Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_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=3.521391749382019
cohesive_energy=4.450349977833563
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: 0.018146815134417748
Energy: 1.2619693586429404
Energy: 0.018146815134417748
Energy: 1.2619693586429404
Energy: 0.018146815134417748
Energy: 1.2619693586438951
Energy: 1.2619693586435645
Energy: 1.5255261147929913
Energy: 1.2619693586435645
Energy: 1.525526114794607
Energy: 1.261969358643234
Energy: 1.525526114790384
Energy: 0.018146815134417748
Energy: 1.261969358643234
Energy: 0.01814681513474825
Energy: 1.2619693586442255
Energy: 0.018146815134417748
Energy: 1.2619693586438951
Energy: 1.2619693586438951
Energy: 1.525526114793285
Energy: 1.2619693586435645
Energy: 1.5255261147926609
Energy: 1.2619693586435645
Energy: 1.5255261147913755
Energy: 0.018146815134417748
Energy: 1.2619693586435645
Energy: 0.01814681513474825
Energy: 1.2619693586435645
Energy: 0.01814681513474825
Energy: 1.2619693586435645
Energy: 1.261969358643234
Energy: 1.5255261147910448
Energy: 1.261969358643234
Energy: 1.5255261147916692
Energy: 1.2619693586435645
Energy: 1.5255261147929913

minimum gb energy = 0.018146815134417748 eV
minimum distance =  2.3623950325418 Angstroms
sigma value = 1


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

Energy: 1.6123258462939698
Energy: 1.5376957826958753
Energy: 1.6123258462931742
Energy: 1.5376957826958753
Energy: 1.6123258462931742
Energy: 1.5376957826958753
Energy: 1.807127681525088
Energy: 1.4367890818296951
Energy: 1.807127681526679
Energy: 1.4367890818296951
Energy: 1.8071276815258837
Energy: 1.4367890818296951
Energy: 1.5892282987140929
Energy: 1.6095306753311436
Energy: 1.5892282987148885
Energy: 1.6095306753311436
Energy: 1.5892282987148885
Energy: 1.6095306753311436
Energy: 1.681525346904018
Energy: 1.5177392639068603
Energy: 1.6815253469048137
Energy: 1.5177392639060647
Energy: 1.6815253469032223
Energy: 1.5177392639060647
Energy: 1.541118322465826
Energy: 1.6797869768748153
Energy: 1.5411183224650307
Energy: 1.6797869768756106
Energy: 1.5411183224666218
Energy: 1.6797869768748153
Energy: 1.6617912412849711
Energy: 1.471743282562945
Energy: 1.6617912412849711
Energy: 1.471743282562945
Energy: 1.661791241285767
Energy: 1.471743282562945
Energy: 1.493420656961344
Energy: 1.5849722258366157
Energy: 1.493420656961344
Energy: 1.5849722258374113
Energy: 1.493420656961344
Energy: 1.5849722258366157
Energy: 1.4962377584682722
Energy: 1.7118477187439956
Energy: 1.4962377584658857
Energy: 1.7118477187439956
Energy: 1.4962377584682722
Energy: 1.7118477187432002
Energy: 1.6424845457446797
Energy: 1.583119312709361
Energy: 1.6424845457438844
Energy: 1.583119312709361
Energy: 1.6424845457430886
Energy: 1.5831193127101568
Energy: 1.4201807572955591
Energy: 1.6908560286925123
Energy: 1.4201807572955591
Energy: 1.6908560286917165
Energy: 1.4201807572963547
Energy: 1.6908560286925123
Energy: 1.617045553898245
Energy: 1.4718813152828834
Energy: 1.617045553898245
Energy: 1.4718813152836787
Energy: 1.617045553898245
Energy: 1.4718813152836787
Energy: 1.407498843148213
Energy: 1.6891418734114003
Energy: 1.4074988431498041
Energy: 1.6891418734129915
Energy: 1.407498843148213
Energy: 1.6891418734121957
Energy: 1.7253685071188836
Energy: 1.4037006476496643
Energy: 1.725368507118088
Energy: 1.4037006476496643
Energy: 1.7253685071172926
Energy: 1.4037006476504599
Energy: 1.493953793144323
Energy: 1.5157614961185164
Energy: 1.4939537931435272
Energy: 1.5157614961185164
Energy: 1.493953793144323
Energy: 1.5157614961185164
Energy: 1.7994339616185395
Energy: 1.4278431076252567
Energy: 1.799433961617744
Energy: 1.4278431076260523
Energy: 1.7994339616185395
Energy: 1.4278431076268474
Energy: 1.8001139878418408
Energy: 1.6289395371401403
Energy: 1.8001139878426362
Energy: 1.628939537139345
Energy: 1.8001139878426362
Energy: 1.6289395371401403
Energy: 1.5703337108395603
Energy: 1.5776698374270917
Energy: 1.5703337108379691
Energy: 1.577669837426296
Energy: 1.5703337108411513
Energy: 1.577669837426296
Energy: 1.5694441038191782
Energy: 1.502143628099006
Energy: 1.5694441038191782
Energy: 1.502143628099006
Energy: 1.5694441038191782
Energy: 1.502143628099006
Energy: 1.568214768320088
Energy: 1.514175097295447
Energy: 1.568214768320088
Energy: 1.5141750972946513
Energy: 1.5682147683192924
Energy: 1.514175097295447
Energy: 1.633223128622152
Energy: 1.4716080331563282
Energy: 1.633223128622152
Energy: 1.4716080331571237
Energy: 1.6332231286229473
Energy: 1.4716080331563282
Energy: 1.4520960522812167
Energy: 1.9123461824160632
Energy: 1.4520960522820126
Energy: 1.9123461824160632
Energy: 1.4520960522812167
Energy: 1.9123461824152679
Energy: 1.6328658812459174
Energy: 1.5860420736954572
Energy: 1.632865881246713
Energy: 1.5860420736954572
Energy: 1.6328658812459174
Energy: 1.5860420736962528
Energy: 1.4193974082837857
Energy: 1.7226650765035116
Energy: 1.41939740828299
Energy: 1.7226650765035116
Energy: 1.41939740828299
Energy: 1.7226650765035116

minimum gb energy = 1.4037006476496643 eV
minimum distance =  2.25018289756682 Angstroms
sigma value = 33


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

Energy: 1.7088956385413359
Energy: 1.715936511389736
Energy: 1.5996793478147417
Energy: 1.715936511389736
Energy: 1.7088956385408833
Energy: 1.715936511389736
Energy: 1.7024340096167323
Energy: 1.524784722023407
Energy: 1.7024340096162798
Energy: 1.5247847220229542
Energy: 1.7024340096171848
Energy: 1.5247847220229542
Energy: 1.4791253052265232
Energy: 1.5195699129662443
Energy: 1.4791253052265232
Energy: 1.5195699129662443
Energy: 1.4791253052260707
Energy: 1.5195699129662443
Energy: 1.7688248229946768
Energy: 1.7036765739292956
Energy: 1.7688248229928665
Energy: 1.7036765739292956
Energy: 1.7688248229946768
Energy: 1.7036765739292956
Energy: 1.5947060028032
Energy: 1.602020470704137
Energy: 1.5947060028018425
Energy: 1.6020204707045895
Energy: 1.5947060028036526
Energy: 1.602020470705042
Energy: 1.555653852098514
Energy: 1.46823963330604
Energy: 1.5556538520976086
Energy: 1.46823963330604
Energy: 1.555653852098514
Energy: 1.46823963330604
Energy: 1.7234424639549701
Energy: 1.60065152412291
Energy: 1.7234424639527075
Energy: 1.6006515241233628
Energy: 1.7234424639527075
Energy: 1.6006515241233628
Energy: 1.3976321227037798
Energy: 1.7095605105687
Energy: 1.3976321227046844
Energy: 1.7095605105687
Energy: 1.3976321227037798
Energy: 1.7095605105687
Energy: 1.446475336340589
Energy: 1.4647017073570803
Energy: 1.446475336340589
Energy: 1.4647017073570803
Energy: 1.4464753363401364
Energy: 1.4647017073570803
Energy: 1.447563790259064
Energy: 1.601712402354113
Energy: 1.4475867645196785
Energy: 1.6017124023545652
Energy: 1.447563790259064
Energy: 1.601712402354113
Energy: 1.8332248161713045
Energy: 1.4633509122665387
Energy: 1.8332248161681368
Energy: 1.4633509122665387
Energy: 1.8332248161713045
Energy: 1.4633509122665387
Energy: 1.475127783669135
Energy: 1.574308515303205
Energy: 1.4751212096842075
Energy: 1.57430851530411
Energy: 1.4751277836695873
Energy: 1.57430851530411
Energy: 1.6004466226289373
Energy: 1.4714212178992052
Energy: 1.7090212790660502
Energy: 1.4714212178987527
Energy: 1.6004466226289373
Energy: 1.4714212178987527
Energy: 1.5997373255569616
Energy: 1.7143787229641303
Energy: 1.7092489869298895
Energy: 1.7143787229636778
Energy: 1.5997373255569616
Energy: 1.7143787229641303
Energy: 1.5966114895676702
Energy: 1.5216445579505715
Energy: 1.5966114895681227
Energy: 1.5216445579505715
Energy: 1.5966114895681227
Energy: 1.521644557950119
Energy: 1.4665969232452187
Energy: 1.522535227354825
Energy: 1.466596923247029
Energy: 1.5225352273552775
Energy: 1.4665969232452187
Energy: 1.5225352273552775
Energy: 1.8126235480897857
Energy: 1.6254623932118628
Energy: 1.8126235480884283
Energy: 1.6254623932123153
Energy: 1.8126235480888808
Energy: 1.6254623932118628
Energy: 1.5954954544534494
Energy: 1.4638730497560075
Energy: 1.595495454454354
Energy: 1.463873049755555
Energy: 1.5954954544534494
Energy: 1.4638730497560075
Energy: 1.5590230735754935
Energy: 1.5269402882814032
Energy: 1.5590230735754935
Energy: 1.526940288280498
Energy: 1.5590230735750408
Energy: 1.5269402882800456
Energy: 1.7128859266419336
Energy: 1.604168675959811
Energy: 1.7128859266441963
Energy: 1.604168675959811
Energy: 1.7128859266428385
Energy: 1.6041686759593585
Energy: 1.3974915371456642
Energy: 1.7107381813737053
Energy: 1.3974915371452117
Energy: 1.7107381813741578
Energy: 1.3974915371456642
Energy: 1.7107381813737053
Energy: 1.5187533185841524
Energy: 1.4815107581306408
Energy: 1.5187533185823425
Energy: 1.4815107581306408
Energy: 1.5187533185859625
Energy: 1.4815107581301883
Energy: 1.4542129353192608
Energy: 1.7493345895273154
Energy: 1.4542205417393324
Energy: 1.7493345895277679
Energy: 1.4542129353192608
Energy: 1.7493345895291255
Energy: 1.7578401547832678
Energy: 1.5966088832248513
Energy: 1.7578401547801004
Energy: 1.5966088832243988
Energy: 1.757840154779195
Energy: 1.5966088832248513
Energy: 1.4790281808903016
Energy: 1.5558078435176943
Energy: 1.4791308998527513
Energy: 1.555807843517242
Energy: 1.4790281808903016
Energy: 1.555807843517242
Energy: 1.7101095963221868
Energy: 1.6779730802482866
Energy: 1.6002389790047191
Energy: 1.6779730802473813
Energy: 1.7101095963221868
Energy: 1.6779730802482866
Energy: 1.7095152297644787
Energy: 1.636178157048453
Energy: 1.6004827003637068
Energy: 1.6361781570480007
Energy: 1.7095152297640261
Energy: 1.6361781570489053
Energy: 1.4642478069454534
Energy: 1.5188280819564848
Energy: 1.4642478069440958
Energy: 1.5188280819569375
Energy: 1.464247806945906
Energy: 1.5188280819569375
Energy: 1.7487273737600642
Energy: 1.5234371595935743
Energy: 1.7487273737600642
Energy: 1.5234371595935743
Energy: 1.7487273737600642
Energy: 1.5234371595935743
Energy: 1.454244653678471
Energy: 1.8450495174648869
Energy: 1.454244653678471
Energy: 1.8450495174653394
Energy: 1.4542446536780185
Energy: 1.8450495174662445
Energy: 1.596441912595017
Energy: 1.4650151094121826
Energy: 1.5964419125936595
Energy: 1.4650151094121826
Energy: 1.596441912594112
Energy: 1.4650151094121826
Energy: 1.4866639551292278
Energy: 1.6016960158953957
Energy: 1.4866639551305854
Energy: 1.6016960158953957
Energy: 1.4866639551296803
Energy: 1.6016960158963007
Energy: 1.7179948742882571
Energy: 1.6041649108784626
Energy: 1.717994874290067
Energy: 1.6041649108784626
Energy: 1.7179948742891624
Energy: 1.6041649108775577
Energy: 1.524834223633057
Energy: 1.5990984425653783
Energy: 1.5248342236316996
Energy: 1.599098442565831
Energy: 1.524834223633057
Energy: 1.5990984425653783
Energy: 1.5218201060285075
Energy: 1.4676280321010293
Energy: 1.5218201060253398
Energy: 1.467628032100577
Energy: 1.5218201060285075
Energy: 1.467628032100577
Energy: 1.6272099177183732
Energy: 1.7597237564019852
Energy: 1.627209917719278
Energy: 1.7597237564024377
Energy: 1.627209917718826
Energy: 1.7597237564019852
Energy: 1.4637367991957078
Energy: 1.596836589351825
Energy: 1.4634652825995653
Energy: 1.5968365893513725
Energy: 1.4637367991952552
Energy: 1.59683658935273
Energy: 1.5268085305615082
Energy: 1.5560859089140686
Energy: 1.5280699130082818
Energy: 1.5560859089136159
Energy: 1.5268085305610557
Energy: 1.5560859089140686
Energy: 1.599847168812625
Energy: 1.7157770970394286
Energy: 1.7096161646641848
Energy: 1.7157770970394286
Energy: 1.599847168812625
Energy: 1.7157770970394286
Energy: 1.709330339479345
Energy: 1.381905639099317
Energy: 1.709330339481608
Energy: 1.381905639099317
Energy: 1.709330339479345
Energy: 1.381905639099317
Energy: 1.4752312061630906
Energy: 1.4455672695433088
Energy: 1.4752312061639958
Energy: 1.445567269542856
Energy: 1.475231206162638
Energy: 1.445567269542404

