy: 0.8554942293736543
Energy: 0.8241865475751462
Energy: 0.8554942293728648
Energy: 0.8241865475751462
Energy: 0.8554942293728648
Energy: 0.8241865475751462
Energy: 0.8151813568646953
Energy: 1.4544813490716415
Energy: 0.8151813568639056
Energy: 1.4544813490716415
Energy: 0.8151813568635469
Energy: 1.454481349072431
Energy: 1.134417067853185
Energy: 0.9032756807298749
Energy: 1.1344170678519645
Energy: 0.9032756807295159
Energy: 1.134417067849237
Energy: 0.9032756807290853
Energy: 0.9016380941372862
Energy: 0.9087111122283684
Energy: 0.9016380941372862
Energy: 0.9087111122307373
Energy: 0.9016380941372862
Energy: 0.9087111122299477
Energy: 0.9011974902188187
Energy: 0.9088037407912973
Energy: 0.9011974902199672
Energy: 0.9088037407912973
Energy: 0.9011974902188187
Energy: 0.9088037407908667
Energy: 1.1337528794862084
Energy: 0.9031341285849284
Energy: 1.1337528794803224
Energy: 0.9031341285849284
Energy: 1.1337528794842704
Energy: 0.903134128585718
Energy: 0.8152172105925884
Energy: 1.4545008941459106
Energy: 0.8152172105914399
Energy: 1.45450089414548
Energy: 0.8152172105930191
Energy: 1.4545008941462696
Energy: 0.8562124961448971
Energy: 0.8241577476495593
Energy: 0.856212496145328
Energy: 0.8241577476495593
Energy: 0.8562124961456867
Energy: 0.8241577476499901
Energy: 0.8372885039302606
Energy: 1.2402023875003985
Energy: 0.8372885039299016
Energy: 1.2402023874999677
Energy: 0.8372885039306912
Energy: 1.2402023875003985
Energy: 0.9031590337277154
Energy: 1.4489954057936405
Energy: 0.9031590337277154
Energy: 1.4489954057932817
Energy: 0.9031590337273564
Energy: 1.4489954057932817
Energy: 0.9647715835365828
Energy: 0.8161490364497979
Energy: 0.9647715835365828
Energy: 0.8161490364474292
Energy: 0.9647715835369417
Energy: 0.8161490364490083
Energy: 0.9486513899786334
Energy: 0.8425807243688709
Energy: 0.948651389979423
Energy: 0.8425807243688709
Energy: 0.9486513899786334
Energy: 0.8425807243684401
Energy: 0.8644883751811573
Energy: 1.1713522084341064
Energy: 0.864488375181588
Energy: 1.1713522084341064
Energy: 0.8644883751835261
Energy: 1.171352208434896
Energy: 0.8177155389085998
Energy: 0.871383342017938
Energy: 0.8177155389090305
Energy: 0.8713833420198761
Energy: 0.8177155389101789
Energy: 0.8713833420190865
Energy: 0.8154109260775569
Energy: 0.851545173171074
Energy: 0.8154109260740398
Energy: 0.8515451731789702
Energy: 0.8154109260743986
Energy: 0.8515451731746633
Energy: 1.313687589675262
Energy: 1.1196980000312933
Energy: 1.3136875896748317
Energy: 1.1196980000316523
Energy: 1.3136875896748317
Energy: 1.1196980000308625
Energy: 0.8048882501300503
Energy: 1.2320452593075146
Energy: 0.8048882501288299
Energy: 1.232045259306366
Energy: 0.8048882501300503
Energy: 1.232045259306366

minimum gb energy = 0.8048882501288299 eV
minimum distance =  2.31405037739047 Angstroms
sigma value = 67


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

Energy: 0.9671760333228396
Energy: 0.8825013193634004
Energy: 0.9671760333228396
Energy: 0.8825013193634004
Energy: 0.9671760333228396
Energy: 0.8825013193634004
Energy: 0.9350301112869187
Energy: 0.8534734266877483
Energy: 0.9350301112869187
Energy: 0.8534734266877483
Energy: 0.9350301112869187
Energy: 0.8534734266877483
Energy: 0.8957474827906695
Energy: 1.0962720990625083
Energy: 0.8957474827906695
Energy: 1.0962720990625083
Energy: 0.9087422475990512
Energy: 1.0962720990625083
Energy: 0.9352434263422258
Energy: 0.8534824737158028
Energy: 0.9352434263422258
Energy: 0.8534824737158028
Energy: 0.9352434263422258
Energy: 0.8534824737158028
Energy: 0.9671760333228396
Energy: 0.8825013193634004
Energy: 0.9671760333228396
Energy: 0.8825013193634004
Energy: 0.9671760333228396
Energy: 0.8825013193634004
Energy: 0.9350301112869187
Energy: 0.8534734266877483
Energy: 0.9350301112869187
Energy: 0.8534734266877483
Energy: 0.9350301112869187
Energy: 0.8534734266877483
Energy: 0.8957474827906695
Energy: 1.0962720990598698
Energy: 0.8957474827906695
Energy: 1.0962720990598698
Energy: 0.8957474827906695
Energy: 1.0962720990598698

minimum gb energy = 0.8534734266877483 eV
minimum distance =  2.31863095936219 Angstroms
sigma value = 3


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

Energy: 1.53581724149168
Energy: 1.0188650595635131
Energy: 1.53581724149168
Energy: 1.0188650595635131
Energy: 1.53581724149168
Energy: 1.0188650595635131
Energy: 1.094067328760759
Energy: 0.9499058686963048
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Energy: 0.9866390655005675
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Energy: 0.9866390654862048
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Energy: 0.9866390655077488
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Energy: 0.9455693725280427
Energy: 1.182457424449086
Energy: 0.9455693725280427
Energy: 1.182457424445495
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Energy: 1.182457424445495
Energy: 1.130892881559382
Energy: 1.091957238316323
Energy: 1.1308928815629726
Energy: 1.091957238316323
Energy: 1.1308928815629726
Energy: 1.091957238316323
Energy: 0.9791587090236095
Energy: 1.1804359328233343
Energy: 0.9791587090236095
Energy: 1.1804359328233343
Energy: 0.9791587090236095
Energy: 1.1804359328233343
Energy: 1.3050126389091259
Energy: 1.0218293524406423
Energy: 1.3050126389091259
Energy: 1.0218293524406423
Energy: 1.3050126389091259
Energy: 1.0218293524406423
Energy: 0.9694814845508982
Energy: 1.2830925809144245
Energy: 0.9694814845508982
Energy: 1.2830925809180151
Energy: 0.9694814845508982
Energy: 1.2830925809144245
Energy: 1.269391904911192
Energy: 0.9490609524483615
Energy: 1.269391904911192
Energy: 0.9490609524483615
Energy: 1.269391904911192
Energy: 0.9490609524483615
Energy: 1.0477625771827281
Energy: 1.0823930901850072
Energy: 1.0477625771827281
Energy: 1.0823930901814163
Energy: 1.0477625771827281
Energy: 1.0823930901850072
Energy: 1.200322360642684
Energy: 0.9579596441798127
Energy: 1.200322360642684
Energy: 0.9579596441798127
Energy: 1.200322360642684
Energy: 0.9579596441834033
Energy: 1.0665476335041768
Energy: 1.124012592437369
Energy: 1.0665476335041768
Energy: 1.1240125924337783
Energy: 1.0665476335041768
Energy: 1.1240125924337783
Energy: 1.0719397345599098
Energy: 0.9731588732423425
Energy: 1.0719397345599098
Energy: 0.9731588732423425
Energy: 1.0719397345599098
Energy: 0.9731588732423425
Energy: 0.9807496609786703
Energy: 1.067087912423824
Energy: 0.9807496609750798
Energy: 1.067087912423824
Energy: 0.9807496609750798
Energy: 1.067087912423824
Energy: 1.0637526025875277
Energy: 1.072274526626191
Energy: 1.063752602583937
Energy: 1.072274526626191
Energy: 1.0637526025875277
Energy: 1.072274526626191
Energy: 1.0012093653622756
Energy: 1.0908649189430482
Energy: 1.0012093653622756
Energy: 1.09086491895382
Energy: 1.0012093653622756
Energy: 1.0908649189466388

minimum gb energy = 0.9300837885163561 eV
minimum distance =  2.28216453463208 Angstroms
sigma value = 81


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

Energy: 1.3146614012290478
Energy: 0.9688791891474645
Energy: 1.314661401228555
Energy: 0.9688791891484503
Energy: 1.3146614012290478
Energy: 0.9688791891479576
Energy: 0.8901228501064288
Energy: 1.019074724191713
Energy: 0.8901228501069216
Energy: 1.019074724189249
Energy: 0.8901228501064288
Energy: 1.019074724191713
Energy: 1.2825589009129597
Energy: 1.1226371535122985
Energy: 1.2825589009134526
Energy: 1.1226371535122985
Energy: 1.2825589009129597
Energy: 1.1226371535122985
Energy: 0.9713324218893404
Energy: 1.1103495706150042
Energy: 0.9713324218883549
Energy: 1.110349570615497
Energy: 0.9713324218888477
Energy: 1.110349570615497
Energy: 0.9110988693838252
Energy: 0.8968914148838621
Energy: 0.9110988693833323
Energy: 0.8968914148873117
Energy: 0.9110988693828396
Energy: 0.8968914148858333
Energy: 0.8904106322412481
Energy: 0.8869013430402192
Energy: 0.8904106322402624
Energy: 0.8869013430407121
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Energy: 0.8869013430407121
Energy: 0.8572287815862311
Energy: 0.8872664939574072
Energy: 0.8572287815852454
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Energy: 0.8572287815862311
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Energy: 1.022892887657578
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Energy: 0.8865725500226778
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Energy: 0.8952998713207727
Energy: 0.9877045054230077
Energy: 0.8952998713212657
Energy: 0.9877045054244862
Energy: 0.8952998713217584
Energy: 0.987704505424979
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Energy: 1.122044834156824
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Energy: 1.1220448341563314
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Energy: 1.1204697038785303
Energy: 0.8521932646199336
Energy: 1.120469703879023
Energy: 0.8521932646219049
Energy: 1.1204697038780373
Energy: 0.8521932646199336
Energy: 1.020100380133423
Energy: 0.8906258547962913
Energy: 1.0201003801339157
Energy: 0.8906258547967841
Energy: 1.020100380133423
Energy: 0.8906258547948129
Energy: 1.11307044587827
Energy: 0.8867789929336917
Energy: 1.1130704458792557
Energy: 0.8867789929262995
Energy: 1.1130704458792557
Energy: 0.8867789929361556
Energy: 0.8493705489339627
Energy: 0.9696624513552344
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Energy: 0.84937054893347
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Energy: 1.1219889085371355
Energy: 1.3503712641374157
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Energy: 1.3503712641374157
Energy: 1.1219889085371355
Energy: 1.3503712641374157
Energy: 1.109527351059007
Energy: 1.221563297809582
Energy: 1.1095273510565429
Energy: 1.2215632978076107
Energy: 1.1095273510570356
Energy: 1.221563297807118
Energy: 0.9671543425013454
Energy: 0.9880760446044021
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Energy: 0.9880760446048951
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Energy: 0.9880760446039094
Energy: 0.8873476598121075
Energy: 0.8561964880414202
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Energy: 0.8561964880404346
Energy: 0.8873476598116148
Energy: 0.8561964880409275
Energy: 0.8872808924661159
Energy: 0.8564172572100228
Energy: 0.8872808924666088
Energy: 0.8564172572134725
Energy: 0.8872808924671015
Energy: 0.8564172572115014
Energy: 0.9673117346335336
Energy: 0.989162836559908
Energy: 0.9673117346335336
Energy: 0.989162836559908
Energy: 0.9673117346330409
Energy: 0.9891628365604009
Energy: 1.1093427838449406
Energy: 1.222046361072639
Energy: 1.1093427838444476
Energy: 1.2220463610721461
Energy: 1.1093427838444476
Energy: 1.2220463610755958
Energy: 1.1240565150574158
Energy: 1.2832929795799688
Energy: 1.1240565150603727
Energy: 1.2832929795779975
Energy: 1.1240565150579087
Energy: 1.2832929795779975
Energy: 0.8493778068512443
Energy: 0.9696939507792437
Energy: 0.8493778068512443
Energy: 0.9696939507802294
Energy: 0.849377806851737
Energy: 0.9696939507802294
Energy: 1.112942791339163
Energy: 1.1305215136054965
Energy: 1.1129427913386702
Energy: 1.1305215136050035
Energy: 1.1129427913396557
Energy: 1.1305215136054965
Energy: 1.0197999359419916
Energy: 0.8907227093848383
Energy: 1.0197999359414989
Energy: 0.8907227093848383
Energy: 1.0197999359444556
Energy: 0.890722709385824
Energy: 1.1208075666848583
Energy: 0.8521554725371526
Energy: 1.1208075666848583
Energy: 0.8521554725361672
Energy: 1.1208075666848583
Energy: 0.8521554725371526
Energy: 1.1125325549892238
Energy: 1.1216513134266348
Energy: 1.1125325549892238
Energy: 1.1216513134256492
Energy: 1.112532554988731
Energy: 1.1216513134236779
Energy: 0.8950986809797016
Energy: 0.98826231722238
Energy: 0.8950986809787161
Energy: 0.9882623172209016
Energy: 0.8950986809797016
Energy: 0.9882623172209016
Energy: 0.8867665411985711
Energy: 1.1156842652071397
Energy: 0.8867665411995568
Energy: 1.115684265206647
Energy: 0.8867665411985711
Energy: 1.115684265206647
Energy: 0.8878131134405824
Energy: 0.8560093453383951
Energy: 0.8878131134405824
Energy: 0.8560093453388881
Energy: 0.8878131134405824
Energy: 0.8560093453383951
Energy: 1.0231531086987333
Energy: 1.5701329246527898
Energy: 1.0231531086982404
Energy: 1.5701329246518043
Energy: 1.023153108696762
Energy: 1.5701329246518043
Energy: 1.4121846905552728
Energy: 1.3374234879534068
Energy: 1.4121846905552728
Energy: 1.3374234879538995
Energy: 1.4121846905547801
Energy: 1.3374234879538995
Energy: 1.0193011119008593
Energy: 1.0403486649430986
Energy: 1.0193011118998736
Energy: 1.0403486649430986
Energy: 1.0193011119013522
Energy: 1.0403486649426057
Energy: 0.8573416105910593
Energy: 0.8871036399716914
Energy: 0.8573416105905666
Energy: 0.8871036399711987
Energy: 0.8573416105915521
Energy: 0.8871036399716914

minimum gb energy = 0.84937054893347 eV
minimum distance =  2.34835687765641 Angstroms
sigma value = 43