minimum gb energy = 1.381905639099317 eV
minimum distance =  2.34081380319738 Angstroms
sigma value = 51


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

Energy: 1.5815457663538952
Energy: 1.608630972754703
Energy: 1.5815457663538952
Energy: 1.608630972754703
Energy: 1.5815457663538952
Energy: 1.608630972754703
Energy: 1.7015885413342127
Energy: 1.5245788681256267
Energy: 1.7015885413352612
Energy: 1.5245788681245784
Energy: 1.7015885413342127
Energy: 1.5245788681245784
Energy: 1.5141227014198373
Energy: 1.5822404782395112
Energy: 1.514122701418789
Energy: 1.58224047824056
Energy: 1.514122701418789
Energy: 1.5822404782395112
Energy: 1.5654259448085912
Energy: 1.4219164268066815
Energy: 1.5654259448085912
Energy: 1.4219164268077302
Energy: 1.5654259448085912
Energy: 1.4219164268077302
Energy: 1.6308679097971972
Energy: 1.5326855120523335
Energy: 1.6308679097971972
Energy: 1.5326855120523335
Energy: 1.6308679097971972
Energy: 1.5326855120523335
Energy: 1.619760268098653
Energy: 1.5317361694774092
Energy: 1.6197602680976046
Energy: 1.5317361694763607
Energy: 1.6197602680976046
Energy: 1.5317361694763607
Energy: 1.5788666130714764
Energy: 1.5312088235722523
Energy: 1.5788666130714764
Energy: 1.5312088235722523
Energy: 1.5788666130725248
Energy: 1.5312088235722523
Energy: 1.4725294054505593
Energy: 1.531835136185804
Energy: 1.4725294054505593
Energy: 1.531835136185804
Energy: 1.4725294054505593
Energy: 1.531835136185804
Energy: 1.808293043394589
Energy: 1.422226918543713
Energy: 1.8082930433935405
Energy: 1.422226918543713
Energy: 1.8082930433935405
Energy: 1.422226918543713
Energy: 1.4522597093403582
Energy: 1.7988521408412397
Energy: 1.4522597093393097
Energy: 1.7988521408433364
Energy: 1.4522597093403582
Energy: 1.7988521408412397
Energy: 1.6901207125622861
Energy: 1.4259250750929757
Energy: 1.6901207125612379
Energy: 1.4259250750940238
Energy: 1.6901207125612379
Energy: 1.4259250750929757
Energy: 1.5795169421719037
Energy: 1.6108736595992863
Energy: 1.5795169421729522
Energy: 1.6108736595992863
Energy: 1.5795169421719037
Energy: 1.6108736595992863
Energy: 1.75881086478292
Energy: 1.5394636823857457
Energy: 1.75881086478292
Energy: 1.5394636823857457
Energy: 1.7588108647818712
Energy: 1.5394636823857457
Energy: 1.5149251369171846
Energy: 1.4983071147601845
Energy: 1.5149251369171846
Energy: 1.4983071147591362
Energy: 1.5149251369171846
Energy: 1.4983071147591362
Energy: 1.6042617909612793
Energy: 1.5785553295990444
Energy: 1.6042617909612793
Energy: 1.5785553295969474
Energy: 1.6042617909612793
Energy: 1.5785553295990444
Energy: 1.6195176070529702
Energy: 1.5314604770835787
Energy: 1.619517607054019
Energy: 1.5314604770825304
Energy: 1.6195176070529702
Energy: 1.5314604770835787
Energy: 1.6196316843596874
Energy: 1.6714584492020086
Energy: 1.6196316843596874
Energy: 1.6714584492020086
Energy: 1.619631684358639
Energy: 1.6714584492020086
Energy: 1.570917630263582
Energy: 1.537137814896364
Energy: 1.570917630263582
Energy: 1.5371378148953156
Energy: 1.570917630263582
Energy: 1.537137814896364

minimum gb energy = 1.4219164268066815 eV
minimum distance =  2.25565482868884 Angstroms
sigma value = 19


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

Energy: 1.38661375929931
Energy: 1.4308579560088448
Energy: 1.3287838642270413
Energy: 1.4308579560088448
Energy: 1.38661375929931
Energy: 1.4308579560094383
Energy: 1.5926315981153214
Energy: 1.6054469913512692
Energy: 1.592631598116565
Energy: 1.6054469913512692
Energy: 1.592631598116565
Energy: 1.605446991351891
Energy: 1.331670849427492
Energy: 1.604691986115313
Energy: 1.331670849427492
Energy: 1.604691986115313
Energy: 1.331670849427492
Energy: 1.6046919861171787
Energy: 1.4764773652158927
Energy: 1.331785565947016
Energy: 1.4764773652165146
Energy: 1.331785565947016
Energy: 1.4764773652158927
Energy: 1.3317855659476379
Energy: 1.380844258862534
Energy: 1.3263250936080284
Energy: 1.380844258862534
Energy: 1.3263250936080284
Energy: 1.380844258862534
Energy: 1.3263250936080284
Energy: 1.3079281767891013
Energy: 1.3261973685637336
Energy: 1.307928176790345
Energy: 1.3261973685637336
Energy: 1.307928176789723
Energy: 1.3261973685637336
Energy: 1.3944984439103432
Energy: 1.331681728994304
Energy: 1.394498443910965
Energy: 1.331681728994304
Energy: 1.394498443910965
Energy: 1.3316817289949259
Energy: 1.331644162817324
Energy: 1.68061828408987
Energy: 1.3316445642162809
Energy: 1.68061828408987
Energy: 1.331644162817324
Energy: 1.680618284090492
Energy: 1.5312379445473712
Energy: 1.626620857668073
Energy: 1.531237944546749
Energy: 1.626620857668073
Energy: 1.5312379445473712
Energy: 1.626620857668073
Energy: 1.3287838642270413
Energy: 1.4308579560094383
Energy: 1.3287838642270413
Energy: 1.4308579560094383
Energy: 1.3287838642270413
Energy: 1.4308579560100603
Energy: 1.5926315981153214
Energy: 1.6054469913500253
Energy: 1.5926315981159433
Energy: 1.6054469913494034
Energy: 1.5926315981146995
Energy: 1.6054469913506473
Energy: 1.33167084942687
Energy: 1.604691986114691
Energy: 1.331670849427492
Energy: 1.604691986114691
Energy: 1.33167084942687
Energy: 1.6046919861165567
Energy: 1.476477365214649
Energy: 1.3317901903386402
Energy: 1.4764773652152707
Energy: 1.3317901903386402
Energy: 1.476477365214649
Energy: 1.3317901903386402
Energy: 1.380844258862534
Energy: 1.3263250936080284
Energy: 1.3808442588619123
Energy: 1.3263250936080284
Energy: 1.380844258862534
Energy: 1.3263250936086504
Energy: 1.307928176789723
Energy: 1.3261973685643558
Energy: 1.307928176790345
Energy: 1.3261973685643558
Energy: 1.307928176789723
Energy: 1.3261973685649777
Energy: 1.3944984439103432
Energy: 1.3316817289955478
Energy: 1.394498443910965
Energy: 1.3316817289955478
Energy: 1.3944984439103432
Energy: 1.3316817289961698
Energy: 1.3316654400262697
Energy: 1.680618284091114
Energy: 1.3316469451029838
Energy: 1.680618284090492
Energy: 1.3316654400262697
Energy: 1.6806182840917359
Energy: 1.5373542105983051
Energy: 1.626620857668073
Energy: 1.531237944546127
Energy: 1.626620857668073
Energy: 1.537354210597683
Energy: 1.626620857668695
Energy: 1.38661375929931
Energy: 1.4308579560094383
Energy: 1.3287838642270413
Energy: 1.4308579560094383
Energy: 1.38661375929931
Energy: 1.4308579560100603
Energy: 1.5926315981159433
Energy: 1.6054469913500253
Energy: 1.592631598116565
Energy: 1.6054469913500253
Energy: 1.5926315981146995
Energy: 1.6054469913506473
Energy: 1.33167084942687
Energy: 1.604691986115313
Energy: 1.331670849427492
Energy: 1.604691986115313
Energy: 1.33167084942687
Energy: 1.6046919861171787
Energy: 1.4764773652152707
Energy: 1.3317855659476379
Energy: 1.4764773652158927
Energy: 1.3317855659476379
Energy: 1.4764773652152707
Energy: 1.3317855659476379
Energy: 1.380844258862534
Energy: 1.3263250936080284
Energy: 1.380844258862534
Energy: 1.3263250936080284
Energy: 1.380844258862534
Energy: 1.3263250936086504
Energy: 1.307928176789723
Energy: 1.3261973685643558
Energy: 1.3079281767909672
Energy: 1.3261973685643558
Energy: 1.307928176789723
Energy: 1.3261973685649777
Energy: 1.3944984439115868
Energy: 1.331681728994304
Energy: 1.3944984439115868
Energy: 1.3316817289949259
Energy: 1.3944984439115868
Energy: 1.3316817289949259
Energy: 1.331644162816702
Energy: 1.680618284090492
Energy: 1.3316445642162809
Energy: 1.680618284090492
Energy: 1.331644162817324
Energy: 1.680618284090492
Energy: 1.5312379445479931
Energy: 1.626620857668073
Energy: 1.5312379445473712
Energy: 1.626620857668073
Energy: 1.5312379445473712
Energy: 1.626620857668695
Energy: 1.3287838642270413
Energy: 1.4308579560088448
Energy: 1.3287838642270413
Energy: 1.4308579560088448
Energy: 1.3287838642270413
Energy: 1.4308579560106822
Energy: 1.5926315981153214
Energy: 1.6054469913500253
Energy: 1.592631598117187
Energy: 1.6054469913500253
Energy: 1.592631598117187
Energy: 1.6054469913512692
Energy: 1.33167084942687
Energy: 1.604691986115313
Energy: 1.331670849428114
Energy: 1.604691986115313
Energy: 1.33167084942687
Energy: 1.6046919861171787

minimum gb energy = 1.3079281767891013 eV
minimum distance =  2.26445425541735 Angstroms
sigma value = 27


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

Energy: 1.2995982029351327
Energy: 1.2604458200254505
Energy: 1.2995982029351327
Energy: 1.2604458200254505
Energy: 1.2995982029351327
Energy: 1.260445820026974
Energy: 1.5381732770299148
Energy: 1.3090088647058795
Energy: 1.5381732770283914
Energy: 1.3090088647058795
Energy: 1.5381732770299148
Energy: 1.3090088647058795
Energy: 1.3815080679229024
Energy: 1.453259300030998
Energy: 1.2233366500029232
Energy: 1.453259300030998
Energy: 1.3815080679229024
Energy: 1.4532593000294742
Energy: 1.4286610338159358
Energy: 1.2239834173114694
Energy: 1.4286610338159358
Energy: 1.2239834173114694
Energy: 1.4286610338159358
Energy: 1.2239834173114694
Energy: 1.6841324194186635
Energy: 1.2239410314467039
Energy: 1.6841324194186635
Energy: 1.2239410314451806
Energy: 1.6841324194186635
Energy: 1.2239410314467039
Energy: 1.4734385381455457
Energy: 1.530491365231968
Energy: 1.473438538147069
Energy: 1.530491365231968
Energy: 1.4734385381455457
Energy: 1.530491365231968
Energy: 1.2243728453693499
Energy: 1.3104496230552314
Energy: 1.2243728453693499
Energy: 1.310449623053708
Energy: 1.2243728453678262
Energy: 1.310449623053708
Energy: 1.294700512196384
Energy: 1.2666736847349738
Energy: 1.294700512196384
Energy: 1.2666736847349738
Energy: 1.294700512196384
Energy: 1.2666736847349738
Energy: 1.6548733672063702
Energy: 1.344143571965146
Energy: 1.6548733672063702
Energy: 1.3441435993053432
Energy: 1.6548733672048468
Energy: 1.3441435951179084
Energy: 1.409882852845209
Energy: 1.4766926678261953
Energy: 1.409882852845209
Energy: 1.4766926678261953
Energy: 1.409882852845209
Energy: 1.4766926678261953
Energy: 1.3608052507809485
Energy: 1.2245846299841452
Energy: 1.3608052507809485
Energy: 1.2245846299841452
Energy: 1.3608052507809485
Energy: 1.2245846299841452
Energy: 1.5286454710951203
Energy: 1.3949358582414313
Energy: 1.528645471093597
Energy: 1.3949358582429545
Energy: 1.528645471093597
Energy: 1.3949358582429545

minimum gb energy = 1.2233366500029232 eV
minimum distance =  2.24740360296783 Angstroms
sigma value = 9


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

Energy: 1.2698502786988088
Energy: 1.234824406173831
Energy: 1.2698502786983807
Energy: 1.234824406172975
Energy: 1.2698502786983807
Energy: 1.234824406173831
Energy: 1.3290917609670816
Energy: 1.1620505685806342
Energy: 1.3290917609662256
Energy: 1.1957242892570878
Energy: 1.3290917609670816
Energy: 1.195724289257516
Energy: 1.1501888414621413
Energy: 1.3759366019809716
Energy: 1.1501888414625692
Energy: 1.37593660198354
Energy: 1.1501888414625692
Energy: 1.3759366019813999
Energy: 1.1439615608443834
Energy: 1.1103626312701351
Energy: 1.1439615608435272
Energy: 1.1103626312701351
Energy: 1.1439615608443834
Energy: 1.1103626312692787
Energy: 1.2441711582051653
Energy: 1.1913600587995508
Energy: 1.2441711582051653
Energy: 1.1913600587991229
Energy: 1.2441711582055934
Energy: 1.1913600587995508
Energy: 1.2770869653965857
Energy: 1.2751219443298667
Energy: 1.2770869653965857
Energy: 1.239710712600809
Energy: 1.2770869653965857
Energy: 1.239710712600809
Energy: 1.1726196854623268
Energy: 1.2999610268703286
Energy: 1.1726196854627549
Energy: 1.2999610268711848
Energy: 1.1726196854636108
Energy: 1.2999610268711848
Energy: 1.0829268046616871
Energy: 1.3480069277969042
Energy: 1.082926804661259
Energy: 1.348006927797332
Energy: 1.082926804661259
Energy: 1.348006927797332
Energy: 1.2579497473809245
Energy: 1.1922332836438292
Energy: 1.2579497473822085
Energy: 1.1922332836459697
Energy: 1.2579497473817802
Energy: 1.1922332836451133
Energy: 1.2745418069925702
Energy: 1.6026576398545462
Energy: 1.2745418069921424
Energy: 1.6026576398558303
Energy: 1.2745418069925702
Energy: 1.6026576398545462
Energy: 1.1442058566325888
Energy: 1.1164951178418772
Energy: 1.1442058566330169
Energy: 1.1164951178418772
Energy: 1.144205856632161
Energy: 1.1164951178414493
Energy: 1.1841442225132772
Energy: 1.3342351457763084
Energy: 1.184144222513705
Energy: 1.3342351457750241
Energy: 1.184144222513705
Energy: 1.334235145775452
Energy: 1.2112694170513278
Energy: 1.2331748803768738
Energy: 1.2112694170500438
Energy: 1.233174880376446
Energy: 1.2112694170504719
Energy: 1.233174880376446
Energy: 1.266645147100178
Energy: 1.644758662934571
Energy: 1.266645147100178
Energy: 1.6447586629341429
Energy: 1.26664514709975
Energy: 1.6447586629341429
Energy: 1.129888395616604
Energy: 1.2547729833528984
Energy: 1.129888395615748
Energy: 1.2547729833528984
Energy: 1.129888395615748
Energy: 1.2547729833528984
Energy: 1.1550076435966705
Energy: 1.1736731876665616
Energy: 1.1550076435962426
Energy: 1.1736731876669897
Energy: 1.1550076435962426
Energy: 1.1736731876665616
Energy: 1.4883228625707827
Energy: 1.1107212199136185
Energy: 1.4883228625716385
Energy: 1.1107212199136185
Energy: 1.4883228625712104
Energy: 1.1107212199127625
Energy: 1.142834479779967
Energy: 1.1911812709793832
Energy: 1.1428344797803949
Energy: 1.191181270978955
Energy: 1.142834479779967
Energy: 1.191181270978955
Energy: 1.0786893031591407
Energy: 1.569798299079621
Energy: 1.0786893031604248
Energy: 1.569798299079621
Energy: 1.0786893031595688
Energy: 1.569798299079621
Energy: 1.599600285574926
Energy: 1.3703407887908319
Energy: 1.5996002855736422
Energy: 1.4058940110257205
Energy: 1.59960028557407
Energy: 1.4058940110252924
Energy: 1.0785866907058999
Energy: 1.5695226890395384
Energy: 1.0785866907041877
Energy: 1.5695226890395384
Energy: 1.0785866907046158
Energy: 1.5695226890399665
Energy: 1.1424485915282938
Energy: 1.1911407035318515
Energy: 1.1424485915265816
Energy: 1.1911407035314232
Energy: 1.1424485915282938
Energy: 1.1911407035314232
Energy: 1.4884146244750376
Energy: 1.1106036399073134
Energy: 1.4884146244750376
Energy: 1.1106036399068855
Energy: 1.48841462447461
Energy: 1.1106036399056014
Energy: 1.1552882288538462
Energy: 1.2428311789690218
Energy: 1.1552882288547024
Energy: 1.24283117896945
Energy: 1.1552882288555584
Energy: 1.24283117896945
Energy: 1.1298525400214066
Energy: 1.2547056956925957
Energy: 1.1298525400214066
Energy: 1.2547056956925957
Energy: 1.1298525400209785
Energy: 1.2547056956930238
Energy: 1.2667750548147303
Energy: 1.3771355068696078
Energy: 1.2667750548147303
Energy: 1.3771355068700357
Energy: 1.2667750548147303
Energy: 1.3771355068696078
Energy: 1.211240060393846
Energy: 1.232673378098628
Energy: 1.2112400603929898
Energy: 1.2326733780982
Energy: 1.2112400603934177
Energy: 1.2326733780982
Energy: 1.1843512285106823
Energy: 1.2010842084759616
Energy: 1.1843512285098263
Energy: 1.2010842084759616
Energy: 1.1843512285102544
Energy: 1.2010842084763895
Energy: 1.14386502845016
Energy: 1.116304722310317
Energy: 1.1438650284505878
Energy: 1.116304722310317
Energy: 1.1438650284510157
Energy: 1.116304722310317
Energy: 1.274313623922744
Energy: 1.3489341301075761
Energy: 1.2743136239244561
Energy: 1.34893413010672
Energy: 1.274313623922316
Energy: 1.34893413010886
Energy: 1.258068176498767
Energy: 1.1920603572176842
Energy: 1.2580681764966268
Energy: 1.1920603572198243
Energy: 1.2580681764983388
Energy: 1.1920603572198243
Energy: 1.083216065491626
Energy: 1.3482141740362936
Energy: 1.0832160654924823
Energy: 1.3482141740362936
Energy: 1.0832160654920542
Energy: 1.3482141740362936
Energy: 1.1730549624519027
Energy: 1.2998114218532726
Energy: 1.1730549624514743
Energy: 1.2998114218532726
Energy: 1.1730549624527586
Energy: 1.299811421854129
Energy: 1.2780568099177936
Energy: 1.2426999037224842
Energy: 1.2780568099173657
Energy: 1.2426999037229123
Energy: 1.2780568099173657
Energy: 1.2426999037229123
Energy: 1.2444016418815844
Energy: 1.191299715624969
Energy: 1.2444016418811568
Energy: 1.191299715624969
Energy: 1.2444016418807284
Energy: 1.191299715624969
Energy: 1.1443801372244686
Energy: 1.1103833465964676
Energy: 1.144380137225286
Energy: 1.1103833465960398
Energy: 1.1443801372248579
Energy: 1.1103833465964676
Energy: 1.1501496141860126
Energy: 1.3759264278704875
Energy: 1.1501496141860126
Energy: 1.375926427864495
Energy: 1.1501496141855845
Energy: 1.3759264278717716
Energy: 1.329299620823853
Energy: 1.1172962015340224
Energy: 1.3292996208187167
Energy: 1.1172962015344505
Energy: 1.3292996208212848
Energy: 1.1172962015323105
Energy: 1.2698502786975248
Energy: 1.2348244061746874
Energy: 1.2698502786975248
Energy: 1.2348244061746874
Energy: 1.2698502786975248
Energy: 1.234824406172975
Energy: 1.32909176096965
Energy: 1.19572428925666
Energy: 1.32909176096965
Energy: 1.1957242892570878
Energy: 1.3290917609683657
Energy: 1.1957242892562319
Energy: 1.1501888414634254
Energy: 1.3759366019826837
Energy: 1.1501888414625692
Energy: 1.3759366019831119
Energy: 1.1501888414634254
Energy: 1.3759366019822559
Energy: 1.1439615608435272
Energy: 1.1103626312688508
Energy: 1.1439615608435272
Energy: 1.1103626312697068
Energy: 1.1439615608435272
Energy: 1.1103626312697068
Energy: 1.2441711582055934
Energy: 1.1913600587969826
Energy: 1.2441711582055934
Energy: 1.1913600587969826
Energy: 1.2441711582055934
Energy: 1.1913600587965547

minimum gb energy = 1.0785866907041877 eV
minimum distance =  2.31299313420129 Angstroms
sigma value = 57