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

Energy: 1.5202475992306923
Energy: 1.0259070985613092
Energy: 1.5202475992306923
Energy: 1.0259070985613092
Energy: 1.5202475992306923
Energy: 1.0259070985613092
Energy: 1.049898192105792
Energy: 0.9461622782796344
Energy: 1.049898192105792
Energy: 0.9461622782802398
Energy: 1.049898192105792
Energy: 0.9461622782796344
Energy: 1.1955300737385561
Energy: 1.2749699847109115
Energy: 1.1035527804291547
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Energy: 1.05871359850927
Energy: 1.0064668982433596
Energy: 1.0587135985098755
Energy: 1.006466898243965
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Energy: 1.0064668982433596
Energy: 1.0762515721663102
Energy: 1.073752800139217
Energy: 1.0762515721669157
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Energy: 1.0762515721663102
Energy: 1.073752800139217
Energy: 0.9838201857930782
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Energy: 0.9838201857900516
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Energy: 0.9838201857864195
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Energy: 1.1371008225617791
Energy: 0.9901311203070476
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Energy: 0.9901311203106796
Energy: 1.1371008225611738
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Energy: 0.9200365535907146
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Energy: 0.9200365535901092
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Energy: 0.9200365535907146
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Energy: 1.000587079073304
Energy: 1.2183513071248024
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Energy: 1.2183513071266183
Energy: 1.2724671729566566
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Energy: 1.0588316785203113
Energy: 0.9872221718023673
Energy: 1.2759577755710838
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Energy: 0.9872221718023673
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Energy: 1.1232365057508504
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Energy: 1.1232365057514557
Energy: 1.0749157619724612
Energy: 0.9161466100752983
Energy: 1.2054001379774444
Energy: 0.9161466100752983
Energy: 1.205400137976234
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Energy: 1.2054001379774444
Energy: 1.1465520080448925
Energy: 1.069498524714412
Energy: 1.146552008045498
Energy: 1.0694985247132014
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Energy: 1.069498524713807
Energy: 1.0218243331147026
Energy: 1.1170604510189728
Energy: 1.021824333115308
Energy: 1.1170604510189728
Energy: 1.021824333115308
Energy: 1.1170604510183673
Energy: 1.1643826665474855
Energy: 0.9465054564435486
Energy: 1.1643826665474855
Energy: 0.9465054564435486
Energy: 1.1643826665474855
Energy: 0.9465054564435486
Energy: 1.263822279334599
Energy: 1.0180958817793684
Energy: 1.263822279334599
Energy: 1.0180958817793684
Energy: 1.263822279334599
Energy: 1.0180958817811843
Energy: 1.2106905005811432
Energy: 0.971065711055052
Energy: 1.2106905005811432
Energy: 0.971065711055052
Energy: 1.2106905005811432
Energy: 0.9710657110556574
Energy: 1.158450704785052
Energy: 0.948113375118055
Energy: 1.158450704785052
Energy: 0.9481133751186606
Energy: 1.158450704785052
Energy: 0.9481133751174499
Energy: 1.0341295739202956
Energy: 1.0498292849493343
Energy: 1.0341295739209009
Energy: 1.049829284948729
Energy: 1.0341295739209009
Energy: 1.0498292849499398
Energy: 1.216951639222737
Energy: 1.0986881252899712
Energy: 1.2169516392221318
Energy: 1.0986881252899712
Energy: 1.216951639222737
Energy: 1.0986881252899712
Energy: 0.9224992781853816
Energy: 1.1153081004889123
Energy: 0.9224992781853816
Energy: 1.1153081004889123
Energy: 0.9224992781853816
Energy: 1.1153081004895176
Energy: 1.1232457630090342
Energy: 1.0754092583451924
Energy: 1.1232457630096397
Energy: 1.0754092582865027
Energy: 1.1232457630096397
Energy: 1.0754092583325077
Energy: 0.9892557023864749
Energy: 0.9953862376834731
Energy: 0.9892557023876855
Energy: 0.9953862376828679
Energy: 0.9892557023864749
Energy: 0.9953862376828679
Energy: 1.2170501000064933
Energy: 1.1093822156388553
Energy: 1.2170501000064933
Energy: 1.1093822156382498
Energy: 1.217050100005888
Energy: 1.1093822156388553
Energy: 1.0005241497872437
Energy: 1.0760439590776525
Energy: 1.0005241497866386
Energy: 1.076043959076442
Energy: 1.0005241497872437
Energy: 1.0760439590770474
Energy: 1.0941924512139025
Energy: 0.9211482893093147
Energy: 1.0941924512139025
Energy: 0.9211482893093147
Energy: 1.0941924512132974
Energy: 0.9211482893087094
Energy: 0.9882693861752276
Energy: 1.137258254560531
Energy: 0.9882693861746223
Energy: 1.137258254560531
Energy: 0.988269386175833
Energy: 1.137258254559926
Energy: 1.0845645084750983
Energy: 1.1296721524241513
Energy: 1.0845645084750983
Energy: 1.1296721524241513
Energy: 1.0845645084750983
Energy: 1.1296721524247566
Energy: 1.1356486179212255
Energy: 1.0133277039421682
Energy: 1.1356486179212255
Energy: 1.0133277039421682
Energy: 1.1356486179206475
Energy: 1.0133277039421682

minimum gb energy = 0.9161466100752983 eV
minimum distance =  2.29470819849738 Angstroms
sigma value = 57


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

Energy: 1.4351430059707126
Energy: 0.9815351466774996
Energy: 1.4351430059707126
Energy: 0.9815351466774996
Energy: 1.4351430059707126
Energy: 0.9815351466774996
Energy: 1.0645755265631307
Energy: 0.9158649755136582
Energy: 1.0645755265639147
Energy: 0.915864975514442
Energy: 1.0645755265631307
Energy: 0.9158649755136582
Energy: 1.1074587612832003
Energy: 1.2299577738278624
Energy: 1.1074587612832003
Energy: 1.2299577738278624
Energy: 1.1074587612832003
Energy: 1.2299577738270786
Energy: 1.4819842347913241
Energy: 1.108873279456801
Energy: 1.4819842347913241
Energy: 1.1088732794560174
Energy: 1.4819842347913241
Energy: 1.108873279456801
Energy: 1.485818888875524
Energy: 1.1537032526666497
Energy: 1.485818888875524
Energy: 1.1537032526690012
Energy: 1.485818888875524
Energy: 1.1537032526674336
Energy: 1.0320994373529826
Energy: 1.0682125493151646
Energy: 1.03209943735455
Energy: 1.0682125493151646
Energy: 1.0320994373529826
Energy: 1.0682125493151646
Energy: 1.071861914691604
Energy: 1.1642115473338555
Energy: 1.0718619146939556
Energy: 1.1642115473330716
Energy: 1.0718619146923878
Energy: 1.1642115473322878
Energy: 1.2519174251392358
Energy: 1.1344472948876472
Energy: 1.2519174251392358
Energy: 1.1344472948876472
Energy: 1.251917425138452
Energy: 1.1344472948876472
Energy: 1.3154681787474944
Energy: 0.9153353038735448
Energy: 1.3154681787474944
Energy: 0.9153353038719773
Energy: 1.3154681787474944
Energy: 0.9153353038735448
Energy: 0.9070216760813486
Energy: 1.0688571164279197
Energy: 0.9070216760813486
Energy: 1.0688571164279197
Energy: 0.9070216760813486
Energy: 1.0688571164279197
Energy: 1.0727507027827203
Energy: 1.1071988941313415
Energy: 1.0727507027827203
Energy: 1.1071988941305577
Energy: 1.0727507027827203
Energy: 1.1071988941305577
Energy: 1.2418871561342149
Energy: 1.3255290737115042
Energy: 1.2418871561342149
Energy: 1.325529073712288
Energy: 1.2418871561349987
Energy: 1.325529073712288
Energy: 1.1599462476523539
Energy: 0.9155841674042768
Energy: 1.1599462476531377
Energy: 0.9155841674042768
Energy: 1.1599462476531377
Energy: 0.915584167403493
Energy: 1.2269785084280007
Energy: 0.926264095806975
Energy: 1.2269785084280007
Energy: 0.9262640958077586
Energy: 1.2269785084280007
Energy: 0.9262640958077586
Energy: 1.0523565253265086
Energy: 1.1291463065465288
Energy: 1.0523565253249412
Energy: 1.1291463065473124
Energy: 1.0523565253241571
Energy: 1.1291463065473124
Energy: 0.9512400042494202
Energy: 1.3344733209409982
Energy: 0.9512400042494202
Energy: 1.3344733209409982
Energy: 0.9512400042494202
Energy: 1.3344733209409982
Energy: 0.9214196941659492
Energy: 1.0646165644363559
Energy: 0.9214196941667331
Energy: 1.0646165644363559
Energy: 0.9214196941667331
Energy: 1.0646165644363559
Energy: 1.1355499813490766
Energy: 1.106444039675874
Energy: 1.1355499813490766
Energy: 1.106444039675874
Energy: 1.1355499813490766
Energy: 1.106444039675874
Energy: 0.9214043575691258
Energy: 1.064578338312367
Energy: 0.9214043575691258
Energy: 1.064578338312367
Energy: 0.9214043575699097
Energy: 1.0645783383139347
Energy: 0.951287258325433
Energy: 1.3344192566722437
Energy: 0.951287258325433
Energy: 1.3344192566714599
Energy: 0.951287258325433
Energy: 1.3344192566722437
Energy: 1.0553543356433153
Energy: 1.1291945813573379
Energy: 1.055354335644099
Energy: 1.1291945813573379
Energy: 1.0553543356433153
Energy: 1.1291945813573379
Energy: 1.2272596777369242
Energy: 0.9494259026414368
Energy: 1.2272596777369242
Energy: 0.9494259026414368
Energy: 1.2272596777369242
Energy: 0.9494259026398693
Energy: 1.1598333159373337
Energy: 0.9153490695290321
Energy: 1.1598333159381176
Energy: 0.9153490695274644
Energy: 1.1598333159381176
Energy: 0.9153490695290321
Energy: 1.2416627781063774
Energy: 1.325717072231954
Energy: 1.2416627781063774
Energy: 1.325717072231954
Energy: 1.2416627781063774
Energy: 1.325717072231954

minimum gb energy = 0.9070216760813486 eV
minimum distance =  2.25961200756823 Angstroms
sigma value = 17


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

Energy: 1.0866280798356012
Energy: 0.9444068998766042
Energy: 1.086628079834493
Energy: 0.9444068998766042
Energy: 1.0866280798356012
Energy: 0.9444068998766042
Energy: 0.9006408513766633
Energy: 0.8844454581490635
Energy: 0.9006408513777717
Energy: 0.8844454581501721
Energy: 0.9006408513766633
Energy: 0.8844454581501721
Energy: 1.070799634360933
Energy: 1.0652294368342534
Energy: 1.070799634360933
Energy: 1.0652294368342534
Energy: 1.070799634360933
Energy: 1.0652294368342534
Energy: 0.8372065055271887
Energy: 1.1018315745007663
Energy: 0.8372065055271887
Energy: 1.1018315745007663
Energy: 0.8372065055271887
Energy: 1.1018315745018747
Energy: 1.0779347838898885
Energy: 1.0448462276777668
Energy: 1.07793478388878
Energy: 1.0448462276777668
Energy: 1.07793478388878
Energy: 1.0448462276777668
Energy: 1.003755367857958
Energy: 1.0549977955158425
Energy: 1.003755367857958
Energy: 1.0549977955158425
Energy: 1.003755367857958
Energy: 1.0549977955158425
Energy: 1.0075993172509958
Energy: 1.1009315322558226
Energy: 1.0075993172509958
Energy: 1.1009315322558226
Energy: 1.0075993172509958
Energy: 1.1009315322558226
Energy: 0.8370635535288438
Energy: 1.0708209190012437
Energy: 0.8370635535299522
Energy: 1.0708209190012437
Energy: 0.8370635535288438
Energy: 1.0708209190012437
Energy: 1.061653027788909
Energy: 0.884323980021875
Energy: 1.061653027788909
Energy: 0.884323980021875
Energy: 1.061653027788909
Energy: 0.884323980021875
Energy: 0.948996674150026
Energy: 0.9027417495207056
Energy: 0.948996674150026
Energy: 0.9027417495207056
Energy: 0.948996674150026
Energy: 0.9027417495207056
Energy: 0.9470472254527711
Energy: 1.087244190258055
Energy: 0.9470472254527711
Energy: 1.087244190258055
Energy: 0.9470472254527711
Energy: 1.087244190258055
Energy: 1.0375407792463922
Energy: 1.0237091959581308
Energy: 1.0375407792463922
Energy: 1.0237091959581308
Energy: 1.0375407792463922
Energy: 1.0237091959581308
Energy: 0.8371160422155428
Energy: 1.052486138661788
Energy: 0.8371160422155428
Energy: 1.052486138661788
Energy: 0.8371160422155428
Energy: 1.052486138661788
Energy: 0.9650795390397173
Energy: 1.0806129671322402
Energy: 0.9650795390397173
Energy: 1.0806129671322402
Energy: 0.9650795390397173
Energy: 1.0806129671322402
Energy: 1.0041181232957894
Energy: 1.26299185728778
Energy: 1.0041181232957894
Energy: 1.26299185728778
Energy: 1.0041181232957894
Energy: 1.26299185728778
Energy: 1.0027603807210408
Energy: 1.3055290405806863
Energy: 1.0027603807199321
Energy: 1.3055290405795776
Energy: 1.0027603807210408
Energy: 1.3055290405795776
Energy: 0.9627145679053459
Energy: 1.1034015688521843
Energy: 0.9627145679053459
Energy: 1.1034015688521843
Energy: 0.9627145679042375
Energy: 1.1034015688521843

minimum gb energy = 0.8370635535288438 eV
minimum distance =  2.2954337732029 Angstroms
sigma value = 17