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

Energy: 0.7049168253439899
Energy: 0.6921751652223312
Energy: 0.5479285030210223
Energy: 0.6921751652223312
Energy: 0.7049168253449642
Energy: 0.6921751652223312
Energy: 0.8422289435113453
Energy: 0.6991567491547586
Energy: 0.8422289435132939
Energy: 0.6991567491547586
Energy: 0.8422289435132939
Energy: 0.699156749155733
Energy: 0.7492492620198791
Energy: 1.384806093227998
Energy: 0.7492492620189047
Energy: 1.384806093227998
Energy: 0.7492492620198791
Energy: 1.3848060932299466
Energy: 0.6936213709926768
Energy: 0.5476206452807917
Energy: 0.6936213709926768
Energy: 0.5476206452807917
Energy: 0.6936213709926768
Energy: 0.547620645281766
Energy: 0.7067395411805343
Energy: 0.8472304625514605
Energy: 0.70673954117956
Energy: 0.8472304625514605
Energy: 0.70673954117956
Energy: 0.8472304625514605
Energy: 0.547783180760944
Energy: 0.7492975673834711
Energy: 0.5477831807619185
Energy: 0.7492975673834711
Energy: 0.547783180760944
Energy: 0.7492975673834711
Energy: 0.5477881716854891
Energy: 0.6168724598670317
Energy: 0.5477881716854891
Energy: 0.616872459865083
Energy: 0.5477881716854891
Energy: 0.6168724598660573
Energy: 0.8429712898700745
Energy: 0.7126718972352835
Energy: 0.8429712898691003
Energy: 0.7126718972352835
Energy: 0.8429712898700745
Energy: 0.7126718972362579
Energy: 0.6938063260626892
Energy: 0.5476119816522212
Energy: 0.6938063260636637
Energy: 0.5476119816522212
Energy: 0.6938063260626892
Energy: 0.5476119816531956
Energy: 0.6166984388426133
Energy: 0.8422545982743573
Energy: 0.6166984388435877
Energy: 0.8422545982743573
Energy: 0.6166984388416389
Energy: 0.8422545982753318
Energy: 0.7070220443861172
Energy: 0.6795791339879546
Energy: 0.7070220443880659
Energy: 0.6795791339879546
Energy: 0.7070220443861172
Energy: 0.6795791339869802
Energy: 0.7049168253449642
Energy: 0.6921751652233057
Energy: 0.5479285030210223
Energy: 0.6921751652233057
Energy: 0.7049168253449642
Energy: 0.6921751652223312
Energy: 0.8422289435113453
Energy: 0.699156749156663
Energy: 0.8422289435132939
Energy: 0.699156749155733
Energy: 0.8422289435123197
Energy: 0.6991567491576374
Energy: 0.7492492620198791
Energy: 1.3848060932289723
Energy: 0.7492492620189047
Energy: 1.3848060932289723
Energy: 0.7492492620198791
Energy: 1.3848060932289723
Energy: 0.6936213709917025
Energy: 0.5476206452798174
Energy: 0.6936213709917025
Energy: 0.5476206452798174
Energy: 0.6936213709907281
Energy: 0.5476206452798174
Energy: 0.70673954117956
Energy: 0.8472304625504861
Energy: 0.7067395411805343
Energy: 0.8472304625504861
Energy: 0.70673954117956
Energy: 0.8472304625495117
Energy: 0.547783180760944
Energy: 0.7492975673824966
Energy: 0.5477831807619185
Energy: 0.7492975673824966
Energy: 0.547783180760944
Energy: 0.7492975673834711
Energy: 0.5477881716854891
Energy: 0.6168724598670317
Energy: 0.5477881716854891
Energy: 0.6168724598670317
Energy: 0.5477881716845148
Energy: 0.6168724598670317
Energy: 0.8429712898691003
Energy: 0.7126718972362579
Energy: 0.8429712898691003
Energy: 0.7126718972362579
Energy: 0.8429712898700745
Energy: 0.7126718972372322

minimum gb energy = 0.5476119816522212 eV
minimum distance =  2.40782829339983 Angstroms
sigma value = 11


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

Energy: 1.1304324239022796
Energy: 1.1891243827407976
Energy: 1.1304324239008519
Energy: 1.189124382742225
Energy: 1.1304324239015655
Energy: 1.1891243827415114
Energy: 1.292933740342448
Energy: 1.1842030972352435
Energy: 1.2929337403438754
Energy: 1.1842030972352435
Energy: 1.2929337403431618
Energy: 1.1842030972359574
Energy: 1.2282850076141303
Energy: 1.6640934547583917
Energy: 1.2810560829851814
Energy: 1.6640934547591053
Energy: 1.2385606919207688
Energy: 1.6640934547591053
Energy: 1.4005153289921262
Energy: 1.0080210393062263
Energy: 1.4005153289921262
Energy: 1.0080210393062263
Energy: 1.4005153289914125
Energy: 1.0080210393062263
Energy: 1.1548223465122642
Energy: 0.9483381352817117
Energy: 1.1548223465115504
Energy: 0.9483381352817117
Energy: 1.1548223465122642
Energy: 0.9483381352817117
Energy: 1.1487845880611052
Energy: 1.083586252078844
Energy: 1.1487845880611052
Energy: 1.083586252078844
Energy: 1.1487845880646737
Energy: 1.0835862520795574
Energy: 0.9803701038377004
Energy: 1.1435372802494828
Energy: 0.9803701038377004
Energy: 1.1435372802501964
Energy: 0.9803701038369865
Energy: 1.1435372802523378
Energy: 1.1998129334140435
Energy: 0.9162564746697361
Energy: 1.1998129334133298
Energy: 0.9162564746704499
Energy: 1.1998129334140435
Energy: 0.9162564746697361
Energy: 1.1984132914388532
Energy: 0.9414985179702163
Energy: 1.1984132914388532
Energy: 0.9414985179695025
Energy: 1.1984132914395669
Energy: 0.9414985179695025
Energy: 0.936468373616341
Energy: 1.4371190470743256
Energy: 0.9364683736170549
Energy: 1.4371190470743256
Energy: 0.9364683736170549
Energy: 1.4371190470743256
Energy: 1.1745754190249469
Energy: 1.2629489931841145
Energy: 1.1745754190249469
Energy: 1.2629489931848283
Energy: 1.1745754190249469
Energy: 1.2629489931841145
Energy: 1.1571805239738002
Energy: 0.9493514877651498
Energy: 1.1571805239730864
Energy: 0.9493514877651498
Energy: 1.1571805239745139
Energy: 0.9493514877651498
Energy: 1.2319499889715904
Energy: 1.0134748594214276
Energy: 1.2319499889708765
Energy: 1.0134748594214276
Energy: 1.2319499889708765
Energy: 1.0134748594221414
Energy: 1.3062050227823163
Energy: 1.6054631257975938
Energy: 1.3062050227823163
Energy: 1.6054631257968799
Energy: 1.3062050227816027
Energy: 1.6054631257968799
Energy: 1.2635660393876271
Energy: 1.182815027251118
Energy: 1.2635660393883408
Energy: 1.182815027251118
Energy: 1.2635660393876271
Energy: 1.1828150272504043
Energy: 1.0369512097475098
Energy: 1.1903554666625322
Energy: 1.0369512097460822
Energy: 1.1903554666625322
Energy: 1.0369512097489373
Energy: 1.1903554666625322
Energy: 1.0739136415979982
Energy: 1.1556322354056094
Energy: 1.0739136415972843
Energy: 1.1556322354063233
Energy: 1.0739136415972843
Energy: 1.1556322354063233
Energy: 1.4960932840271632
Energy: 1.5859905233361178
Energy: 1.4960932840264498
Energy: 1.5859905233375453
Energy: 1.4960932840264498
Energy: 1.5859905233368317
Energy: 1.155717447800422
Energy: 1.0034799575266906
Energy: 1.1557174477982806
Energy: 1.0034799575266906
Energy: 1.155717447797567
Energy: 1.0034799575252633
Energy: 1.1564719649093695
Energy: 1.091512206407461
Energy: 1.156471964910797
Energy: 1.0915122064081746
Energy: 1.1564719649100834
Energy: 1.091512206407461
Energy: 0.9379774951186317
Energy: 1.084822386882068
Energy: 0.9379774951179178
Energy: 1.084822386882068
Energy: 0.9379774951186317
Energy: 1.0848223868827815
Energy: 1.0153672660847166
Energy: 1.364411917896649
Energy: 1.0153672660854305
Energy: 1.3644119177875118
Energy: 1.0153672660847166
Energy: 1.3644119178502558
Energy: 1.1244985057805008
Energy: 1.1180576824931066
Energy: 1.1244985057805008
Energy: 1.1180576824938204
Energy: 1.1244985057812142
Energy: 1.1180576824938204
Energy: 1.19974495128116
Energy: 1.051648329680043
Energy: 1.1997449512797325
Energy: 1.051648329680043
Energy: 1.1997449512797325
Energy: 1.051648329680043
Energy: 0.9377977778785749
Energy: 1.4330370722558023
Energy: 0.9377977778792884
Energy: 1.4330370722558023
Energy: 0.937797777877861
Energy: 1.4330370722558023
Energy: 1.6787801610493494
Energy: 1.2624479214754711
Energy: 1.6787801610493494
Energy: 1.2624479214754711
Energy: 1.6787801610486357
Energy: 1.2624479214768984

minimum gb energy = 0.9162564746697361 eV
minimum distance =  2.29633521192512 Angstroms
sigma value = 41


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

Energy: 1.2849928593863504
Energy: 1.0994728748241696
Energy: 1.2849928593863504
Energy: 1.0994728748241696
Energy: 1.2849928593852253
Energy: 1.0994728748247322
Energy: 1.350657323537759
Energy: 1.3892037930856107
Energy: 1.350657323537759
Energy: 1.3892037930856107
Energy: 1.3506573235371964
Energy: 1.3892037930856107
Energy: 1.657047283943047
Energy: 1.5768641676406314
Energy: 1.657047283943047
Energy: 1.5768641676406314
Energy: 1.657047283943047
Energy: 1.576864167639506
Energy: 1.3068464604582006
Energy: 1.0536729821387505
Energy: 1.3068464604582006
Energy: 1.0536729821381878
Energy: 1.3068464604582006
Energy: 1.0536729821381878
Energy: 1.0232859549247704
Energy: 1.105833699023375
Energy: 1.0232859549242077
Energy: 1.105833699023375
Energy: 1.0232859549247704
Energy: 1.105833699023375
Energy: 1.3250075744817578
Energy: 1.3078221288625318
Energy: 1.3250075744823204
Energy: 1.3078221288625318
Energy: 1.3250075744823204
Energy: 1.3078221288625318
Energy: 1.0654552400088353
Energy: 1.4655633159087869
Energy: 1.0654552400088353
Energy: 1.4655633159082244
Energy: 1.0654552400093977
Energy: 1.4655633159082244
Energy: 1.0420286233998162
Energy: 1.053434018058233
Energy: 1.0420286234003786
Energy: 1.053434018058233
Energy: 1.0420286234003786
Energy: 1.053434018058233
Energy: 1.0352602321119415
Energy: 1.0838360336155082
Energy: 1.035260232111379
Energy: 1.0838360336155082
Energy: 1.0352602321119415
Energy: 1.0838360336155082
Energy: 1.1618568052587828
Energy: 1.278071736505852
Energy: 1.16185680525822
Energy: 1.2780717365019143
Energy: 1.16185680525822
Energy: 1.2780717365019143
Energy: 1.1480729543735562
Energy: 1.277115952752704
Energy: 1.1480729543746813
Energy: 1.2771159527510165
Energy: 1.1480729543729937
Energy: 1.2771159527510165
Energy: 1.0446794673367212
Energy: 1.247054566279422
Energy: 1.0446794673367212
Energy: 1.247054566279422
Energy: 1.0446794673367212
Energy: 1.247054566279422
Energy: 1.0304643315219988
Energy: 1.0836508257678394
Energy: 1.0304643315225614
Energy: 1.083650825768402
Energy: 1.0304643315219988
Energy: 1.083650825768402
Energy: 0.991202910829057
Energy: 1.1725655883497275
Energy: 0.991202910829057
Energy: 1.1725655883514152
Energy: 0.991202910829057
Energy: 1.1725655883491648
Energy: 1.3216068503251142
Energy: 1.3070801500219937
Energy: 1.3216068503262395
Energy: 1.3070801500214309
Energy: 1.3216068503251142
Energy: 1.3070801500214309
Energy: 1.030411006122126
Energy: 1.2692150526334045
Energy: 1.0304110061215637
Energy: 1.269215052632842
Energy: 1.0304110061226888
Energy: 1.269215052632842
Energy: 1.0433677400155867
Energy: 1.0834996801603924
Energy: 1.0433677400150243
Energy: 1.0834996801603924
Energy: 1.0433677400155867
Energy: 1.0834996801603924
Energy: 1.3008162465746245
Energy: 1.5774951495309355
Energy: 1.3008162465746245
Energy: 1.5774951495309355
Energy: 1.3008162465751871
Energy: 1.5774951495314977
Energy: 1.3788482152468045
Energy: 1.3846780163811125
Energy: 1.3788482152473671
Energy: 1.384678016381675
Energy: 1.3788482152468045
Energy: 1.384678016381675
Energy: 1.1469845265145606
Energy: 1.425873893016404
Energy: 1.1469845265134357
Energy: 1.425873893016404
Energy: 1.146984526513998
Energy: 1.4258738930158414
Energy: 1.036206120744268
Energy: 1.3813320311717452
Energy: 1.036206120744268
Energy: 1.3813320311717452
Energy: 1.0362061207448305
Energy: 1.3813320311717452
Energy: 1.6547953464394327
Energy: 1.425979888881323
Energy: 1.6547953464388705
Energy: 1.4259798888807604
Energy: 1.6547953464388705
Energy: 1.425979888880198
Energy: 1.2418571532299285
Energy: 1.0522336130891
Energy: 1.241857153230491
Energy: 1.0522336130896623
Energy: 1.2418571532299285
Energy: 1.0522336130896623
Energy: 1.0306223624534614
Energy: 1.4207268838170228
Energy: 1.0306223624528987
Energy: 1.4207268838164604
Energy: 1.0306223624534614
Energy: 1.4207268838170228
Energy: 1.000359870906577
Energy: 1.4765354268723911
Energy: 1.0003598709060146
Energy: 1.4765354268723911
Energy: 1.000359870906577
Energy: 1.4765354268729538
Energy: 1.0656404826592687
Energy: 1.0658053191062067
Energy: 1.0656404826581436
Energy: 1.065805319105644
Energy: 1.0656404826592687
Energy: 1.065805319105644
Energy: 1.0329835850051754
Energy: 1.051710841633523
Energy: 1.0329835850063005
Energy: 1.051710841633523
Energy: 1.032983585005738
Energy: 1.0517108416340855
Energy: 1.0350093501927156
Energy: 1.3796872312126358
Energy: 1.035009350192153
Energy: 1.3796872312131983
Energy: 1.0350093501927156
Energy: 1.3796872312126358
Energy: 1.1470417173342653
Energy: 1.4233971939568033
Energy: 1.1470417173342653
Energy: 1.4233971939568033
Energy: 1.147041717334828
Energy: 1.4233971939568033
Energy: 1.2584046377394118
Energy: 0.9906438859625257
Energy: 1.258404637739974
Energy: 0.9906438859630883
Energy: 1.2584046377388491
Energy: 0.9906438859630883
Energy: 1.0176823004983402
Energy: 1.2428977214239125
Energy: 1.0176823004983402
Energy: 1.2428977214239125
Energy: 1.0176823004983402
Energy: 1.2428977214239125
Energy: 1.0552389001317033
Energy: 1.0770566348924853
Energy: 1.0552389001317033
Energy: 1.0770566348919226
Energy: 1.0552389001317033
Energy: 1.0770566348924853
Energy: 0.9995803359774367
Energy: 1.266614021946918
Energy: 0.9995803359779992
Energy: 1.266614021946918
Energy: 0.9995803359774367
Energy: 1.266614021946918

minimum gb energy = 0.9906438859625257 eV
minimum distance =  2.33126769249711 Angstroms
sigma value = 33


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

Energy: 1.2070221511394503
Energy: 1.1303212883508176
Energy: 1.2070221511398094
Energy: 1.1303212883504585
Energy: 1.2070221511394503
Energy: 1.1303212883516072
Energy: 1.5315941009715204
Energy: 1.0700012251733617
Energy: 1.5315941009715204
Energy: 1.0700012251733617
Energy: 1.5315941009707306
Energy: 1.0700012251733617
Energy: 1.5001286325336969
Energy: 1.3139367922114924
Energy: 1.5001286325341272
Energy: 1.3139367922107028
Energy: 1.5001286325344865
Energy: 1.3139367922114924
Energy: 1.162298164680313
Energy: 1.086313575937059
Energy: 1.1622981646790924
Energy: 1.086313575937059
Energy: 1.162298164680313
Energy: 1.086313575937059
Energy: 1.1090932608464315
Energy: 1.1666638791306296
Energy: 1.1090932608464315
Energy: 1.1666638791353674
Energy: 1.1090932608472213
Energy: 1.166663879125892
Energy: 1.494847659988389
Energy: 1.1196632314392612
Energy: 1.4948476599891787
Energy: 1.1196632314384716
Energy: 1.4948476599891787
Energy: 1.1196632314389023
Energy: 1.1404760382877042
Energy: 1.2650757328293258
Energy: 1.1404760382889245
Energy: 1.2650757328277469
Energy: 1.1404760382892836
Energy: 1.2650757328245883
Energy: 1.193510723145022
Energy: 1.2303236302430156
Energy: 1.1935107231438735
Energy: 1.2303236302438054
Energy: 1.193510723144663
Energy: 1.2303236302430156
Energy: 1.150259221164259
Energy: 1.1348408463743778
Energy: 1.1502592211634697
Energy: 1.1348408463743778
Energy: 1.150259221164259
Energy: 1.1348408463743778
Energy: 1.550283053581535
Energy: 1.108672758972078
Energy: 1.5502830535803145
Energy: 1.108672758971647
Energy: 1.5502830535803145
Energy: 1.108672758971647
Energy: 1.193474931951782
Energy: 1.1936994474534952
Energy: 1.193474931949772
Energy: 1.1936994474539258
Energy: 1.1934749319502027
Energy: 1.1936994474534952
Energy: 1.7589338420815925
Energy: 1.08598795463587
Energy: 1.7589338420815925
Energy: 1.0859879546350804
Energy: 1.7589338420815925
Energy: 1.0859879546350804
Energy: 1.140484210968089
Energy: 1.2265425281423323
Energy: 1.140484210968089
Energy: 1.2265425281530278
Energy: 1.1404842109672995
Energy: 1.226542528148649
Energy: 1.2405276901306845
Energy: 1.1958314707299476
Energy: 1.240527690131474
Energy: 1.1958314707295887
Energy: 1.2405276901306845
Energy: 1.195831470729158
Energy: 1.2306185256523559
Energy: 1.1412945592546933
Energy: 1.2306185256523559
Energy: 1.1412945592551236
Energy: 1.2306185256523559
Energy: 1.1412945592546933
Energy: 1.1211944350909304
Energy: 1.4977265556862736
Energy: 1.1211944350912892
Energy: 1.4977265556862736
Energy: 1.1211944350912892
Energy: 1.4977265556866324
Energy: 1.4363632080223403
Energy: 1.1148175320421938
Energy: 1.4363632080254989
Energy: 1.1148175320426241
Energy: 1.4363632080168132
Energy: 1.1148175320429832
Energy: 1.0825223780013358
Energy: 1.1643474423541589
Energy: 1.0825223780013358
Energy: 1.1643474423537283
Energy: 1.082522378000905
Energy: 1.1643474423521492
Energy: 1.5494216023032223
Energy: 1.5014555128956866
Energy: 1.5494216023036531
Energy: 1.5014555128956866
Energy: 1.5494216023040122
Energy: 1.5014555128952558
Energy: 1.7381010833838457
Energy: 1.137576352810079
Energy: 1.7381010833842048
Energy: 1.137576352810079
Energy: 1.7381010833842048
Energy: 1.137576352810079
Energy: 1.0874284921005446
Energy: 1.2080822137649565
Energy: 1.087428492099755
Energy: 1.2080822137653153
Energy: 1.0874284921005446
Energy: 1.2080822137649565
Energy: 1.0676126448768655
Energy: 1.2541344443519982
Energy: 1.0676126448780137
Energy: 1.2541344443519982
Energy: 1.0676126448784446
Energy: 1.2541344443519982
Energy: 1.2309405779329758
Energy: 1.4273847136003868
Energy: 1.2309405779333347
Energy: 1.4273847135995972
Energy: 1.2309405779333347
Energy: 1.4273847136003868
Energy: 1.085239997627141
Energy: 1.4735172859873005
Energy: 1.0852399976282894
Energy: 1.4735172859868697
Energy: 1.0852399976259206
Energy: 1.4735172859868697
Energy: 1.0856925164190658
Energy: 1.114737824794901
Energy: 1.085692516420645
Energy: 1.114737824794901
Energy: 1.0856925164198554
Energy: 1.1147378247937525
Energy: 1.1187824262267763
Energy: 1.4947754519766385
Energy: 1.118782426227135
Energy: 1.4947754519766385
Energy: 1.1187824262267763
Energy: 1.494775451975849
Energy: 1.250853827299496
Energy: 1.143109305703412
Energy: 1.2508538272982757
Energy: 1.143109305703412
Energy: 1.2508538272987064
Energy: 1.1431093057037711
Energy: 1.2026780425190884
Energy: 1.091294969670688
Energy: 1.2026780425182988
Energy: 1.091294969670257
Energy: 1.2026780425187296
Energy: 1.0912949696698984
Energy: 1.1365210243868713
Energy: 1.2262939861260298
Energy: 1.1365210243865123
Energy: 1.2262939861402427
Energy: 1.1365210243868713
Energy: 1.2262939861118172
Energy: 1.1018694773561037
Energy: 1.5493122425863382
Energy: 1.1018694773553142
Energy: 1.5493122425863382
Energy: 1.1018694773564623
Energy: 1.5493122425863382
Energy: 1.1611570438884915
Energy: 1.0827762070702727
Energy: 1.1611570438889223
Energy: 1.0827762070702727
Energy: 1.1611570438889223
Energy: 1.0827762070706315
Energy: 1.084803531846022
Energy: 1.761124802121597
Energy: 1.0848035318448737
Energy: 1.761124802121597
Energy: 1.0848035318448737
Energy: 1.761124802121956
Energy: 1.7387178934505338
Energy: 1.142865300541524
Energy: 1.738717893449744
Energy: 1.1428653005411646
Energy: 1.7387178934501029
Energy: 1.1428653005411646
Energy: 1.1926287071083834
Energy: 1.233215416901121
Energy: 1.192628707109173
Energy: 1.2332154169014797
Energy: 1.1926287071099626
Energy: 1.2332154169019105
Energy: 1.1925448941272032
Energy: 1.2332391289551758
Energy: 1.1925448941228964
Energy: 1.2332391289551758
Energy: 1.1925448941311514
Energy: 1.2332391289539555
Energy: 1.7393832358763461
Energy: 1.1428695364623576
Energy: 1.7393832358763461
Energy: 1.1428695364627164
Energy: 1.7393832358751258
Energy: 1.1428695364631472
Energy: 1.0845239126883575
Energy: 1.7610530072018997
Energy: 1.0845239126867785
Energy: 1.7610530072015407
Energy: 1.0845239126883575
Energy: 1.7610530072023303
Energy: 1.1611334991430722
Energy: 1.0828275095513369
Energy: 1.1611334991427134
Energy: 1.0828275095517674
Energy: 1.1611334991435027
Energy: 1.0828275095513369
Energy: 1.1018169127506776
Energy: 1.5493385353897848
Energy: 1.1018169127498882
Energy: 1.5493385353889952
Energy: 1.1018169127514674
Energy: 1.5493385353905744
Energy: 1.1365012974686801
Energy: 1.2259574652873064
Energy: 1.1365012974691107
Energy: 1.225957465286517
Energy: 1.1365012974694695
Energy: 1.225957465286517
Energy: 1.2027117280262343
Energy: 1.0913524753927517
Energy: 1.2027117280262343
Energy: 1.0913524753931825
Energy: 1.2027117280262343
Energy: 1.0913524753927517
Energy: 1.2519732745786416
Energy: 1.1430435816471973
Energy: 1.2519732745794314
Energy: 1.1430435816471973
Energy: 1.2519732745790724
Energy: 1.1430435816471973
Energy: 1.1185895870587017
Energy: 1.4942889422365822
Energy: 1.1185895870599218
Energy: 1.4942889422361514
Energy: 1.118589587059132
Energy: 1.4942889422361514
Energy: 1.0859985083653951
Energy: 1.114983800664562
Energy: 1.085998508363816
Energy: 1.1149838006649209
Energy: 1.0859985083586476
Energy: 1.114983800664562
Energy: 1.0848412634985414
Energy: 1.4734318812997058
Energy: 1.0848412635001208
Energy: 1.4734318812957576
Energy: 1.0848412634989002
Energy: 1.473431881297696
Energy: 1.231181979937437
Energy: 1.4272894579901672
Energy: 1.231181979937437
Energy: 1.4272894579893776
Energy: 1.2311819799367192
Energy: 1.4272894579893776
Energy: 1.0672656413148431
Energy: 1.2541314936363739
Energy: 1.067265641314484
Energy: 1.2541314936411112
Energy: 1.0672656413148431
Energy: 1.2541314936430494

minimum gb energy = 1.067265641314484 eV
minimum distance =  2.32061210368186 Angstroms
sigma value = 67


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

Energy: 1.2035886014994819
Energy: 1.127084839630801
Energy: 1.2035886014994819
Energy: 1.127084839630801
Energy: 1.2035886014994819
Energy: 1.127084839630801
Energy: 1.13379173097688
Energy: 1.0954560922718375
Energy: 1.13379173097688
Energy: 1.0954560922718375
Energy: 1.13379173097688
Energy: 1.0954560922718375
Energy: 1.7180002480382337
Energy: 1.4529498577837914
Energy: 1.7180002480382337
Energy: 1.4529498577864302
Energy: 1.7180002480382337
Energy: 1.4529498577864302
Energy: 1.1338044358814894
Energy: 1.0954569408915615
Energy: 1.1338044358814894
Energy: 1.0954569408915615
Energy: 1.1338044358814894
Energy: 1.0954569408915615
Energy: 1.203588601496843
Energy: 1.127084839630801
Energy: 1.203588601496843
Energy: 1.127084839630801
Energy: 1.203588601496843
Energy: 1.127084839630801
Energy: 1.13379173097688
Energy: 1.095456092274476
Energy: 1.13379173097688
Energy: 1.0954560922718375
Energy: 1.13379173097688
Energy: 1.0954560922718375
Energy: 1.0885152538918124
Energy: 1.4529498577864302
Energy: 1.088515253894451
Energy: 1.4529498577837914
Energy: 1.088515253894451
Energy: 1.4529498577837914

minimum gb energy = 1.0885152538918124 eV
minimum distance =  2.33856333251268 Angstroms
sigma value = 3