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

Energy: 0.9733296449607045
Energy: 0.8564052723243969
Energy: 0.9733296449611326
Energy: 0.8564052723243969
Energy: 0.9733296449607045
Energy: 0.8564052723243969
Energy: 1.0366030975433635
Energy: 0.8959615266760449
Energy: 1.0366030975429357
Energy: 0.895961526675617
Energy: 1.0366030975429357
Energy: 0.8959615266760449
Energy: 0.9805718825159466
Energy: 0.9088278002881016
Energy: 0.9805718825159466
Energy: 0.9088278002885297
Energy: 0.9805718825159466
Energy: 0.9088278002889576
Energy: 1.1555592630023852
Energy: 0.935492778845172
Energy: 1.1555592630023852
Energy: 0.9354927788456001
Energy: 1.155559263001957
Energy: 0.9354927788456001
Energy: 1.2879101809104
Energy: 0.9984613435523073
Energy: 1.2879101809104
Energy: 0.9984613435544476
Energy: 1.2879101809104
Energy: 0.998461343549311
Energy: 0.9781245648961321
Energy: 0.8310602474591043
Energy: 0.978124564895704
Energy: 0.8310602474591043
Energy: 0.9781245648961321
Energy: 0.83106024745782
Energy: 1.0230905074578236
Energy: 0.888929216839085
Energy: 1.0230905074578236
Energy: 0.888929216839085
Energy: 1.0230905074582515
Energy: 0.888929216838657
Energy: 1.1503487504545562
Energy: 1.1377965648853885
Energy: 1.1503487504545562
Energy: 1.1377965648849606
Energy: 1.1503487504549843
Energy: 1.1377965648853885
Energy: 1.106862950527249
Energy: 0.9143222969693248
Energy: 1.1068629505276766
Energy: 0.9143222969936837
Energy: 1.106862950527249
Energy: 0.9143222969889755
Energy: 0.866808837288676
Energy: 0.7741559579449394
Energy: 0.8668088372882479
Energy: 0.7741559579449394
Energy: 0.8668088372903879
Energy: 0.7741559579449394
Energy: 1.1376794859389756
Energy: 1.1054563508211657
Energy: 1.137679485939404
Energy: 1.1054563508220214
Energy: 1.137679485939404
Energy: 1.1054563508228774
Energy: 0.9921518328047857
Energy: 0.9135754856252467
Energy: 0.9921518328039297
Energy: 0.9135754856261028
Energy: 0.9921518328047857
Energy: 0.9135754856209665
Energy: 0.8645121619007825
Energy: 0.8814734076213748
Energy: 0.8645121619012106
Energy: 0.8814734076205187
Energy: 0.8645121619003545
Energy: 0.8814734076200907
Energy: 0.8793431709111776
Energy: 0.9892585745430277
Energy: 0.8793431709103215
Energy: 0.9892585745430277
Energy: 0.8793431709111776
Energy: 0.9892585745425997
Energy: 0.9499194658101887
Energy: 1.192623419833907
Energy: 0.9499194658550933
Energy: 1.1926234198334793
Energy: 0.9499194658226018
Energy: 1.1926234198334793
Energy: 0.7847943683839745
Energy: 1.1007795481172669
Energy: 0.7847943683861147
Energy: 1.0494216472530298
Energy: 0.7847943683848305
Energy: 1.0494216472534577
Energy: 0.877398569298791
Energy: 0.9374958065354492
Energy: 0.8773985692992191
Energy: 0.9374958065345931
Energy: 0.877398569298791
Energy: 0.9374958065337371
Energy: 0.9705482654605736
Energy: 1.1591438409442192
Energy: 0.9705482654605736
Energy: 1.1591438409437915
Energy: 0.9705482654601454
Energy: 1.1591438409437915
Energy: 0.9067397725018295
Energy: 1.2990946511472163
Energy: 0.9067397725018295
Energy: 1.2990946511472163
Energy: 0.9067397725022577
Energy: 1.2990946511472163
Energy: 0.8760281073731959
Energy: 0.8973422241685897
Energy: 0.8760281073727679
Energy: 0.8973422241681616
Energy: 0.8760281073727679
Energy: 0.8973422241685897
Energy: 0.9067514294537138
Energy: 1.299156604271084
Energy: 0.9067514294537138
Energy: 1.2991566042715121
Energy: 0.9067514294537138
Energy: 1.2991566042715121
Energy: 0.9702788895869792
Energy: 1.159441147907024
Energy: 0.970278889587407
Energy: 1.159441147906596
Energy: 0.9702788895869792
Energy: 1.159441147907024
Energy: 0.8772975348929217
Energy: 0.9373271247235788
Energy: 0.8772975348929217
Energy: 0.9373271247240067
Energy: 0.8772975348924936
Energy: 0.9373271247240067
Energy: 0.7847197339107409
Energy: 1.137540387219477
Energy: 0.7847197339094568
Energy: 1.1375403872199046
Energy: 0.7847197339115969
Energy: 1.1375403872199046
Energy: 0.9488342226067564
Energy: 1.1926717956476038
Energy: 0.9488342226067564
Energy: 1.1926717956471757
Energy: 0.9488342226046161
Energy: 1.1926717956471757
Energy: 0.8795710642587885
Energy: 0.9890758558153412
Energy: 0.8795710642583605
Energy: 0.9890758558153412
Energy: 0.8795710642583605
Energy: 0.9890758558153412
Energy: 0.8635895953691396
Energy: 0.8815178525075736
Energy: 0.8635895953695677
Energy: 0.8815178525080015
Energy: 0.8635895953657154
Energy: 0.8815178525071455
Energy: 0.9925435652735396
Energy: 0.914750549857782
Energy: 0.9925435652739677
Energy: 0.9147505498569259
Energy: 0.9925435652735396
Energy: 0.9147505498586381
Energy: 1.1378762398261388
Energy: 1.1052359698182173
Energy: 1.1378762398261388
Energy: 1.1052359698182173
Energy: 1.137876239826567
Energy: 1.1052359698186456
Energy: 0.8669277314516605
Energy: 0.9212627617931972
Energy: 0.8669277314538005
Energy: 0.9212627617931972
Energy: 0.8669277314525164
Energy: 0.9212627617931972
Energy: 1.1070359268328411
Energy: 0.9136057259561938
Energy: 1.1070359268332688
Energy: 0.9136057259561938
Energy: 1.1070359268341252
Energy: 0.9136057259553378
Energy: 1.1503752427843568
Energy: 1.1376862159127292
Energy: 1.1503752427843568
Energy: 1.1376862159127292
Energy: 1.1503752427847844
Energy: 1.1376862159123013
Energy: 1.0228252846276462
Energy: 0.888954938909348
Energy: 1.0228252846285022
Energy: 0.8889549389097761
Energy: 1.0228252846285022
Energy: 0.888954938909348
Energy: 0.9779097738156586
Energy: 0.836860534785468
Energy: 0.9779097738152304
Energy: 0.8368605347863242
Energy: 0.9779097738156586
Energy: 0.836860534785468
Energy: 1.2878222528015284
Energy: 0.999018517517999
Energy: 1.2878222528011005
Energy: 0.999018517517999
Energy: 1.2878222528015284
Energy: 0.999018517517999
Energy: 1.1552642308621475
Energy: 0.9351597925396533
Energy: 1.1552642308617194
Energy: 0.9351597925392252
Energy: 1.1552642308617194
Energy: 0.9351597925392252
Energy: 0.9804897339284807
Energy: 0.9089593982258429
Energy: 0.9804897339289088
Energy: 0.9089593982258429
Energy: 0.9804897339289088
Energy: 0.9089593982262708
Energy: 1.0374543044924973
Energy: 0.8363575379081789
Energy: 1.0374543044929254
Energy: 0.8363575379077508
Energy: 1.0374543044924973
Energy: 0.8363575379077508
Energy: 0.9733296449598484
Energy: 0.8564052723252529
Energy: 0.9733296449607045
Energy: 0.856405272324825
Energy: 0.9733296449598484
Energy: 0.856405272324825
Energy: 1.0366030975420797
Energy: 0.8302408788185484
Energy: 1.0366030975412235
Energy: 0.8302408788185484
Energy: 1.0366030975420797
Energy: 0.8302408788185484
Energy: 0.9805718825138066
Energy: 0.9088278002876736
Energy: 0.9805718825138066
Energy: 0.9088278002881016
Energy: 0.9805718825138066
Energy: 0.9088278002881016
Energy: 1.1555592630049536
Energy: 0.9609159401634332
Energy: 1.1555592630040972
Energy: 0.9609159401630051
Energy: 1.1555592630045253
Energy: 0.960915940162577
Energy: 1.287910180909972
Energy: 0.9984613435544476
Energy: 1.2879101809095441
Energy: 0.9984613435548755
Energy: 1.2879101809095441
Energy: 0.9984613435553036

minimum gb energy = 0.7741559579449394 eV
minimum distance =  2.24878051625061 Angstroms
sigma value = 57


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

Energy: 0.888856424886527
Energy: 0.7872654710163922
Energy: 0.888856424887921
Energy: 0.7872654710163922
Energy: 0.888856424887921
Energy: 0.7872654710156953
Energy: 0.9300533377999999
Energy: 0.7720983436578032
Energy: 0.9300533377999999
Energy: 0.7720983436557123
Energy: 0.9300533377993029
Energy: 0.7720983436585
Energy: 0.9264238308635409
Energy: 0.8407332040724285
Energy: 0.9264238308621469
Energy: 0.8407332040710346
Energy: 0.926423830862844
Energy: 0.8407332040717316
Energy: 1.0757529080161363
Energy: 0.8837583484382349
Energy: 1.07575290801753
Energy: 0.8837583484382349
Energy: 1.0757529080168333
Energy: 0.8837583484389319
Energy: 1.1398129168996602
Energy: 0.7642504340570186
Energy: 1.1398129168996602
Energy: 0.7642504340563216
Energy: 1.1398129168996602
Energy: 0.7642504340570186
Energy: 0.9302880218321798
Energy: 0.770977618838618
Energy: 0.930288021830089
Energy: 0.770977618839315
Energy: 0.930288021831483
Energy: 0.7709776188379212
Energy: 1.0739221836012212
Energy: 1.0107197472137843
Energy: 1.073922183600524
Energy: 1.0107197472109966
Energy: 1.0739221835998272
Energy: 1.0107197472123903
Energy: 1.0454941591255933
Energy: 1.0811979085147978
Energy: 1.045494159126987
Energy: 1.0811979085141008
Energy: 1.045494159126987
Energy: 1.0811979085141008
Energy: 0.9338305728046069
Energy: 0.7736593745043286
Energy: 0.9338305728046069
Energy: 0.7736593745036316
Energy: 0.9338305728046069
Energy: 0.7736593745043286
Energy: 0.9308864055387924
Energy: 0.816969206842974
Energy: 0.9308864055387924
Energy: 0.816969206842277
Energy: 0.9308864055394893
Energy: 0.816969206842277
Energy: 1.0479794376119103
Energy: 1.0449823600172232
Energy: 1.0479794376126073
Energy: 1.0449823600172232
Energy: 1.0479794376119103
Energy: 1.0449823600172232
Energy: 0.8444996372789332
Energy: 1.084005735679141
Energy: 0.8444996372782364
Energy: 1.084005735679141
Energy: 0.8444996372782364
Energy: 1.084005735679141
Energy: 0.9311194105547084
Energy: 0.9114252936561049
Energy: 0.9311194105554053
Energy: 0.911425293656802
Energy: 0.9311194105554053
Energy: 0.9114252936561049
Energy: 0.9309715843933902
Energy: 0.9622429213415524
Energy: 0.9309715843919963
Energy: 0.9622429213415524
Energy: 0.9309715843926935
Energy: 0.9622429213415524
Energy: 0.9088266985525277
Energy: 1.0989126624166448
Energy: 0.9088266985525277
Energy: 1.098912662415948
Energy: 0.9088266985532245
Energy: 1.098912662415948
Energy: 0.962610267278889
Energy: 0.9559297077945824
Energy: 0.962610267278889
Energy: 0.9559297077945824
Energy: 0.962610267278889
Energy: 0.9559297077938853
Energy: 0.8092159271036162
Energy: 0.9304070500164198
Energy: 0.8092159271036162
Energy: 0.9304070500164198
Energy: 0.8092159271036162
Energy: 0.9304070500171165
Energy: 1.0011635552901643
Energy: 1.110086246104669
Energy: 1.0011635552894673
Energy: 1.110086246104669
Energy: 1.0011635552887703
Energy: 1.110086246104669
Energy: 0.7408862609190009
Energy: 0.982043778468031
Energy: 0.740886260918304
Energy: 0.9820437784673341
Energy: 0.7408862609155162
Energy: 0.982043778468031
Energy: 0.936009363499363
Energy: 0.9031688183866836
Energy: 0.9360093635000599
Energy: 0.9031688183866836
Energy: 0.9360093635000599
Energy: 0.9031688183866836
Energy: 1.0267011234612433
Energy: 1.0760852918355077
Energy: 1.0267011234612433
Energy: 1.0760852918362047
Energy: 1.0267011234612433
Energy: 1.0760852918355077
Energy: 0.7285646884180447
Energy: 0.9854257959638909
Energy: 0.7285646884187416
Energy: 0.9854257959638909
Energy: 0.7285646884180447
Energy: 0.9854257959638909
Energy: 0.8087611687118469
Energy: 0.8462950502490915
Energy: 0.8087611687125437
Energy: 0.8462950502490915
Energy: 0.8087611687118469
Energy: 0.8462950502490915
Energy: 0.8309854397818148
Energy: 1.215191862863251
Energy: 0.8309854397825119
Energy: 1.215191862863251
Energy: 0.8309854397825119
Energy: 1.215191862863251
Energy: 0.8305616649494079
Energy: 1.0776646774312084
Energy: 0.8305616649487108
Energy: 1.0776646774319054
Energy: 0.8305616649487108
Energy: 1.0776646774312084
Energy: 0.7873627742014828
Energy: 0.84525523205178
Energy: 0.7873627742021797
Energy: 0.8452552320524769
Energy: 0.7873627742035737
Energy: 0.84525523205178
Energy: 0.7292744933195864
Energy: 0.9819607434467106
Energy: 0.7292744933188894
Energy: 0.9819607434460136
Energy: 0.7292744933181926
Energy: 0.9819607434460136