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

Energy: 1.7220897612593729
Energy: 1.2888255376342963
Energy: 1.7220897612593729
Energy: 1.2888255376342963
Energy: 1.7220897612593729
Energy: 1.2888255376342963
Energy: 1.4011372649717702
Energy: 1.2527262556443401
Energy: 1.4011372649717702
Energy: 1.2527262556443401
Energy: 1.4011372649717702
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Energy: 1.5337765625206714
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Energy: 1.5337765625206714
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Energy: 1.384470508426688
Energy: 1.4380678769793755
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Energy: 1.4380678769793755
Energy: 1.384470508426688
Energy: 1.4380678769793755
Energy: 1.2801064202834833
Energy: 1.4409088794923837
Energy: 1.2801064202834833
Energy: 1.4409088794923837
Energy: 1.2801064202834833
Energy: 1.440908879488793
Energy: 1.5814683148341846
Energy: 1.209462657795319
Energy: 1.5814683148341846
Energy: 1.209462657791728
Energy: 1.5814683148341846
Energy: 1.209462657795319
Energy: 1.2603372579324261
Energy: 1.6645493029991274
Energy: 1.2603372579324261
Energy: 1.6645493029991274
Energy: 1.2603372579324261
Energy: 1.6645493029991274
Energy: 1.5300058626372175
Energy: 1.2516971004735071
Energy: 1.5300058626372175
Energy: 1.2516971004770976
Energy: 1.5300058626372175
Energy: 1.2516971004770976
Energy: 1.3900661871994695
Energy: 1.3409688156415343
Energy: 1.3900661871994695
Energy: 1.3409688156379438
Energy: 1.3900661871994695
Energy: 1.3409688156415343
Energy: 1.553304633293748
Energy: 1.2584433990755735
Energy: 1.5533046332901572
Energy: 1.2584433990755735
Energy: 1.5533046332901572
Energy: 1.2584433990755735
Energy: 1.347405307727793
Energy: 1.4036046968940774
Energy: 1.3474053077313837
Energy: 1.4036046968904867
Energy: 1.3474053077313837
Energy: 1.4036046968833056
Energy: 1.3448941528683551
Energy: 1.2614812805998217
Energy: 1.3448941528683551
Energy: 1.2614812805998217
Energy: 1.3448941528683551
Energy: 1.2614812805998217
Energy: 1.2799311012749925
Energy: 1.3505927221871088
Energy: 1.2799311012749925
Energy: 1.3505927221835181
Energy: 1.2799311012785832
Energy: 1.3505927221871088
Energy: 1.4094682511295182
Energy: 1.3972351859391738
Energy: 1.4094682511295182
Energy: 1.3972351859391738
Energy: 1.409468251133109
Energy: 1.3972351859355834
Energy: 1.3868961537490354
Energy: 1.451714643461268
Energy: 1.3868961537490354
Energy: 1.4517146434648587
Energy: 1.3868961537490354
Energy: 1.4517146434576775

minimum gb energy = 1.2028926635839992 eV
minimum distance =  2.26479024683856 Angstroms
sigma value = 81


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

Energy: 1.4012130372167295
Energy: 1.3397982573600904
Energy: 1.3299450999650368
Energy: 1.3397982573635399
Energy: 1.4012130372172225
Energy: 1.3397982573635399
Energy: 1.2790667788904666
Energy: 1.4471225634540468
Energy: 1.2790667788909593
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Energy: 1.279066778891452
Energy: 1.4471225634515827
Energy: 1.6522184750107047
Energy: 1.2059948638939202
Energy: 1.4499382430453367
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Energy: 1.2882931645702207
Energy: 1.431936659589062
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Energy: 1.3391660060668096
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Energy: 1.208791292891255
Energy: 1.2603199415283812
Energy: 1.20618068752338
Energy: 1.2603199415293669
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Energy: 1.1807825848002822
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Energy: 1.3429563858121838
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Energy: 1.3429563858136622
Energy: 1.3899246325879584
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Energy: 1.3424707229574566
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Energy: 1.432300862500881
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Energy: 1.4323008625018667
Energy: 1.4989474010746455
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Energy: 1.3429622777764438
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Energy: 1.1809106496331012
Energy: 1.2053852440661197
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Energy: 1.2756227307095223
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Energy: 1.557555307136025
Energy: 1.3897491213831368
Energy: 1.5575553071355324
Energy: 1.389749121385108
Energy: 1.5575553071350394
Energy: 1.2073105715188739
Energy: 1.660301481116672
Energy: 1.2073105715193666
Energy: 1.6603014811161791
Energy: 1.207310571521338
Energy: 1.6603014811161791
Energy: 1.244658323368401
Energy: 1.2913297873780836
Energy: 1.2446583233698794
Energy: 1.2913297873810405
Energy: 1.2446583233703723
Energy: 1.2913297873815333
Energy: 1.3440999885831615
Energy: 1.2066108523452905
Energy: 1.3440999885841471
Energy: 1.2066108523457835
Energy: 1.3440999885831615
Energy: 1.2066108523457835
Energy: 1.3407695825946528
Energy: 1.278947394940176
Energy: 1.3404666064192292
Energy: 1.278947394940669
Energy: 1.3407695825941601
Energy: 1.278947394940669
Energy: 1.2068104476039614
Energy: 1.2273354269480252
Energy: 1.206810447604947
Energy: 1.227335426950982
Energy: 1.20681044760199
Energy: 1.2273354269504892
Energy: 1.4321717309200268
Energy: 1.4692300010284276
Energy: 1.4321717309210125
Energy: 1.4692300010284276
Energy: 1.4321717309215052
Energy: 1.4692300010279349
Energy: 1.2088507225831928
Energy: 1.3434110671660324
Energy: 1.2088507225827
Energy: 1.3434110671655397
Energy: 1.2088507225822072
Energy: 1.3434110671660324
Energy: 1.2057505656068004
Energy: 1.2618555408838568
Energy: 1.2057505656072933
Energy: 1.261855540882871
Energy: 1.205750565607786
Energy: 1.2618555408823782
Energy: 1.2071841282175848
Energy: 1.1789097296532383
Energy: 1.2071841282185705
Energy: 1.1789097296512672
Energy: 1.207184128217092
Energy: 1.1789097296512672
Energy: 1.4473370933246303
Energy: 1.8496903119719408
Energy: 1.4473201204494721
Energy: 1.8496903119734196
Energy: 1.4473370933266017
Energy: 1.8496903119729267
Energy: 1.5018423633160967
Energy: 1.4347553409221194
Energy: 1.5018423633170823
Energy: 1.4347553409245837
Energy: 1.5018423633190539
Energy: 1.434755340923105
Energy: 1.3405122399182356
Energy: 1.208757666103953
Energy: 1.3405122399187284
Energy: 1.2087576661019817
Energy: 1.340512239919221
Energy: 1.208757666101489
Energy: 1.2495319156730915
Energy: 1.205564709783457
Energy: 1.2495319156735842
Energy: 1.2055647097844426
Energy: 1.2495319156730915
Energy: 1.2055647097844426

minimum gb energy = 1.1789097296512672 eV
minimum distance =  2.36485273355418 Angstroms
sigma value = 43


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

Energy: 1.5612307447889033
Energy: 1.3134415082655932
Energy: 1.5612307447889033
Energy: 1.3134415082655932
Energy: 1.5612307447889033
Energy: 1.3134415082655932
Energy: 1.3726460243067957
Energy: 1.2425614878173816
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Energy: 1.3726460243061904
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Energy: 1.3945451961024284
Energy: 1.6327503638503242
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Energy: 1.2948017153600382
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Energy: 1.2823147533953565
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Energy: 1.4987671096012516
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Energy: 1.2867219817889464
Energy: 1.3170350381884943
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Energy: 1.317035038187889
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Energy: 1.3170350381884943
Energy: 1.3983692093399733
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Energy: 1.3983692093405788
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Energy: 1.3983692093399733
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Energy: 1.218747233973751
Energy: 1.5440655328253394
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Energy: 1.31611270640927
Energy: 1.3482084316337022
Energy: 1.316112706411691
Energy: 1.3482084316337022
Energy: 1.3161127064104805
Energy: 1.3482084316343075
Energy: 1.5066874103229266
Energy: 1.4002934612899136
Energy: 1.5066874103223213
Energy: 1.4002934612899136
Energy: 1.5066874103229266
Energy: 1.4002934612905191
Energy: 1.4198454573117765
Energy: 1.2433630110326153
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Energy: 1.2433630110326153
Energy: 1.4198454573111712
Energy: 1.2433630110332206
Energy: 1.5032872154179109
Energy: 1.3147794926710534
Energy: 1.5032872154185162
Energy: 1.3147794926710534
Energy: 1.5032872154179109
Energy: 1.314779492670448
Energy: 1.4426151215002783
Energy: 1.2719009878465182
Energy: 1.4426151215002783
Energy: 1.2719009878471235
Energy: 1.4426151215002783
Energy: 1.2719009878477285
Energy: 1.4184879823287775
Energy: 1.2422738604250465
Energy: 1.418487982328172
Energy: 1.2422738604262573
Energy: 1.4184879823293552
Energy: 1.242273860427468
Energy: 1.3225811707253197
Energy: 1.4251044335436067
Energy: 1.3225811707253197
Energy: 1.4251044335436067
Energy: 1.3225811707253197
Energy: 1.4251044335436067
Energy: 1.4306623657690405
Energy: 1.3858675193180365
Energy: 1.4306623657690405
Energy: 1.3858675193180365
Energy: 1.4306623657690405
Energy: 1.3858675193180365
Energy: 1.2187739638362904
Energy: 1.484345904217737
Energy: 1.2187739638362904
Energy: 1.484345904217737
Energy: 1.218773963836896
Energy: 1.484345904217737
Energy: 1.404432672528295
Energy: 1.331263283611144
Energy: 1.4044326725276899
Energy: 1.3312632836135654
Energy: 1.404432672528295
Energy: 1.33126328361296
Energy: 1.2865521973997183
Energy: 1.2792448872855975
Energy: 1.2865521973997183
Energy: 1.2792448872855975
Energy: 1.2865521973997183
Energy: 1.2792448872855975
Energy: 1.4303775040228057
Energy: 1.3909403072655284
Energy: 1.4303775040234108
Energy: 1.3909403072649231
Energy: 1.4303775040228057
Energy: 1.3909403072655284
Energy: 1.3491584180081326
Energy: 1.4668875995463084
Energy: 1.3491584180075273
Energy: 1.4668875995463084
Energy: 1.3491584180075273
Energy: 1.4668875995463084
Energy: 1.4628281544410577
Energy: 1.225880767158023
Energy: 1.4628281544404524
Energy: 1.2258807671586283
Energy: 1.4628281544410577
Energy: 1.2258807671586283
Energy: 1.286381060734626
Energy: 1.3999243658651037
Energy: 1.286381060734021
Energy: 1.3999243658657092
Energy: 1.286381060734626
Energy: 1.3999243658657092
Energy: 1.3627183378766061
Energy: 1.3923492790994734
Energy: 1.3627183378711583
Energy: 1.3923492790994734
Energy: 1.3627183378760008
Energy: 1.3923492790988683
Energy: 1.2827807267022406
Energy: 1.3304139776045354
Energy: 1.2827807267028462
Energy: 1.3304139776039299
Energy: 1.2827807267016353
Energy: 1.3304139776045354

minimum gb energy = 1.2187472339731458 eV
minimum distance =  2.3163221654445 Angstroms
sigma value = 57


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

Energy: 1.4913013859505906
Energy: 1.3176283644151765
Energy: 1.4028678661412695
Energy: 1.3176283644159605
Energy: 1.4913013859513744
Energy: 1.3176283644159605
Energy: 1.4398324210376663
Energy: 1.2628103392792585
Energy: 1.43983242103845
Energy: 1.2628103392784746
Energy: 1.4398324210400175
Energy: 1.2628103392784746
Energy: 1.527249905752095
Energy: 1.481998045651577
Energy: 1.4645148832875894
Energy: 1.481998045651577
Energy: 1.5272499057513114
Energy: 1.4819980456523607
Energy: 1.7415065508470562
Energy: 1.4482325354651169
Energy: 1.7415065508470562
Energy: 1.4482325354651169
Energy: 1.7415065508494074
Energy: 1.4482325354659005
Energy: 1.74818470121467
Energy: 1.362188132068437
Energy: 1.7481847012138865
Energy: 1.3621881320692206
Energy: 1.7481847012131029
Energy: 1.362188132068437
Energy: 1.4147895106332216
Energy: 1.4301011727217097
Energy: 1.4147895106332216
Energy: 1.3276351864206408
Energy: 1.414789510632438
Energy: 1.4301011727232773
Energy: 1.47830273812393
Energy: 1.5234201416631643
Energy: 1.47830273812393
Energy: 1.5234201416639481
Energy: 1.4783027381231462
Energy: 1.5234201416639481
Energy: 1.4037571348603806
Energy: 1.4330534880630312
Energy: 1.4037571348595967
Energy: 1.4330534880645986
Energy: 1.4037571348595967
Energy: 1.4330534880653825
Energy: 1.4906361934608765
Energy: 1.2626263214295241
Energy: 1.4906361934608765
Energy: 1.2626263214271727
Energy: 1.4906361934616603
Energy: 1.2626263214271727
Energy: 1.2559651992363683
Energy: 1.328606285511642
Energy: 1.2559032889314237
Energy: 1.3286062855100746
Energy: 1.2559651992348004
Energy: 1.3286062855108587
Energy: 1.3799141279378642
Energy: 1.4493374452144383
Energy: 1.3799141279370803
Energy: 1.4493374452152221
Energy: 1.3799141279362968
Energy: 1.4493374452152221
Energy: 1.6026875625248036
Energy: 1.549200733029046
Energy: 1.6026875625248036
Energy: 1.549200733028262
Energy: 1.6026875625248036
Energy: 1.549200733028262
Energy: 1.442487017781735
Energy: 1.262677644634694
Energy: 1.442487017780951
Energy: 1.2626776446362613
Energy: 1.4424870177793836
Energy: 1.2626776446362613
Energy: 1.4747664276963777
Energy: 1.2714202762472364
Energy: 1.4858723678218537
Energy: 1.271420276245669
Energy: 1.4747664276963777
Energy: 1.271420276245669
Energy: 1.4842300776510189
Energy: 1.2673825660448157
Energy: 1.3696458540366525
Energy: 1.2673825660455995
Energy: 1.4842300776510189
Energy: 1.2673825660455995
Energy: 1.4790549864660116
Energy: 1.604276388747976
Energy: 1.4790549864660116
Energy: 1.6042763887503277
Energy: 1.479054986465228
Energy: 1.6042763887503277
Energy: 1.2553109838627887
Energy: 1.326386144424398
Energy: 1.255409728936857
Energy: 1.326386144424398
Energy: 1.2553109838620053
Energy: 1.326386144424398
Energy: 1.3775749763779648
Energy: 1.4671973845310828
Energy: 1.3775749763787488
Energy: 1.2895323312647322
Energy: 1.3775749763787488
Energy: 1.4671973845310828
Energy: 1.2554726804271625
Energy: 1.326236452330825
Energy: 1.2554726804279464
Energy: 1.3262364523323924
Energy: 1.2554726804271625
Energy: 1.3262364523323924
Energy: 1.3772004442839525
Energy: 1.6043993618065142
Energy: 1.3772004442839525
Energy: 1.6043993618065142
Energy: 1.3772004442847363
Energy: 1.6043993618065142
Energy: 1.3695114673023927
Energy: 1.2682614670665953
Energy: 1.3695114673023927
Energy: 1.2682614670658114
Energy: 1.369511467301609
Energy: 1.2682614670658114
Energy: 1.485643936138344
Energy: 1.3885428895119112
Energy: 1.4856439361399114
Energy: 1.3885428895126948
Energy: 1.4856439361391274
Energy: 1.3885428895126948
Energy: 1.5284803630165051
Energy: 1.2629040112729557
Energy: 1.52886213708089
Energy: 1.2629040112729557
Energy: 1.528480363017289
Energy: 1.2629040112729557
Energy: 1.605868263548602
Energy: 1.6528409676718376
Energy: 1.6056161266108868
Energy: 1.6528409676718376
Energy: 1.6058682635493857
Energy: 1.6528409676718376

minimum gb energy = 1.2553109838620053 eV
minimum distance =  2.27225579654801 Angstroms
sigma value = 17


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

Energy: 1.7049224196872517
Energy: 1.201123714977391
Energy: 1.7049224196872517
Energy: 1.2011237149784992
Energy: 1.7049224196872517
Energy: 1.201123714977391
Energy: 1.351974730880784
Energy: 1.299836077096829
Energy: 1.3519747308796752
Energy: 1.299836077096829
Energy: 1.351974730880784
Energy: 1.2998360770957207
Energy: 1.3093545125750246
Energy: 1.340666355544425
Energy: 1.3093545125750246
Energy: 1.340666355544425
Energy: 1.3093545125750246
Energy: 1.340666355544425
Energy: 1.0907840984408583
Energy: 1.3191032853599893
Energy: 1.0907840984430754
Energy: 1.3191032853588809
Energy: 1.0907840984430754
Energy: 1.3191032853588809
Energy: 1.498654209067095
Energy: 1.2854108475120924
Energy: 1.4986542090659865
Energy: 1.2854108475120924
Energy: 1.498654209067095
Energy: 1.2854108475120924
Energy: 1.2394017711597836
Energy: 1.2996516318531384
Energy: 1.2394017711597836
Energy: 1.2996516318542466
Energy: 1.2394017711597836
Energy: 1.2996516318542466
Energy: 1.2977342267500638
Energy: 1.146560472914566
Energy: 1.2977342267489556
Energy: 1.146560472914566
Energy: 1.2977342267500638
Energy: 1.1465604729156744
Energy: 1.0908309891853856
Energy: 1.5064161162841672
Energy: 1.0908309891842771
Energy: 1.5064161162841672
Energy: 1.0908309891798436
Energy: 1.5064161162841672
Energy: 1.2777818283922022
Energy: 1.1449265899989074
Energy: 1.2777818283922022
Energy: 1.144926589997799
Energy: 1.2777818283922022
Energy: 1.1449265899989074
Energy: 1.2020017708690411
Energy: 1.2799219455302016
Energy: 1.2020017708701494
Energy: 1.2799219455302016
Energy: 1.2020017708690411
Energy: 1.2799219455302016
Energy: 1.1999508467371658
Energy: 1.3206801962969223
Energy: 1.1999508467371658
Energy: 1.3206801962969223
Energy: 1.1999508467371658
Energy: 1.3206801962969223
Energy: 1.283049627869654
Energy: 1.3905984177989268
Energy: 1.283049627869654
Energy: 1.3905984177989268
Energy: 1.283049627871871
Energy: 1.3905984177989268
Energy: 1.0902656828069088
Energy: 1.303438102586456
Energy: 1.0902656828069088
Energy: 1.303438102586456
Energy: 1.0902656828069088
Energy: 1.303438102586456
Energy: 1.2197846778626198
Energy: 1.3215358578491647
Energy: 1.2197846778626198
Energy: 1.3215358578480567
Energy: 1.2197846778626198
Energy: 1.3215358578480567
Energy: 1.2390976428290437
Energy: 1.4871890236046201
Energy: 1.2390976428290437
Energy: 1.4871890236046201
Energy: 1.2390976428290437
Energy: 1.4871890236046201
Energy: 1.2386892523876694
Energy: 1.5460108513050785
Energy: 1.238689252388778
Energy: 1.5460108513006448
Energy: 1.2386892523876694
Energy: 1.5460108513061868
Energy: 1.2184063360091677
Energy: 1.3226602092074105
Energy: 1.2184063360091677
Energy: 1.3226602092074105
Energy: 1.2184063360091677
Energy: 1.3226602092074105

minimum gb energy = 1.0902656828069088 eV
minimum distance =  2.31255424643057 Angstroms
sigma value = 17


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

Energy: 1.212009839801076
Energy: 1.085424289770674
Energy: 1.2120098398023598
Energy: 1.08542428977153
Energy: 1.2120098398006478
Energy: 1.0854242897711022
Energy: 1.3114785063409744
Energy: 1.2113150314834067
Energy: 1.3114785063409744
Energy: 1.0986132576710852
Energy: 1.3114785063405465
Energy: 1.2113150314859749
Energy: 1.2199492892697752
Energy: 1.232418194203806
Energy: 1.2199492892706316
Energy: 1.2324181942025219
Energy: 1.2199492892702035
Energy: 1.232418194203378
Energy: 1.2472283372589168
Energy: 1.208204801808032
Energy: 1.2472283372576327
Energy: 1.2082048018084603
Energy: 1.2472283372576327
Energy: 1.208204801808032
Energy: 1.5303746045677233
Energy: 1.2217083917052882
Energy: 1.5303746045672952
Energy: 1.2217083917052882
Energy: 1.5303746045672952
Energy: 1.2217083917048601
Energy: 1.1720620876285186
Energy: 1.1370661257133732
Energy: 1.1720620876293746
Energy: 1.098925521108791
Energy: 1.1720620876285186
Energy: 1.1370661257154742
Energy: 1.0985635774487044
Energy: 1.1096385280729848
Energy: 1.0985635774495603
Energy: 1.109638528073413
Energy: 1.0985635774508444
Energy: 1.1096385280738408
Energy: 1.4179857508499105
Energy: 1.380594213525272
Energy: 1.4179857508494822
Energy: 1.380594213525272
Energy: 1.4179857508503384
Energy: 1.3805942135257
Energy: 1.1463912265906142
Energy: 1.150062670290987
Energy: 1.1463912265880463
Energy: 1.1500626702901309
Energy: 1.1463912265897582
Energy: 1.150062670290987
Energy: 1.0975908567286041
Energy: 1.0000264693958838
Energy: 1.0975908567311723
Energy: 1.0000264693967398
Energy: 1.0975908567316006
Energy: 1.0000264693967398
Energy: 1.0164806258120616
Energy: 1.3473256144147097
Energy: 1.0164806258120616
Energy: 1.3473256144147097
Energy: 1.0164806258120616
Energy: 1.3473256144147097
Energy: 1.221278032711302
Energy: 1.325808438928183
Energy: 1.2212780327087336
Energy: 1.3258084389273268
Energy: 1.221278032711302
Energy: 1.325808438928183
Energy: 1.2862087095595662
Energy: 1.1148900020381083
Energy: 1.2862087095595662
Energy: 1.1148900020385364
Energy: 1.28620870955871
Energy: 1.1148900020381083
Energy: 1.115365314016583
Energy: 1.2162589119705185
Energy: 1.115365314016583
Energy: 1.2162589119709464
Energy: 1.115365314017011
Energy: 1.2162589119705185
Energy: 1.1834334535758864
Energy: 1.1895717026546766
Energy: 1.1834334535750302
Energy: 1.1895717026542483
Energy: 1.1834334535767423
Energy: 1.1895717026542483
Energy: 1.228594297855122
Energy: 1.27152657778286
Energy: 1.228594297855122
Energy: 1.271526577783288
Energy: 1.2285942978546942
Energy: 1.271526577783716
Energy: 1.1165382466107256
Energy: 1.158913791937339
Energy: 1.1165382466107256
Energy: 1.158913791937767
Energy: 1.1165382466111538
Energy: 1.158913791937339
Energy: 1.1748106385801886
Energy: 1.382305724836494
Energy: 1.1748106385793329
Energy: 1.382305724836922
Energy: 1.1748106385797608
Energy: 1.382305724836494
Energy: 1.1302679544991852
Energy: 1.5267334264833161
Energy: 1.130267954499613
Energy: 1.5267334264833161
Energy: 1.130267954499613
Energy: 1.5267334264833161
Energy: 1.115009040617942
Energy: 1.002055793554689
Energy: 1.1150090406183701
Energy: 1.002055793556401
Energy: 1.1150090406175137
Energy: 1.002055793555973
Energy: 1.129947140196635
Energy: 1.5267013950249755
Energy: 1.129947140196207
Energy: 1.5267013950249755
Energy: 1.129947140196207
Energy: 1.5267013950245476
Energy: 1.174809519367847
Energy: 1.3820241242440081
Energy: 1.174809519367847
Energy: 1.3820241242435802
Energy: 1.1748095193682748
Energy: 1.3820241242440081
Energy: 1.1163793812282543
Energy: 1.158673064626657
Energy: 1.1163793812278262
Energy: 1.158673064627085
Energy: 1.1163793812286822
Energy: 1.158673064627085
Energy: 1.2274350678024175
Energy: 1.224524863744553
Energy: 1.2274350678019896
Energy: 1.224524863744981
Energy: 1.2274350678028456
Energy: 1.2245248637432689
Energy: 1.183189028454351
Energy: 1.1908293849059073
Energy: 1.1831890284530666
Energy: 1.1908293849059073
Energy: 1.1831890284513544
Energy: 1.1908293849054792
Energy: 1.115188225932356
Energy: 1.2163775849259457
Energy: 1.1151882259327839
Energy: 1.2163775849259457
Energy: 1.115188225932356
Energy: 1.2163775849255176
Energy: 1.286232888633242
Energy: 1.1149105811484057
Energy: 1.2862328886323855
Energy: 1.1149105811484057
Energy: 1.2862328886336698
Energy: 1.1149105811484057
Energy: 1.2213512449606925
Energy: 1.2970601857421706
Energy: 1.2213512449598365
Energy: 1.2970601857413144
Energy: 1.2213512449611206
Energy: 1.2970601857417423
Energy: 1.016806624385162
Energy: 1.347285410244208
Energy: 1.016806624384306
Energy: 1.347285410244208
Energy: 1.016806624385162
Energy: 1.347285410244208
Energy: 1.0973465171095043
Energy: 1.0003913467205785
Energy: 1.0973465171099324
Energy: 1.0003913467235748
Energy: 1.0973465171095043
Energy: 1.0003913467231467
Energy: 1.146433994011581
Energy: 1.1498171156290042
Energy: 1.146433994010297
Energy: 1.1498171156285764
Energy: 1.1464339940111532
Energy: 1.1498171156285764
Energy: 1.4180439690961217
Energy: 1.3806681557980924
Energy: 1.4180439690961217
Energy: 1.3806681557985203
Energy: 1.4180439690952655
Energy: 1.3806681557980924
Energy: 1.098189392916988
Energy: 1.1098606785256977
Energy: 1.098189392917844
Energy: 1.1098606785256977
Energy: 1.0981893929152757
Energy: 1.1098606785261258
Energy: 1.1720680928965683
Energy: 1.0644232648801863
Energy: 1.1720680928969962
Energy: 1.0644232648806145
Energy: 1.1720680928965683
Energy: 1.0644232648801863
Energy: 1.5305826208210396
Energy: 1.22152082057699
Energy: 1.5305826208206117
Energy: 1.22152082057699
Energy: 1.5305826208206117
Energy: 1.22152082057699
Energy: 1.24691419496803
Energy: 1.177919711746224
Energy: 1.246914194967174
Energy: 1.17791971174708
Energy: 1.24691419496803
Energy: 1.1779197117479363
Energy: 1.220133108664378
Energy: 1.2328729127415285
Energy: 1.2201331086648064
Energy: 1.2328729127415285
Energy: 1.2201331086648064
Energy: 1.2328729127415285
Energy: 1.3114128797789746
Energy: 1.063893176376847
Energy: 1.3114128797798306
Energy: 1.063893176376847
Energy: 1.3114128797794027
Energy: 1.063893176376847
Energy: 1.212009839801076
Energy: 1.0854242897719582
Energy: 1.2120098398002197
Energy: 1.0854242897719582
Energy: 1.2120098397993637
Energy: 1.0854242897719582
Energy: 1.3114785063409744
Energy: 1.132480911409001
Energy: 1.3114785063414027
Energy: 1.132480911409857
Energy: 1.3114785063409744
Energy: 1.1324809114119971
Energy: 1.2199492892680632
Energy: 1.2324181942016657
Energy: 1.2199492892693473
Energy: 1.2324181942016657
Energy: 1.2199492892689192
Energy: 1.2324181942012378
Energy: 1.2472283372507842
Energy: 1.1578106857949841
Energy: 1.2472283372589168
Energy: 1.1578106857949841
Energy: 1.2472283372576327
Energy: 1.1578106857945563
Energy: 1.5303746045685793
Energy: 1.2217083917031482
Energy: 1.5303746045685793
Energy: 1.2217083917035763
Energy: 1.5303746045685793
Energy: 1.221708391704004