minimum gb energy = 0.7285646884180447 eV
minimum distance =  2.25770971372362 Angstroms
sigma value = 43


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

Energy: 1.0380300057086256
Energy: 0.7132657223403776
Energy: 1.0380300057091334
Energy: 0.7132657223403776
Energy: 1.0380300057086256
Energy: 0.7132657223403776
Energy: 0.8050839901481339
Energy: 0.8511754504262661
Energy: 0.8050839901481339
Energy: 0.8511754504262661
Energy: 0.8050839901481339
Energy: 0.8511754504262661
Energy: 0.7887506473177002
Energy: 0.8512359291107146
Energy: 0.7887506473187157
Energy: 0.8512359291107146
Energy: 0.7887506473177002
Energy: 0.8512359291107146
Energy: 0.9783733182848082
Energy: 0.7611030190181297
Energy: 0.9783733182843004
Energy: 0.7611030190176219
Energy: 0.9783733182848082
Energy: 0.7611030190181297
Energy: 0.9498582960563673
Energy: 0.8080922893901195
Energy: 0.949858296056875
Energy: 0.8080922893896118
Energy: 0.949858296056875
Energy: 0.8080922893896118
Energy: 0.7778695604342288
Energy: 0.8039362370502127
Energy: 0.7778695604347368
Energy: 0.8039362370502127
Energy: 0.7778695604342288
Energy: 0.8039362370502127
Energy: 0.9132497181455018
Energy: 0.8434586642026287
Energy: 0.9132497181449941
Energy: 0.8434586642026287
Energy: 0.9132497181449941
Energy: 0.8434586642031364
Energy: 0.9931981813727275
Energy: 0.9077555137452789
Energy: 0.9931981813727275
Energy: 0.9077555137452789
Energy: 0.9931981813727275
Energy: 0.9077555137452789
Energy: 0.7576461457215442
Energy: 0.7933570139379222
Energy: 0.7576461457210364
Energy: 0.7933570139374144
Energy: 0.7576461457215442
Energy: 0.7933570139374144
Energy: 0.8093935359043375
Energy: 0.8118735657554813
Energy: 0.8093935359038297
Energy: 0.811873565755989
Energy: 0.8093935359043375
Energy: 0.811873565755989
Energy: 0.8926672696512556
Energy: 0.9050357899414868
Energy: 0.8926672696502401
Energy: 0.9050357899414868
Energy: 0.8926672696512556
Energy: 0.9050357899414868
Energy: 0.6728987443111272
Energy: 0.7926616130885091
Energy: 0.6728987443111272
Energy: 0.7926616130874935
Energy: 0.6728987443111272
Energy: 0.7926616130880013
Energy: 0.8088458513724571
Energy: 0.6654770148936593
Energy: 0.8088458513724571
Energy: 0.6654770148931515
Energy: 0.8088458513724571
Energy: 0.6654770148931515
Energy: 0.9211852036040341
Energy: 0.7698319177672686
Energy: 0.9211852036035264
Energy: 0.7698319177677764
Energy: 0.9211852036035264
Energy: 0.7698319177677764
Energy: 0.8049855826188302
Energy: 0.7925016326459748
Energy: 0.8049855826183224
Energy: 0.792501632645467
Energy: 0.8049855826183224
Energy: 0.7925016326449593
Energy: 0.8312901945228061
Energy: 0.7795052386007096
Energy: 0.8312901945238217
Energy: 0.7795052386012175
Energy: 0.8312901945228061
Energy: 0.7795052386012175
Energy: 0.9383589986578998
Energy: 0.8769806261052296
Energy: 0.9383589986573921
Energy: 0.8769806261052296
Energy: 0.9383589986573921
Energy: 0.8769806261057375
Energy: 0.7228083642998062
Energy: 0.7919502681934213
Energy: 0.7228083642987907
Energy: 0.7919502681934213
Energy: 0.7228083642992984
Energy: 0.7919502681929136
Energy: 0.806879034326567
Energy: 0.7882206591164518
Energy: 0.8068790343270749
Energy: 0.7882206591169596
Energy: 0.8068790343260593
Energy: 0.7882206591164518
Energy: 0.9716869015772056
Energy: 0.9374300533864001
Energy: 0.9716869015777135
Energy: 0.9374300533858924
Energy: 0.9716869015772056
Energy: 0.9374300533858924
Energy: 0.7811196447058489
Energy: 0.945198920403553
Energy: 0.7811196447058489
Energy: 0.9451989204030453
Energy: 0.7811196447058489
Energy: 0.9451989204025375
Energy: 0.8601442588466264
Energy: 0.8218926665053393
Energy: 0.8601442588461187
Energy: 0.8218926665053393
Energy: 0.8601442588466264
Energy: 0.8218926665053393
Energy: 0.858377604345159
Energy: 0.7957118088174993
Energy: 0.8583776043456667
Energy: 0.7957118088169913
Energy: 0.8583776043461746
Energy: 0.7957118088174993
Energy: 0.8502472252158323
Energy: 0.9451893415516637
Energy: 0.8502472252163403
Energy: 0.9451893415516637
Energy: 0.8502472252158323
Energy: 0.945189341551156
Energy: 0.8086082258364206
Energy: 0.7825003197755844
Energy: 0.8086082258364206
Energy: 0.7825003197760922
Energy: 0.8086082258364206
Energy: 0.7825003197760922
Energy: 0.8072745721470402
Energy: 0.7596801323557113
Energy: 0.8072745721470402
Energy: 0.7596801323557113
Energy: 0.8072745721475482
Energy: 0.7596801323557113
Energy: 0.7457627229625514
Energy: 0.9395390380081293
Energy: 0.7457627229625514
Energy: 0.9395390380076216
Energy: 0.7546991865729904
Energy: 0.9395390380081293
Energy: 0.7765647145661945
Energy: 0.7764271860769583
Energy: 0.7765647145661945
Energy: 0.7764271860779739
Energy: 0.7765647145661945
Energy: 0.7764271860779739
Energy: 0.7874790688329232
Energy: 0.7254391977868588
Energy: 0.7874790688333849
Energy: 0.7254391977868588
Energy: 0.7874790688324155
Energy: 0.7254391977868588
Energy: 0.8033935829023136
Energy: 1.0407472591003064
Energy: 0.8033935829023136
Energy: 1.0407472591008144
Energy: 0.8033935829023136
Energy: 1.0407472591003064
Energy: 0.7863894606076551
Energy: 0.9994064092112116
Energy: 0.7863894606081631
Energy: 0.9994064092112116
Energy: 0.7863894606076551
Energy: 0.9994064092112116
Energy: 0.7876835400693634
Energy: 0.6966988645484772
Energy: 0.7876835400688557
Energy: 0.6966988645484772
Energy: 0.7876835400683478
Energy: 0.6966988645484772
Energy: 0.6712135378478041
Energy: 0.7822738690676976
Energy: 0.6712135378478041
Energy: 0.7822738690671897
Energy: 0.6712135378478041
Energy: 0.7822738690676976
Energy: 0.914885965653369
Energy: 0.8848468720610185
Energy: 0.914885965653369
Energy: 0.8848468720610185
Energy: 0.914885965653369
Energy: 0.8848468720620339
Energy: 0.7864597694905813
Energy: 0.7756373844704798
Energy: 0.7864597694905813
Energy: 0.7756373844699721
Energy: 0.7864597694905813
Energy: 0.7756373844699721
Energy: 0.5997960842306436
Energy: 0.781158600162081
Energy: 0.599796084231659
Energy: 0.7811586001600499
Energy: 0.5997960842296279
Energy: 0.7811586001590344

minimum gb energy = 0.5997960842296279 eV
minimum distance =  2.2586190601221 Angstroms
sigma value = 81


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

Energy: -0.004608279952283635
Energy: 0.04858727130015817
Energy: -0.004608279952283635
Energy: 0.04858727130202393
Energy: -0.004608279952283635
Energy: 0.04858727130202393
Energy: 0.8628316059554639
Energy: -0.003368025911475127
Energy: 0.8628316059554639
Energy: -0.0033680259133408836
Energy: 0.8628316059554639
Energy: -0.003368025911475127
Energy: 0.8628306558643108
Energy: -0.0034894594183341246
Energy: 0.8628306558643108
Energy: -0.0034894594183341246
Energy: 0.8628306558643108
Energy: -0.0034894594183341246
Energy: -0.004608279952283635
Energy: 0.04858727130202393
Energy: -0.004608279952283635
Energy: 0.04858727130202393
Energy: -0.004608279952283635
Energy: 0.04858727130202393
Energy: 0.8628316059554639
Energy: -0.0033680259133408836
Energy: 0.8628316059554639
Energy: -0.003368025911475127
Energy: 0.8628316059554639
Energy: -0.003368025911475127
Energy: 0.8628306558643108
Energy: -0.0034894594183341246
Energy: 0.8628306558643108
Energy: -0.0034894594183341246
Energy: 0.8628306558643108
Energy: -0.0034894594201998813
Energy: -0.004608279952283635
Energy: 0.04858727130202393
Energy: -0.004608279952283635
Energy: 0.04858727130015817
Energy: -0.004608279952283635
Energy: 0.04858727130015817
Energy: 0.8628316059554639
Energy: -0.003368025911475127
Energy: 0.8628316059554639
Energy: -0.003368025911475127
Energy: 0.8628316059554639
Energy: -0.0033680259133408836
Energy: 0.8628306558643108
Energy: -0.0034894594183341246
Energy: 0.8628306558643108
Energy: -0.0034894594183341246
Energy: 0.8628306558643108
Energy: -0.0034894594183341246
Energy: -0.004608279952283635
Energy: 0.04858727130015817
Energy: -0.004608279952283635
Energy: 0.04858727130202393
Energy: -0.004608279952283635
Energy: 0.04858727130202393

minimum gb energy = -0.004608279952283635 eV
minimum distance =  2.46509328320186 Angstroms
sigma value = 3


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

Energy: 0.8315785137582363
Energy: 0.6626406672255971
Energy: 0.8315785137587947
Energy: 0.6626406672255971
Energy: 0.8315785137582363
Energy: 0.6626406672255971
Energy: 0.6745159431618993
Energy: 0.67178172791279
Energy: 0.6745159431618993
Energy: 0.6717817279133484
Energy: 0.6745159431618993
Energy: 0.67178172791279
Energy: 0.7027827734977844
Energy: 0.6757380919228685
Energy: 0.7027827734977844
Energy: 0.6757380919223102
Energy: 0.7027827734977844
Energy: 0.6757380919223102
Energy: 0.9329383881247957
Energy: 0.749829632425189
Energy: 0.9329383881247957
Energy: 0.749829632425189
Energy: 0.9329383881242372
Energy: 0.749829632425189
Energy: 0.5620820868325189
Energy: 0.8454062874940241
Energy: 0.5620820868325189
Energy: 0.8454062874934656
Energy: 0.5620820868319605
Energy: 0.8454062874945824
Energy: 0.7085769794948514
Energy: 0.6865844678434742
Energy: 0.708576979494293
Energy: 0.6865844678434742
Energy: 0.708576979494293
Energy: 0.6865844678429158
Energy: 0.7393202841310049
Energy: 0.7944926426604009
Energy: 0.7393202841310049
Energy: 0.7944926426604009
Energy: 0.7393202841310049
Energy: 0.7944926426604009
Energy: 0.5574125915714435
Energy: 0.7069021104988071
Energy: 0.557412591570327
Energy: 0.7069021104993654
Energy: 0.5574125915708852
Energy: 0.7069021104988071
Energy: 0.7228519337990692
Energy: 0.7354949563735192
Energy: 0.7228519337990692
Energy: 0.7354949563735192
Energy: 0.7228519337985111
Energy: 0.7354949563735192
Energy: 0.7481998696697942
Energy: 0.624334347067231
Energy: 0.7481998696697942
Energy: 0.624334347067231
Energy: 0.7481998696703525
Energy: 0.624334347067231
Energy: 0.6221709810554179
Energy: 0.7077123935336835
Energy: 0.6221709810543012
Energy: 0.7077123935336835
Energy: 0.6221709810554179
Energy: 0.7077123935336835
Energy: 0.720328957625258
Energy: 0.757131615949001
Energy: 0.720328957625258
Energy: 0.757131615949001
Energy: 0.720328957625258
Energy: 0.757131615949001
Energy: 0.67241476186551
Energy: 0.5731470711964282
Energy: 0.67241476186551
Energy: 0.5731470711964282
Energy: 0.67241476186551
Energy: 0.5731470711969865
Energy: 0.6680533463710739
Energy: 0.7478338222981507
Energy: 0.6680533463710739
Energy: 0.7478338222981507
Energy: 0.6680533463710739
Energy: 0.7478338222975922
Energy: 0.6859123513239175
Energy: 0.7215747864211123
Energy: 0.6859123513244759
Energy: 0.7215747864205541
Energy: 0.6859123513239175
Energy: 0.7215747864205541
Energy: 0.6751153644387236
Energy: 0.5617249190059157
Energy: 0.6751153644392819
Energy: 0.5617249190059157
Energy: 0.6751153644392819
Energy: 0.5617249190059157
Energy: 0.6746554196741559
Energy: 0.7696098252674395
Energy: 0.6746554196741559
Energy: 0.7696098252679978
Energy: 0.6746554196741559
Energy: 0.7696098252674395
Energy: 0.6817810232854088
Energy: 0.6906791263861405
Energy: 0.6817810232842921
Energy: 0.6906791263866988
Energy: 0.6817810232854088
Energy: 0.6906791263866988
Energy: 0.6770349286522553
Energy: 0.8165008909246535
Energy: 0.6770349286516969
Energy: 0.8165008909240952
Energy: 0.6770349286511386
Energy: 0.8165008909246535
Energy: 0.6631052601953717
Energy: 0.8212748764493791
Energy: 0.6631052601953717
Energy: 0.8212748764488208
Energy: 0.6631052601953717
Energy: 0.8212748764488208
Energy: 0.7411911261068642
Energy: 0.669172850513554
Energy: 0.7411911261068642
Energy: 0.6691728505141125
Energy: 0.7411911261063059
Energy: 0.6691728505141125
Energy: 0.6184735755682705
Energy: 0.6641823218610625
Energy: 0.6184735755649206
Energy: 0.6641823218616209
Energy: 0.618473575567154
Energy: 0.6641823218616209
Energy: 0.684812770614065
Energy: 0.7985554328858533
Energy: 0.684812770614065
Energy: 0.7985554328864117
Energy: 0.6848127706129482
Energy: 0.7985554328864117
Energy: 0.8305624597151333
Energy: 0.6610896857934232
Energy: 0.8305624597151333
Energy: 0.6610896857923065
Energy: 0.8305624597151333
Energy: 0.6610896857928649
Energy: 0.7690883206302899
Energy: 0.6971926453336893
Energy: 0.7690883206302899
Energy: 0.6971926453342476
Energy: 0.7690883206302899
Energy: 0.6971926453336893
Energy: 0.658696541513545
Energy: 0.7631196535547689
Energy: 0.658696541513545
Energy: 0.7631196535547689
Energy: 0.658696541513545
Energy: 0.7631196535547689
Energy: 0.8245061114790525
Energy: 0.5542218040503057
Energy: 0.8245061114784942
Energy: 0.5542218040508641
Energy: 0.8245061114784942
Energy: 0.5542218040508641
Energy: 0.7392228944646458
Energy: 0.6972126178954346
Energy: 0.7392228944646458
Energy: 0.6972126178948763
Energy: 0.7392228944640875
Energy: 0.6972126178948763
Energy: 0.6359237540972789
Energy: 0.7246455866948717
Energy: 0.6359237540967205
Energy: 0.7246455866943132
Energy: 0.6359237540972789
Energy: 0.7246455866943132
Energy: 0.975486098508522
Energy: 0.7019380927184642
Energy: 0.975486098508522
Energy: 0.7019380927184642
Energy: 0.9754860985079636
Energy: 0.7019380927179059
Energy: 0.7515644516139709
Energy: 0.6928721057473016
Energy: 0.7515644516139709
Energy: 0.69287210574786
Energy: 0.7515644516139709
Energy: 0.69287210574786
Energy: 0.6224127535400139
Energy: 0.6851491138877005
Energy: 0.6224127535383389
Energy: 0.6851491138877005
Energy: 0.6224127535394556
Energy: 0.6851491138877005
Energy: 0.738940467578176
Energy: 0.8269928598234336
Energy: 0.738940467578176
Energy: 0.8269928598228752
Energy: 0.738940467578176
Energy: 0.8269928598228752

minimum gb energy = 0.5542218040503057 eV
minimum distance =  2.32907068515173 Angstroms
sigma value = 67


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

Energy: 0.9884523470892372
Energy: 0.8426881004349774
Energy: 0.9884523470892372
Energy: 0.8426881004349774
Energy: 0.9884523470892372
Energy: 0.8426881004349774
Energy: 0.8513539740478195
Energy: 0.9203569967656359
Energy: 0.851353974048615
Energy: 0.9203569967648404
Energy: 0.851353974048615
Energy: 0.9203569967648404
Energy: 0.9078142894377145
Energy: 0.967434826067214
Energy: 0.9078142894377145
Energy: 0.967434826067214
Energy: 0.9078142894377145
Energy: 0.9674348260680095
Energy: 0.9378157556729856
Energy: 0.851835283212202
Energy: 0.9378157556729856
Energy: 0.851835283212202
Energy: 0.9378157556729856
Energy: 0.851835283212202
Energy: 0.7454970909420378
Energy: 0.8428904225652337
Energy: 0.7454970909412424
Energy: 0.8428904225652337
Energy: 0.7454970909412424
Energy: 0.8428904225652337
Energy: 0.9082741341702215
Energy: 0.9071581226778375
Energy: 0.9082741341702215
Energy: 0.9071581226770419
Energy: 0.9082741341702215
Energy: 0.9071581226778375
Energy: 0.8550186509826093
Energy: 0.9525656353484845
Energy: 0.8550186509826093
Energy: 0.9525656353484845
Energy: 0.8550186509818138
Energy: 0.9525656353484845
Energy: 0.8247203828499069
Energy: 0.9297336962115972
Energy: 0.8247203828491114
Energy: 0.9297336962115972
Energy: 0.8247203828499069
Energy: 0.9297336962123927
Energy: 0.9320638172950572
Energy: 0.9568771901047515
Energy: 0.9320638172942615
Energy: 0.9568771901039559
Energy: 0.9320638172950572
Energy: 0.9568771901039559
Energy: 0.8995248924245056
Energy: 0.7699806147540712
Energy: 0.8995248924245056
Energy: 0.7699806147540712
Energy: 0.8995248924245056
Energy: 0.7699806147532756
Energy: 0.9162894384309311
Energy: 0.9173832850998105
Energy: 0.9162894384309311
Energy: 0.9173832850998105
Energy: 0.9162894384309311
Energy: 0.9173832850998105
Energy: 0.8991542917816857
Energy: 0.8900255290647295
Energy: 0.8991542917816857
Energy: 0.8900255290647295
Energy: 0.8991542917816857
Energy: 0.8900255290647295
Energy: 0.8795614186714882
Energy: 1.0091972871239445
Energy: 0.8795614186706926
Energy: 1.0091972871239445
Energy: 0.8795614186698971
Energy: 1.0091972871239445
Energy: 0.8716043560552128
Energy: 0.9487993826845341
Energy: 0.8716043560552128
Energy: 0.9487993826845341
Energy: 0.8716043560544171
Energy: 0.9487993826853295
Energy: 0.8692014655247028
Energy: 0.8495001070573552
Energy: 0.8692014655247028
Energy: 0.8495001070573552
Energy: 0.8692014655247028
Energy: 0.8495001070573552
Energy: 0.9745103490042761
Energy: 0.8585813010390166
Energy: 0.9745103490042761
Energy: 0.8585813010390166
Energy: 0.9745103490042761
Energy: 0.8585813010390166
Energy: 0.8778603296692467
Energy: 0.9401928394224804
Energy: 0.877860329670042
Energy: 0.940192839423276
Energy: 0.8778603296692467
Energy: 0.940192839423276
Energy: 0.8796337831870017
Energy: 0.836747408469806
Energy: 0.8796337831870017
Energy: 0.836747408469806
Energy: 0.8796337831870017
Energy: 0.836747408469806
Energy: 0.9257298487562291
Energy: 0.8981888553584049
Energy: 0.9257298487562291
Energy: 0.8981888553584049
Energy: 0.9257298487570248
Energy: 0.8981888553584049
Energy: 1.016367899800175
Energy: 0.9204186782311382
Energy: 1.016367899800175
Energy: 0.9204186782311382
Energy: 1.016367899800175
Energy: 0.9204186782311382
Energy: 1.0021073450158864
Energy: 0.8557701960022132
Energy: 1.0021073450150906
Energy: 0.8557701960022132
Energy: 1.0021073450158864
Energy: 0.8557701960022132
Energy: 0.9377691524275492
Energy: 0.9800038795739223
Energy: 0.9377691524275492
Energy: 0.980003879574718
Energy: 0.9377691524275492
Energy: 0.980003879574718
Energy: 0.8119563389647594
Energy: 0.9454988304217231
Energy: 0.8119563389655551
Energy: 0.9454988304209276
Energy: 0.8119563389655551
Energy: 0.9454988304217231

minimum gb energy = 0.7454970909412424 eV
minimum distance =  2.32194629876409 Angstroms
sigma value = 33


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

Energy: 1.097643567639147
Energy: 0.9497961008975282
Energy: 1.097643567639147
Energy: 0.9497961008975282
Energy: 1.097643567637633
Energy: 0.9497961008975282
Energy: 0.9604761777018685
Energy: 1.0318464701883665
Energy: 0.9604761777023731
Energy: 1.0318464701883665
Energy: 0.9604761777018685
Energy: 1.0318464701878618
Energy: 1.0208831879496487
Energy: 1.0200916761415535
Energy: 1.020883187949144
Energy: 1.0200916761415535
Energy: 1.0208831879501532
Energy: 1.0200916761420582
Energy: 1.04609032860995
Energy: 0.9534319390315286
Energy: 1.0460903286094454
Energy: 0.9534319390310237
Energy: 1.0460903286094454
Energy: 0.9534319390310237
Energy: 0.9762234200818054
Energy: 1.1060166236019378
Energy: 0.9762234200818054
Energy: 1.1060166236019378
Energy: 0.9762234200818054
Energy: 1.1060166236019378
Energy: 1.132484880695448
Energy: 1.0982105488734568
Energy: 1.132484880695448
Energy: 1.0918978650050564
Energy: 1.1324848806949432
Energy: 1.0918978650050564
Energy: 0.9643095590969
Energy: 0.9270312337737523
Energy: 0.9643095590958906
Energy: 0.9270312337732476
Energy: 0.9643095590969
Energy: 0.9270312337737523
Energy: 1.0435623926200674
Energy: 1.0372512891830563
Energy: 1.0435623926205722
Energy: 1.0372512891830563
Energy: 1.0435623926210769
Energy: 1.0372512891830563
Energy: 1.0166356941714274
Energy: 1.0318218608099878
Energy: 1.0166356941714274
Energy: 1.0318218608099878
Energy: 1.0166356941719321
Energy: 1.0318218608099878
Energy: 1.0966873512823507
Energy: 1.1062822428751955
Energy: 1.0966873512813415
Energy: 1.0714898061156657
Energy: 1.0966873512823507
Energy: 1.0714898061161702
Energy: 1.0257470258038828
Energy: 1.0515755756977678
Energy: 1.025747025803378
Energy: 1.0515755756977678
Energy: 1.0257470258038828
Energy: 1.0515755756972631
Energy: 0.9607123436970323
Energy: 0.9673247186582802
Energy: 0.9607123436975369
Energy: 0.9673247186582802
Energy: 0.9607123436975369
Energy: 0.9673247186582802
Energy: 1.0943034441980508
Energy: 0.9756347257963911
Energy: 1.0943034441980508
Energy: 0.9756347257963911
Energy: 1.0943034441980508
Energy: 0.9756347257968957
Energy: 0.9689460666069283
Energy: 1.0426801454373273
Energy: 0.968946066607433
Energy: 1.0426801454373273
Energy: 0.9689460666069283
Energy: 1.0426801454373273
Energy: 0.9997676861692006
Energy: 0.995212883352574
Energy: 0.9997676861692006
Energy: 0.995212883352574
Energy: 0.9997676861686959
Energy: 0.9952128833530327
Energy: 1.0457079358928019
Energy: 1.0431447106592713
Energy: 1.0457079358922972
Energy: 1.0431447106592713
Energy: 1.0457079358922972
Energy: 1.0431447106592713
Energy: 0.9625604592750451
Energy: 1.0196033465469834
Energy: 0.9625604592755497
Energy: 1.019603346547488
Energy: 0.9625604592770639
Energy: 1.019603346547488
Energy: 1.1740247274713684
Energy: 1.098914235696322
Energy: 1.1740247274713684
Energy: 1.098914235696322
Energy: 1.174024727470864
Energy: 1.098914235696322
Energy: 0.9590808977497439
Energy: 1.0660988315648174
Energy: 0.9590808977492393
Energy: 1.0660988315648174
Energy: 0.9590808977492393
Energy: 1.0660988315643127
Energy: 1.1095632113666987
Energy: 1.031301310564062
Energy: 1.1095632113666987
Energy: 1.031301310564567
Energy: 1.1095632113666987
Energy: 1.031301310564567
Energy: 1.0503039892176873
Energy: 1.0256808547268055
Energy: 1.0503039892176873
Energy: 1.0256808547268055
Energy: 1.0503039892176873
Energy: 1.0256808547268055
Energy: 0.9951738549352328
Energy: 0.94511108549465
Energy: 0.9951738549362422
Energy: 0.94511108549465
Energy: 0.9951738549352328
Energy: 0.94511108549465
Energy: 0.9819338514632525
Energy: 1.0515772533543561
Energy: 0.9819338514632525
Energy: 1.0515772533543561
Energy: 0.9819338514627478
Energy: 1.0515772533543561
Energy: 1.115596933931629
Energy: 0.9680626009285836
Energy: 1.1155969339306195
Energy: 0.9680626009280789
Energy: 1.115596933931629
Energy: 0.9680626009280789
Energy: 0.959382128846032
Energy: 0.9661834393855484
Energy: 0.959382128846032
Energy: 0.9661834393855484
Energy: 0.959382128846032
Energy: 0.9661834393860532
Energy: 1.0243635645574811
Energy: 1.049617044070294
Energy: 1.0243635645574811
Energy: 1.049617044070294
Energy: 1.0243635645574811
Energy: 1.049617044070294
Energy: 0.9645827915273675
Energy: 0.9435600832807456
Energy: 0.9645827915283768
Energy: 0.9435600832802411
Energy: 0.9645827915283768
Energy: 0.9435600832807456
Energy: 1.074870929071139
Energy: 1.1002866882465852
Energy: 1.074870929072148
Energy: 1.1002866882460804
Energy: 1.0748709290726528
Energy: 1.1002866882475946
Energy: 1.108729034077696
Energy: 1.0823474265026045
Energy: 1.1087290340771914
Energy: 1.0823474265026045
Energy: 1.108729034077696
Energy: 1.082347426503109
Energy: 0.9566884027992364
Energy: 0.9260351690631712
Energy: 0.9566884027987317
Energy: 0.9260351690631712
Energy: 0.9566884027987317
Energy: 0.9260351690631712
Energy: 1.1111783462310918
Energy: 1.0829809559239296
Energy: 1.1111783462310918
Energy: 1.082980955923425
Energy: 1.1111783462310918
Energy: 1.082980955923425
Energy: 0.9782106476688461
Energy: 1.0513034123791865
Energy: 0.9782106476688461
Energy: 1.0513034123796912
Energy: 0.9782106476693508
Energy: 1.0513034123786817
Energy: 1.0439882271988792
Energy: 1.103401223345851
Energy: 1.0439882271988792
Energy: 1.103401223345851
Energy: 1.0439882271983745
Energy: 1.103401223345851
Energy: 0.9997422524450511
Energy: 1.0313782621200416
Energy: 0.9997422524445463
Energy: 1.0313782621205465
Energy: 0.9997422524445463
Energy: 1.0313782621210512
Energy: 0.9683280996730101
Energy: 1.0200198547908155
Energy: 0.9683280996725054
Energy: 1.02001985479132
Energy: 0.9683280996725054
Energy: 1.0200198547908155
Energy: 1.101672011615488
Energy: 0.9744090204760694
Energy: 1.101672011615488
Energy: 0.9744090204765741
Energy: 1.101672011615488
Energy: 0.9744090204760694
Energy: 0.9616531974352946
Energy: 0.9917292969577176
Energy: 0.9616531974357995
Energy: 0.9917292969582224
Energy: 0.9616531974352946
Energy: 0.9917292969577176

minimum gb energy = 0.9260351690631712 eV
minimum distance =  2.30747965229287 Angstroms
sigma value = 41


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

Energy: 1.2322350336601264
Energy: 1.1403287799412656
Energy: 1.2322350336601264
Energy: 1.1403287799412656
Energy: 1.2322350336601264
Energy: 1.1403287799412656
Energy: 1.1142341500188642
Energy: 1.2124463870110302
Energy: 1.1142341500188642
Energy: 1.2124463870110302
Energy: 1.1142341500188642
Energy: 1.2124463870110302
Energy: 1.3623769963810435
Energy: 1.2064487175901641
Energy: 1.330484409285052
Energy: 1.2064487175901641
Energy: 1.330484409285052
Energy: 1.2064487175901641
Energy: 1.2735872737941678
Energy: 1.3679766044219874
Energy: 1.2735872737941678
Energy: 1.3679766044219874
Energy: 1.2735872737941678
Energy: 1.3679766044219874
Energy: 1.0835945277116061
Energy: 1.2179419332148236
Energy: 1.0835945277102281
Energy: 1.2179419332148236
Energy: 1.0835945277116061
Energy: 1.2179419332148236
Energy: 1.368695048785438
Energy: 1.250844946066102
Energy: 1.368695048785438
Energy: 1.250844946066102
Energy: 1.368695048785438
Energy: 1.250844946066102
Energy: 1.3296737925182398
Energy: 1.1118325891012684
Energy: 1.3296737925182398
Energy: 1.1118325891012684
Energy: 1.3296737925196174
Energy: 1.1118325891012684
Energy: 1.2013254599071652
Energy: 1.1904909614294084
Energy: 1.2013254599071652
Energy: 1.1904909614294084
Energy: 1.2013254599071652
Energy: 1.1904909614294084
Energy: 1.1124711533583138
Energy: 1.1184409759203393
Energy: 1.1124711533583138
Energy: 1.1184409759203393
Energy: 1.1124711533583138
Energy: 1.1184409759203393
Energy: 1.2356169557412044
Energy: 1.1797649864434625
Energy: 1.2356169557412044
Energy: 1.1797649864448405
Energy: 1.2356169557412044
Energy: 1.1797649864448405
Energy: 1.1165738596221804
Energy: 1.206752940139269
Energy: 1.1165738596221804
Energy: 1.206752940139269
Energy: 1.1165738596221804
Energy: 1.206752940139269
Energy: 1.1988626381368124
Energy: 1.2118346730020304
Energy: 1.1988626381368124
Energy: 1.2118346730020304
Energy: 1.1988626381368124
Energy: 1.2118346730020304
Energy: 1.2384553067088395
Energy: 1.2311647762681421
Energy: 1.2384553067088395
Energy: 1.2311647762681421
Energy: 1.2384553067088395
Energy: 1.2311647762695197
Energy: 1.2089112294619557
Energy: 1.2126343375613096
Energy: 1.2089112294619557
Energy: 1.2126343375613096
Energy: 1.2089112294619557
Energy: 1.2126343375613096

minimum gb energy = 1.0835945277102281 eV
minimum distance =  2.26873117769649 Angstroms
sigma value = 11


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

Energy: 1.484640074624702
Energy: 1.4230550639009933
Energy: 1.484640074624702
Energy: 1.4230550639009933
Energy: 1.4846400746240966
Energy: 1.4230550639009933
Energy: 1.224656292611938
Energy: 1.4081781055722722
Energy: 1.224656292611938
Energy: 1.4081781055716671
Energy: 1.224656292611938
Energy: 1.4081781055716671
Energy: 1.4091360378169464
Energy: 1.3387575950020645
Energy: 1.3602378612685657
Energy: 1.33875759500267
Energy: 1.3602378612685657
Energy: 1.33875759500267
Energy: 1.3330811613114961
Energy: 1.222637965479513
Energy: 1.3330811613108908
Energy: 1.222637965479513
Energy: 1.3330811613108908
Energy: 1.222637965479513
Energy: 1.3730303407790678
Energy: 1.3225273856420423
Energy: 1.3730303407790678
Energy: 1.3225273856420423
Energy: 1.3730303407790678
Energy: 1.3225273856420423
Energy: 1.3203749401217177
Energy: 1.3586122481387668
Energy: 1.3203749401217177
Energy: 1.3586122481387668
Energy: 1.3203749401223228
Energy: 1.3586122481387668
Energy: 1.3281812264183235
Energy: 1.306258635980463
Energy: 1.3281812264183235
Energy: 1.306258635980463
Energy: 1.3281812264183235
Energy: 1.306258635980463
Energy: 1.305769113373301
Energy: 1.3294950297465875
Energy: 1.305769113373301
Energy: 1.3294950297465875
Energy: 1.305769113373301
Energy: 1.3294950297465875
Energy: 1.322754811782063
Energy: 1.331845244092866
Energy: 1.322754811782063
Energy: 1.3318452440922606
Energy: 1.322754811782063
Energy: 1.3318452440922606
Energy: 1.3228829514089577
Energy: 1.3148403324497293
Energy: 1.3228829514089577
Energy: 1.3148403324497293
Energy: 1.3228829514083522
Energy: 1.3148403324497293
Energy: 1.2528565723474963
Energy: 1.3955940979802428
Energy: 1.2528565723474963
Energy: 1.3955940979802428
Energy: 1.2528565723474963
Energy: 1.3955940979802428
Energy: 1.3366265686525622
Energy: 1.3807851900506807
Energy: 1.336626568651957
Energy: 1.3807851900506807
Energy: 1.3366265686525622
Energy: 1.3807851900506807
Energy: 1.3264650133660163
Energy: 1.269234614862746
Energy: 1.326465013365411
Energy: 1.269234614862746
Energy: 1.3264650133660163
Energy: 1.269234614862746
Energy: 1.3286233456913734
Energy: 1.370727857207137
Energy: 1.328623345691979
Energy: 1.370727857207137
Energy: 1.328623345691979
Energy: 1.370727857207137
Energy: 1.270392549106396
Energy: 1.30190012465009
Energy: 1.270392549106396
Energy: 1.30190012465009
Energy: 1.2703925491070014
Energy: 1.30190012465009
Energy: 1.4028815714911647
Energy: 1.3158865026070412
Energy: 1.4028815714911647
Energy: 1.3158865026070412
Energy: 1.4028815714905594
Energy: 1.3158865026070412
Energy: 1.2604277751075808
Energy: 1.440936388605226
Energy: 1.2604277751081863
Energy: 1.4409363886058313
Energy: 1.2604277751081863
Energy: 1.440936388605226
Energy: 1.378108503519624
Energy: 1.4004541503003087
Energy: 1.378108503519624
Energy: 1.4004541502997032
Energy: 1.3781085035202294
Energy: 1.4004541503003087
Energy: 1.322683978772381
Energy: 1.258031160829053
Energy: 1.322683978772381
Energy: 1.2580311608296582
Energy: 1.322683978772381
Energy: 1.258031160829053
Energy: 1.3248330045781966
Energy: 1.386770166739503
Energy: 1.3248330045781966
Energy: 1.3867701667401084
Energy: 1.3248330045781966
Energy: 1.3867701667401084
Energy: 1.2509037092672974
Energy: 1.2705132921986841
Energy: 1.2509037092679027
Energy: 1.2705132921986841
Energy: 1.2509037092679027
Energy: 1.270513292198079
Energy: 1.4295477897757303
Energy: 1.4323913898636396
Energy: 1.4295477897757303
Energy: 1.4323913898636396
Energy: 1.4295477897757303
Energy: 1.4323913898636396
Energy: 1.3071312920298752
Energy: 1.3065229632110504
Energy: 1.30713129202927
Energy: 1.3065229632110504
Energy: 1.3071312920298752
Energy: 1.3065229632110504
Energy: 1.3721562514859895
Energy: 1.3728137882316271
Energy: 1.3721562514865948
Energy: 1.3728137882316271
Energy: 1.3721562514859895
Energy: 1.3728137882316271
Energy: 1.326541164984484
Energy: 1.3099584702786637
Energy: 1.3265411649838785
Energy: 1.3099584702786637
Energy: 1.326541164984484
Energy: 1.3099584702786637
Energy: 1.246265256803728
Energy: 1.3753802974691764
Energy: 1.246265256803728
Energy: 1.3753802974691764
Energy: 1.2462652568043333
Energy: 1.3753802974691764
Energy: 1.3040977948121104
Energy: 1.3874250108457367
Energy: 1.3040977948115051
Energy: 1.3874250108451316
Energy: 1.3040977948121104
Energy: 1.3874250108451316
Energy: 1.3363499856778556
Energy: 1.270417692814534
Energy: 1.33634998567725
Energy: 1.2704176928139286
Energy: 1.3363499856778556
Energy: 1.270417692814534
Energy: 1.3209642033162896
Energy: 1.349322612402787
Energy: 1.3209642033162896
Energy: 1.3493226124033924
Energy: 1.3209642033162896
Energy: 1.3493226124033924
Energy: 1.2770357534609318
Energy: 1.2244426296679425
Energy: 1.2770357534615373
Energy: 1.2244426296679425
Energy: 1.2770357534609318
Energy: 1.2244426296679425
Energy: 1.3217987330536174
Energy: 1.3889590608268587
Energy: 1.3217987330536174
Energy: 1.3889590608268587
Energy: 1.3217987330536174
Energy: 1.3889590608262534

minimum gb energy = 1.222637965479513 eV
minimum distance =  2.25614442342261 Angstroms
sigma value = 57


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

Energy: 1.2601831689344811
Energy: 1.1598084892397413
Energy: 1.2601831689344811
Energy: 1.1598084892397413
Energy: 1.2601831689344811
Energy: 1.1598084892397413
Energy: 1.361463576812295
Energy: 1.384775151595349
Energy: 1.3614635768144492
Energy: 1.384775151595349
Energy: 1.3614635768144492
Energy: 1.3847751515921176
Energy: 1.3991709989444472
Energy: 1.2855674311777519
Energy: 1.3991709989444472
Energy: 1.2855674311766745
Energy: 1.399170998945524
Energy: 1.2855674311766745
Energy: 1.276365585508089
Energy: 1.4845137204365837
Energy: 1.276365585508089
Energy: 1.2060603542489976
Energy: 1.276365585508089
Energy: 1.2060603542489976
Energy: 1.3992011078541275
Energy: 1.2855810410359794
Energy: 1.3992011078541275
Energy: 1.2855810410359794
Energy: 1.3992011078552047
Energy: 1.2855810410349022
Energy: 1.3618885088661952
Energy: 1.2002768434947293
Energy: 1.3618885088661952
Energy: 1.2002768434947293
Energy: 1.3618885088661952
Energy: 1.200276843493652
Energy: 1.260183168933404
Energy: 1.1598084892397413
Energy: 1.2601831689323268
Energy: 1.1598084892397413
Energy: 1.2601831689323268
Energy: 1.1598084892397413
Energy: 1.3614635768133723
Energy: 1.384775151594272
Energy: 1.3614635768133723
Energy: 1.3847751515931945
Energy: 1.3614635768133723
Energy: 1.384775151594272
Energy: 1.3991709989444472
Energy: 1.2855674311755976
Energy: 1.3991709989444472
Energy: 1.2855674311755976
Energy: 1.399170998945524
Energy: 1.2855674311755976
Energy: 1.276365585508089
Energy: 1.1393920580548034
Energy: 1.276365585508089
Energy: 1.1393920580558805
Energy: 1.276365585508089
Energy: 1.1393920580548034
Energy: 1.3992011078530504
Energy: 1.2855810410359794
Energy: 1.3992011078530504
Energy: 1.2855810410349022
Energy: 1.3992011078530504
Energy: 1.2855810410349022
Energy: 1.3618885088661952
Energy: 1.2002768434925748
Energy: 1.3618885088651178
Energy: 1.2002768434925748
Energy: 1.3618885088651178
Energy: 1.200276843493652
Energy: 1.2601831689344811
Energy: 1.1598084892397413
Energy: 1.260183168933404
Energy: 1.1598084892397413
Energy: 1.2601831689344811
Energy: 1.1598084892397413
Energy: 1.3614635768144492
Energy: 1.384775151595349
Energy: 1.361463576812295
Energy: 1.384775151595349
Energy: 1.3614635768144492
Energy: 1.384775151594272
Energy: 1.3991709989444472
Energy: 1.2855674311766745
Energy: 1.399170998945524
Energy: 1.2855674311777519
Energy: 1.3991709989444472
Energy: 1.2855674311766745
Energy: 1.276365585508089
Energy: 1.1393920580558805
Energy: 1.276365585508089
Energy: 1.1393920580558805
Energy: 1.276365585508089
Energy: 1.1393920580558805
Energy: 1.3992011078541275
Energy: 1.2855810410359794
Energy: 1.3992011078552047
Energy: 1.2855810410349022
Energy: 1.3992011078552047
Energy: 1.2855810410349022

minimum gb energy = 1.1393920580548034 eV
minimum distance =  2.28003186176965 Angstroms
sigma value = 9


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

Energy: 1.4277240587918658
Energy: 1.4507970188924333
Energy: 1.4277240587918658
Energy: 1.4507970188924333
Energy: 1.4277240587918658
Energy: 1.4507970188924333
Energy: 1.3251256103500433
Energy: 1.3537726851251692
Energy: 1.3251256103500433
Energy: 1.3537726851242897
Energy: 1.3251256103500433
Energy: 1.3537726851242897
Energy: 1.332858154463485
Energy: 1.351536805654672
Energy: 1.332858154463485
Energy: 1.351536805654672
Energy: 1.3328581544626052
Energy: 1.351536805654672
Energy: 1.3561079972303538
Energy: 1.3794601032000418
Energy: 1.3561079972312333
Energy: 1.3794601032000418
Energy: 1.3561079972303538
Energy: 1.3794601032000418
Energy: 1.336041048106374
Energy: 1.391346169907675
Energy: 1.336041048106374
Energy: 1.3913461699067953
Energy: 1.336041048106374
Energy: 1.391346169907675
Energy: 1.3353634668809986
Energy: 1.379045917285874
Energy: 1.3353634668809986
Energy: 1.379045917285874
Energy: 1.3353634668809986
Energy: 1.379045917285874
Energy: 1.3595295855403011
Energy: 1.341413252447383
Energy: 1.3595295855403011
Energy: 1.341413252447383
Energy: 1.3595295855394216
Energy: 1.341413252447383
Energy: 1.325120726425377
Energy: 1.3806596295949058
Energy: 1.325120726425377
Energy: 1.3806596295949058
Energy: 1.325120726425377
Energy: 1.3806596295940265
Energy: 1.5008267808921614
Energy: 1.3213944899856396
Energy: 1.5008267808921614
Energy: 1.3213944899856396
Energy: 1.5008267808921614
Energy: 1.3213944899856396
Energy: 1.3578073505543569
Energy: 1.3660572782370526
Energy: 1.3578073505552364
Energy: 1.3660572782370526
Energy: 1.3578073505552364
Energy: 1.3660572782370526
Energy: 1.354699158482165
Energy: 1.3250371207614877
Energy: 1.3546991584830448
Energy: 1.325037120760608
Energy: 1.3546991584830448
Energy: 1.3250371207614877
Energy: 1.3864061299584922
Energy: 1.3839352868053247
Energy: 1.3864061299584922
Energy: 1.3839352868053247
Energy: 1.3864061299593717
Energy: 1.3839352868053247
Energy: 1.3287239210567747
Energy: 1.3420537591249475
Energy: 1.3287239210558952
Energy: 1.3420537591258268
Energy: 1.3287239210567747
Energy: 1.3420537591258268
Energy: 1.3715857990789935
Energy: 1.3311983615498193
Energy: 1.3715857990789935
Energy: 1.3311983615498193
Energy: 1.3715857990789935
Energy: 1.3311983615498193
Energy: 1.4124939348653995
Energy: 1.3681905989201233
Energy: 1.412493934866279
Energy: 1.3681905989201233
Energy: 1.412493934866279
Energy: 1.3681905989201233
Energy: 1.425466707876924
Energy: 1.4330250067052255
Energy: 1.4254667078760446
Energy: 1.4330250067052255
Energy: 1.425466707876924
Energy: 1.4330250067052255
Energy: 1.4668273031561796
Energy: 1.4602781043244057
Energy: 1.4668273031561796
Energy: 1.4602781043244057
Energy: 1.4668273031561796
Energy: 1.4602781043235264
Energy: 1.4599158776374859
Energy: 1.3787073365456217
Energy: 1.4599158776374859
Energy: 1.3787073365465015
Energy: 1.4599158776374859
Energy: 1.3787073365456217
Energy: 1.3257240260193817
Energy: 1.3360762098290488
Energy: 1.3257240260193817
Energy: 1.3360762098290488
Energy: 1.3257240260193817
Energy: 1.3360762098290488
Energy: 1.4108123855377996
Energy: 1.3528329714931013
Energy: 1.4108123855386792
Energy: 1.3528329714931013
Energy: 1.4108123855386792
Energy: 1.3528329714931013
Energy: 1.3866747573415164
Energy: 1.3708878614118245
Energy: 1.3866747573406366
Energy: 1.3708878614118245
Energy: 1.3866747573406366
Energy: 1.3708878614118245

minimum gb energy = 1.3213944899856396 eV
minimum distance =  2.24513006230729 Angstroms
sigma value = 27


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

Energy: 1.397513767301659
Energy: 1.264467876974033
Energy: 1.350631279035152
Energy: 1.2644678769747741
Energy: 1.397513767301659
Energy: 1.2644678769755158
Energy: 1.3322464204111941
Energy: 1.3093918939774154
Energy: 1.3322464204104527
Energy: 1.3093918939774154
Energy: 1.3322464204111941
Energy: 1.309391893976674
Energy: 1.3083127988949024
Energy: 1.3577195490138165
Energy: 1.3083127988956438
Energy: 1.3577195490138165
Energy: 1.3083127988949024
Energy: 1.357719549014558
Energy: 1.3105301892577481
Energy: 1.7405283970044394
Energy: 1.3105301892570067
Energy: 1.7405283970022152
Energy: 1.3105301892584895
Energy: 1.7405283970007326
Energy: 1.3097528829795264
Energy: 1.207728646372555
Energy: 1.309752882978785
Energy: 1.2077286463718135
Energy: 1.3097528829795264
Energy: 1.207728646372555
Energy: 1.2792612350133243
Energy: 1.3540701326900981
Energy: 1.279261235014066
Energy: 1.3540701326900981
Energy: 1.2792612350133243
Energy: 1.3540701326908393
Energy: 1.3505344806212292
Energy: 1.3071020896757806
Energy: 1.3505344806219706
Energy: 1.3071020896757806
Energy: 1.3505344806212292
Energy: 1.3071020896750392
Energy: 1.4231312941460834
Energy: 1.3786441381073564
Energy: 1.4231312941468248
Energy: 1.3786441381073564
Energy: 1.4231312941468248
Energy: 1.3786441381073564
Energy: 1.2258814136852905
Energy: 1.353809412177377
Energy: 1.225881413686773
Energy: 1.353809412177377
Energy: 1.2258814136860319
Energy: 1.3538094121788598
Energy: 1.3109380944692541
Energy: 1.2240687670208752
Energy: 1.3109380944692541
Energy: 1.2240687670208752
Energy: 1.3109380944692541
Energy: 1.2240687670201338
Energy: 1.310445870447987
Energy: 1.2913081857026942
Energy: 1.310445870447987
Energy: 1.2913081857026942
Energy: 1.310445870447987
Energy: 1.2913081857012116
Energy: 1.3065456576528878
Energy: 1.3782508179297561
Energy: 1.3065456576521464
Energy: 1.3782508179297561
Energy: 1.3065456576528878
Energy: 1.3782508179297561
Energy: 1.3835060122060672
Energy: 1.457701701464289
Energy: 1.3835060122060672
Energy: 1.457701701464289
Energy: 1.3835060122060672
Energy: 1.4577017014635476
Energy: 1.350323995245618
Energy: 1.2248341285108761
Energy: 1.3503239952463595
Energy: 1.2248341285101347
Energy: 1.350323995245618
Energy: 1.2248341285108761
Energy: 1.275380936982343
Energy: 1.3540610618760722
Energy: 1.2753809369838258
Energy: 1.3540610618760722
Energy: 1.275380936982343
Energy: 1.3540610618753308
Energy: 1.3099133338528146
Energy: 1.3096420797754704
Energy: 1.3099133338528146
Energy: 1.3096420797762116
Energy: 1.3099133338528146
Energy: 1.3096420797739876
Energy: 1.315000770690495
Energy: 1.3087805636501542
Energy: 1.315000770690495
Energy: 1.3087805636508956
Energy: 1.315000770690495
Energy: 1.3087805636501542
Energy: 1.3839738964754886
Energy: 1.3762421420670798
Energy: 1.3839738964747472
Energy: 1.3762421420663387
Energy: 1.3839738964754886
Energy: 1.376242142064856
Energy: 1.3007405643125252
Energy: 1.310959010813416
Energy: 1.2522741642298698
Energy: 1.3109590108126747
Energy: 1.3007405643117838
Energy: 1.3109590108163816
Energy: 1.397513767301659
Energy: 1.2644678769755158
Energy: 1.350631279035152
Energy: 1.2644678769755158
Energy: 1.397513767301659
Energy: 1.2644678769769986
Energy: 1.3322464204111941
Energy: 1.3093918939781566
Energy: 1.3322464204104527
Energy: 1.3093918939781566
Energy: 1.3322464204111941
Energy: 1.3093918939774154
Energy: 1.3083127988956438
Energy: 1.3577195490130753
Energy: 1.3083127988963852
Energy: 1.3577195490123337
Energy: 1.3083127988956438
Energy: 1.3577195490130753
Energy: 1.3105301892570067
Energy: 1.7405283970014738
Energy: 1.3105301892562653
Energy: 1.7405283969992835
Energy: 1.3105301892562653
Energy: 1.7405283970007326
Energy: 1.309752882978785
Energy: 1.207728646372555
Energy: 1.3097528829780436
Energy: 1.207728646372555
Energy: 1.309752882978785
Energy: 1.207728646372555
Energy: 1.2792612350133243
Energy: 1.3540701326908393
Energy: 1.279261235014066
Energy: 1.3540701326908393
Energy: 1.2792612350133243
Energy: 1.3540701326923221

minimum gb energy = 1.2077286463718135 eV
minimum distance =  2.29927624783048 Angstroms
sigma value = 19


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

Energy: 1.3561900326503897
Energy: 1.3721214227794944
Energy: 1.3561900326503897
Energy: 1.3721214227794944
Energy: 1.3561900326503897
Energy: 1.3721214227794944
Energy: 1.2764318923237665
Energy: 1.328638307035713
Energy: 1.2764318923237665
Energy: 1.328638307035713
Energy: 1.2764318923237665
Energy: 1.328638307035713
Energy: 1.3413862049124392
Energy: 1.279439885831141
Energy: 1.3413862049124392
Energy: 1.2794398858317517
Energy: 1.3413862049117993
Energy: 1.2794398858317517
Energy: 1.2978267038212532
Energy: 1.2638942161251367
Energy: 1.2978267038212532
Energy: 1.2638942161251367
Energy: 1.297826703820613
Energy: 1.2638942161251367
Energy: 1.2895036785440401
Energy: 1.3442326779543767
Energy: 1.2895036785440401
Energy: 1.3442326779537366
Energy: 1.2895036785446803
Energy: 1.3442326779543767
Energy: 1.266513471449017
Energy: 1.31071304549644
Energy: 1.266513471449017
Energy: 1.3107130454958
Energy: 1.2665134714483768
Energy: 1.31071304549644
Energy: 1.2551943328281119
Energy: 1.4781729325822393
Energy: 1.2551943328281119
Energy: 1.4781729325822393
Energy: 1.2551943328281119
Energy: 1.478172932581599
Energy: 1.3206927940653308
Energy: 1.4495731591392749
Energy: 1.3206927940653308
Energy: 1.4495731591399148
Energy: 1.3206927940653308
Energy: 1.4495731591392749
Energy: 1.3694321278921195
Energy: 1.2784219261590768
Energy: 1.3694321278921195
Energy: 1.2784219261590768
Energy: 1.3694321278921195
Energy: 1.2784219261597167
Energy: 1.3680665866702573
Energy: 1.2783720984655484
Energy: 1.3680665866702573
Energy: 1.2783720984655484
Energy: 1.3680665866702573
Energy: 1.2783720984655484
Energy: 1.2914329299396288
Energy: 1.464106560899761
Energy: 1.2914329299396288
Energy: 1.464106560899761
Energy: 1.2914329299396288
Energy: 1.464106560899761
Energy: 1.3392338621745694
Energy: 1.2541866778156447
Energy: 1.3392338621752093
Energy: 1.2541866778156447
Energy: 1.3392338621745694
Energy: 1.2541866778156447
Energy: 1.3808944123542122
Energy: 1.3096297005986062
Energy: 1.3808944123535725
Energy: 1.3096297005986062
Energy: 1.3808944123542122
Energy: 1.3096297005986062
Energy: 1.3090621070666124
Energy: 1.261999197721402
Energy: 1.3090621070659725
Energy: 1.261999197721402
Energy: 1.3090621070666124
Energy: 1.261999197721402
Energy: 1.3011400134861146
Energy: 1.2520777592577939
Energy: 1.3011400134861146
Energy: 1.252077759257154
Energy: 1.3011400134861146
Energy: 1.2520777592577939
Energy: 1.3461900231819524
Energy: 1.2744039727988643
Energy: 1.3461900231825923
Energy: 1.2744039727988643
Energy: 1.3461900231819524
Energy: 1.2744039727988643
Energy: 1.31889967357992
Energy: 1.313413450112287
Energy: 1.31889967357992
Energy: 1.313413450112287
Energy: 1.31889967357992
Energy: 1.313413450112287
Energy: 1.3026464042817545
Energy: 1.3557821322179395
Energy: 1.3026464042823944
Energy: 1.3557821322179395
Energy: 1.3026464042830344
Energy: 1.3557821322172996
Energy: 1.3020134816266367
Energy: 1.309680548100799
Energy: 1.3020134816272766
Energy: 1.309680548100799
Energy: 1.3020134816272766
Energy: 1.309680548100799
Energy: 1.2720128127064756
Energy: 1.3071520146628428
Energy: 1.2720128127058354
Energy: 1.3071520146622029
Energy: 1.2720128127064756
Energy: 1.3071520146622029
Energy: 1.2444993316672015
Energy: 1.4557464714160298
Energy: 1.2444993316672015
Energy: 1.4557464714160298
Energy: 1.2444993316672015
Energy: 1.4557464714160298
Energy: 1.392962067958002
Energy: 1.2876952757005222
Energy: 1.3929620679586419
Energy: 1.2876952757005222
Energy: 1.392962067958002
Energy: 1.2876952757005222
Energy: 1.4340169133307332
Energy: 1.290651488866668
Energy: 1.4340169133307332
Energy: 1.290651488867308
Energy: 1.4340169133307332
Energy: 1.290651488866028
Energy: 1.347192725474342
Energy: 1.4267374887288378
Energy: 1.347192725474342
Energy: 1.4267374887288378
Energy: 1.347192725474342
Energy: 1.4267374887288378
Energy: 1.2806836271634419
Energy: 1.2541555733333596
Energy: 1.280683627164082
Energy: 1.2541555733333596
Energy: 1.2806836271634419
Energy: 1.2541555733333596
Energy: 1.331404988558392
Energy: 1.2732416524621624
Energy: 1.331404988558392
Energy: 1.2732416524621624
Energy: 1.331404988558392
Energy: 1.2732416524621624
Energy: 1.2883184883651753
Energy: 1.2505566236371317
Energy: 1.2883184883651753
Energy: 1.2505566236377716
Energy: 1.2883184883651753
Energy: 1.2505566236377716
Energy: 1.3116197983005113
Energy: 1.291367272424935
Energy: 1.3116197982992315
Energy: 1.291367272424935
Energy: 1.3116197983005113
Energy: 1.291367272424935
Energy: 1.3020324426663912
Energy: 1.293498135511307
Energy: 1.3020324426663912
Energy: 1.293498135511307
Energy: 1.3020324426663912
Energy: 1.293498135511307

minimum gb energy = 1.2444993316672015 eV
minimum distance =  2.27197205378085 Angstroms
sigma value = 101


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

Energy: 1.2646294623578003
Energy: 1.2932536373305172
Energy: 1.2646294623578003
Energy: 1.29325363733108
Energy: 1.2646294623578003
Energy: 1.29325363733108
Energy: 1.4238173642683627
Energy: 1.2750409833480774
Energy: 1.4238173642678003
Energy: 1.254605218579766
Energy: 1.4238173642683627
Energy: 1.254605218579766
Energy: 1.250172719339737
Energy: 1.24099281384779
Energy: 1.250172719339737
Energy: 1.24099281384779
Energy: 1.250172719339737
Energy: 1.24099281384779
Energy: 1.20178366035351
Energy: 1.4790032770859698
Energy: 1.2017836603529475
Energy: 1.2801025402035207
Energy: 1.2017836603529475
Energy: 1.2801025402035207
Energy: 1.272908015931091
Energy: 1.2666549294221439
Energy: 1.272908015931091
Energy: 1.2666549294221439
Energy: 1.272908015931091
Energy: 1.2666549294227067
Energy: 1.2379041189778877
Energy: 1.2239279207429532
Energy: 1.2379041189778877
Energy: 1.2239279207429532
Energy: 1.2379041189767626
Energy: 1.2239279207429532
Energy: 1.25304767031578
Energy: 1.3448464248972378
Energy: 1.25304767031578
Energy: 1.3448464248972378
Energy: 1.25304767031578
Energy: 1.3448464248972378
Energy: 1.2403107497097727
Energy: 1.4268067105453386
Energy: 1.2403107497097727
Energy: 1.338238346832593
Energy: 1.2403107497097727
Energy: 1.338238346835968
Energy: 1.2334179118124955
Energy: 1.2254421135596594
Energy: 1.2334179118119328
Energy: 1.2254421135602218
Energy: 1.233417911813058
Energy: 1.2254421135602218
Energy: 1.2921494923242973
Energy: 1.2864046826863542
Energy: 1.2921494923242973
Energy: 1.2864046826863542
Energy: 1.2921494923242973
Energy: 1.2864046826863542
Energy: 1.200123139468501
Energy: 1.49128936697651
Energy: 1.200123139468501
Energy: 1.49128936697651
Energy: 1.200123139468501
Energy: 1.49128936697651
Energy: 1.5450200647268146
Energy: 1.2538083425739728
Energy: 1.5450200647262522
Energy: 1.2538083425739728
Energy: 1.5450200647268146
Energy: 1.2538083425734106
Energy: 1.2606465420195785
Energy: 1.2371772152002818
Energy: 1.2606465420195785
Energy: 1.2371772152002818
Energy: 1.2606465420195785
Energy: 1.237177215200844
Energy: 1.2647458874082897
Energy: 1.3219033895120071
Energy: 1.2647458874082897
Energy: 1.3219033895114447
Energy: 1.2647458874082897
Energy: 1.3219033895114447
Energy: 1.3141734280183037
Energy: 1.258520983659524
Energy: 1.3141734280188662
Energy: 1.258520983659524
Energy: 1.3141734280183037
Energy: 1.258520983659524
Energy: 1.2501285617714535
Energy: 1.2438662927712805
Energy: 1.2501285617703288
Energy: 1.2438662927712805
Energy: 1.2501285617720161
Energy: 1.2438662927712805
Energy: 1.1970668582462614
Energy: 1.3850606460505728
Energy: 1.1970668582462614
Energy: 1.3850606460505728
Energy: 1.1970668582462614
Energy: 1.3850606460505728
Energy: 1.2225908662973142
Energy: 1.2650492945096246
Energy: 1.2225908662967515
Energy: 1.2650492945096246
Energy: 1.2225908662973142
Energy: 1.2650492945096246
Energy: 1.2639432309517211
Energy: 1.224487084134019
Energy: 1.2639432309522838
Energy: 1.224487084134019
Energy: 1.2639432309517211
Energy: 1.2244870841345812
Energy: 1.2526162695965821
Energy: 1.471652389672832
Energy: 1.2526162695965821
Energy: 1.4716523896722693
Energy: 1.2526162695971448
Energy: 1.471652389672832
Energy: 1.2197302048115621
Energy: 1.4968858307911095
Energy: 1.2197302048104373
Energy: 1.4968858307911095
Energy: 1.2197302048109997
Energy: 1.4968858307911095
Energy: 1.5213236314550032
Energy: 1.223270946003149
Energy: 1.5213236314550032
Energy: 1.223270946003149
Energy: 1.5213236314550032
Energy: 1.2232709460037114
Energy: 1.3301738746400142
Energy: 1.2185300141755706
Energy: 1.3301738746422642
Energy: 1.2185300141755706
Energy: 1.3301738746394514
Energy: 1.2185300141750082
Energy: 1.2017437859173843
Energy: 1.325312095734012
Energy: 1.2017437859168216
Energy: 1.325312095734012
Energy: 1.2017437859173843
Energy: 1.3253120957334497
Energy: 1.491264449209173
Energy: 1.2570587892663374
Energy: 1.491264449209735
Energy: 1.2570587892663374
Energy: 1.491264449209735
Energy: 1.2570587892663374
Energy: 1.2657467796800475
Energy: 1.2433539609107402
Energy: 1.2657467796800475
Energy: 1.2433539609118653
Energy: 1.2657467796800475
Energy: 1.2433539609118653
Energy: 1.2656413664914412
Energy: 1.3334076148448488
Energy: 1.2656413664920039
Energy: 1.3334076148448488
Energy: 1.2656413664920039
Energy: 1.3334076148442866
Energy: 1.2649707171558908
Energy: 1.2653300523901785
Energy: 1.2649707171564533
Energy: 1.2653300523901785
Energy: 1.2649707171558908
Energy: 1.2653300523901785
Energy: 1.3784982327867412
Energy: 1.2409546503078044
Energy: 1.3784982327873039
Energy: 1.240954650308367
Energy: 1.3784982327867412
Energy: 1.240954650308367
Energy: 1.22240474523818
Energy: 1.3397284967421352
Energy: 1.2224047452376174
Energy: 1.3397284967415726
Energy: 1.2224047452387425
Energy: 1.3397284967421352
Energy: 1.200110494150389
Energy: 1.2999370860303072
Energy: 1.200110494150389
Energy: 1.2999370860297446
Energy: 1.200110494150389
Energy: 1.2999370860303072
Energy: 1.4717557486015715
Energy: 1.22348813177701
Energy: 1.4717557486015715
Energy: 1.2234881317764474
Energy: 1.471755748601009
Energy: 1.22348813177701
Energy: 1.4833645275434537
Energy: 1.236727147483206
Energy: 1.4833645275440164
Energy: 1.236727147483206
Energy: 1.4833645275440164
Energy: 1.2367271474837687

minimum gb energy = 1.1970668582462614 eV
minimum distance =  2.29177086464007 Angstroms
sigma value = 33


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

Energy: 0.02051729460357125
Energy: 1.039639073238789
Energy: 0.02051729460357125
Energy: 1.039639073238789
Energy: 0.02051729460357125
Energy: 1.039639073238789
Energy: 0.0215235953448818
Energy: 0.4363995776719267
Energy: 0.0215235953448818
Energy: 0.4363995776719267
Energy: 0.0215235953448818
Energy: 0.4363995776719267
Energy: 2.228566050326918
Energy: 0.43612972733639044
Energy: 1.0401659616287864
Energy: 0.436129727335923
Energy: 1.0401858035970863
Energy: 0.43612972733545563
Energy: 0.021523595344466333
Energy: 0.4363995776723421
Energy: 0.021523595343998933
Energy: 0.4363995776723421
Energy: 0.021523595344466333
Energy: 0.4363995776723421

minimum gb energy = 0.02051729460357125 eV
minimum distance =  2.4847372122012 Angstroms
sigma value = 1