minimum gb energy = 1.0000264693958838 eV
minimum distance =  2.27889487007968 Angstroms
sigma value = 57


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

Energy: 1.110454144792662
Energy: 1.0017828269424947
Energy: 1.1104541447912681
Energy: 1.0017828269424947
Energy: 1.1104541447912681
Energy: 1.0017828269431917
Energy: 1.1813275488416188
Energy: 1.1476043689627848
Energy: 1.1813275488416188
Energy: 1.1476043689627848
Energy: 1.1813275488416188
Energy: 1.1476043689634816
Energy: 1.1720491332468133
Energy: 1.1477281224414053
Energy: 1.1720491332468133
Energy: 1.1477281224414053
Energy: 1.1720491332468133
Energy: 1.147728122442102
Energy: 1.161274952185274
Energy: 1.103679157656712
Energy: 1.161274952185274
Energy: 1.1036791576546212
Energy: 1.161274952185971
Energy: 1.103679157655318
Energy: 1.3567691127586499
Energy: 1.1158636544733855
Energy: 1.3567691127593469
Energy: 1.1158636544740823
Energy: 1.3567691127593469
Energy: 1.1158636544740823
Energy: 1.0992520042246652
Energy: 0.9863899029718267
Energy: 1.0992520042246652
Energy: 0.9863899029739175
Energy: 1.099252004225362
Energy: 0.9863899029711297
Energy: 1.145874622713554
Energy: 1.0673933324707292
Energy: 1.1458746227149477
Energy: 1.0673933324714262
Energy: 1.1458746227156449
Energy: 1.0673933324707292
Energy: 1.2887589181487944
Energy: 1.2814187333613312
Energy: 1.2887589181480974
Energy: 1.2814187333613312
Energy: 1.2887589181467036
Energy: 1.2814187333613312
Energy: 1.0104256549454027
Energy: 0.9889877747003268
Energy: 1.0104256549460995
Energy: 0.9889877746996298
Energy: 1.0104256549454027
Energy: 0.988987774698933
Energy: 1.1400040221653989
Energy: 1.0267752014978144
Energy: 1.1400040221653989
Energy: 1.0267752014985114
Energy: 1.1400040221674896
Energy: 1.0267752014985114
Energy: 1.3070902630301036
Energy: 1.3056244002359507
Energy: 1.3070902630294068
Energy: 1.3056244002366475
Energy: 1.3070902630294068
Energy: 1.3056244002366475
Energy: 1.0508910915933132
Energy: 1.286653343135726
Energy: 1.050891091592616
Energy: 1.2866533431350289
Energy: 1.050891091592616
Energy: 1.2866533431350289
Energy: 1.1397528915872173
Energy: 1.1654140720183823
Energy: 1.1397528915865203
Energy: 1.1654140720176855
Energy: 1.1397528915879143
Energy: 1.1654140720183823
Energy: 1.2877776042872275
Energy: 1.1672830501919393
Energy: 1.2877776042879243
Energy: 1.1672830501912426
Energy: 1.2877776042872275
Energy: 1.1672830501905458
Energy: 1.120539833821602
Energy: 1.3896793096202846
Energy: 1.1205398338222987
Energy: 1.3896793096216784
Energy: 1.120539833821602
Energy: 1.3896793096209814
Energy: 1.173063929825768
Energy: 1.1663858281266855
Energy: 1.173063929828556
Energy: 1.1663858281266855
Energy: 1.1730639298264651
Energy: 1.1663858281273825
Energy: 1.1912501390803467
Energy: 1.1420213433459836
Energy: 1.1912501390859223
Energy: 1.1420213433466806
Energy: 1.1912501390824375
Energy: 1.1420213433459836
Energy: 1.2075676227990115
Energy: 1.200766160021108
Energy: 1.2075676227983148
Energy: 1.2007661600225017
Energy: 1.2075676227969208
Energy: 1.2007661600225017
Energy: 1.1440241572905518
Energy: 1.193498773447091
Energy: 1.144024157289855
Energy: 1.193498773447788
Energy: 1.1440241572905518
Energy: 1.193498773447788
Energy: 1.1455199850383766
Energy: 1.1038039558551684
Energy: 1.1455199850397704
Energy: 1.1038039558558652
Energy: 1.1455199850383766
Energy: 1.1038039558558652
Energy: 1.0973660178936822
Energy: 1.287136261340766
Energy: 1.0973660178936822
Energy: 1.287136261340766
Energy: 1.0973660178929852
Energy: 1.287136261340766
Energy: 0.9413886641407326
Energy: 1.3946012463695612
Energy: 0.9413886641407326
Energy: 1.3946012463695612
Energy: 0.9413886641407326
Energy: 1.3946012463702582
Energy: 1.0289659141221803
Energy: 1.0523704592448004
Energy: 1.028965914122877
Energy: 1.0523704592448004
Energy: 1.0289659141221803
Energy: 1.0523704592441034
Energy: 1.0367539851774887
Energy: 1.4329245951916918
Energy: 1.0367539851795795
Energy: 1.4329245951930856
Energy: 1.0367539851802765
Energy: 1.4329245951916918
Energy: 1.2339102557564419
Energy: 1.2880212213437634
Energy: 1.2339102557564419
Energy: 1.2880212213430664
Energy: 1.2339102557571389
Energy: 1.2880212213430664
Energy: 1.003149065912381
Energy: 1.050776439480257
Energy: 1.0031490659284108
Energy: 1.0507764394795602
Energy: 1.0031490659151687
Energy: 1.0507764394795602
Energy: 0.941054261936119
Energy: 1.1934484702072106
Energy: 0.941054261936816
Energy: 1.1934484702072106
Energy: 0.941054261938907
Energy: 1.1934484702072106

minimum gb energy = 0.941054261936119 eV
minimum distance =  2.27881743080624 Angstroms
sigma value = 43


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

Energy: 1.2294118621989496
Energy: 0.9041390290463155
Energy: 1.229411862198442
Energy: 0.9041390290463155
Energy: 1.2294118621999655
Energy: 0.9041390290463155
Energy: 0.9949823199720094
Energy: 1.0377414804499947
Energy: 0.9949823199720094
Energy: 1.0377414804505025
Energy: 0.9949823199725172
Energy: 1.0377414804510101
Energy: 0.9910281382622448
Energy: 1.039775721147426
Energy: 0.9910281382627525
Energy: 1.039775721147426
Energy: 0.9910281382627525
Energy: 1.039775721147426
Energy: 1.1695022052124395
Energy: 0.9582373116245542
Energy: 1.1695022052124395
Energy: 0.9582373116245542
Energy: 1.1695022052124395
Energy: 0.9582373116240462
Energy: 1.1430471372052946
Energy: 0.9936651401559059
Energy: 1.1430471372058026
Energy: 0.9936651401559059
Energy: 1.1430471372063102
Energy: 0.9936651401559059
Energy: 0.9402817405865355
Energy: 0.9929053980445278
Energy: 0.9402817405865355
Energy: 0.9929053980445278
Energy: 0.9402817405860278
Energy: 0.9929053980445278
Energy: 1.1263617790145737
Energy: 0.9298259656752648
Energy: 1.1263617790140659
Energy: 0.9298259656757725
Energy: 1.1263617790145737
Energy: 0.9298259656757725
Energy: 1.1930003522963077
Energy: 1.0907581937752897
Energy: 1.1930003522958
Energy: 1.0907581937752897
Energy: 1.1930003522963077
Energy: 1.0907581937752897
Energy: 0.8993093987781412
Energy: 0.9813082627521071
Energy: 0.8993093987776333
Energy: 0.9813082627521071
Energy: 0.8993093987776333
Energy: 0.9813082627521071
Energy: 0.998858901838017
Energy: 0.8834408611591535
Energy: 0.9988589018375092
Energy: 0.8834408611596613
Energy: 0.9988589018390326
Energy: 0.8834408611586455
Energy: 1.1278745643570374
Energy: 1.0824009226416804
Energy: 1.1278745643575452
Energy: 1.0824009226411724
Energy: 1.1278745643570374
Energy: 1.0824009226411724
Energy: 0.8568720889229693
Energy: 0.9801186625362049
Energy: 0.8568720889234771
Energy: 0.9801186625362049
Energy: 0.8568720889239848
Energy: 0.980118662536713
Energy: 0.9988044875774066
Energy: 0.8454107166077713
Energy: 0.9988044875779143
Energy: 0.845410716608279
Energy: 0.998804487578422
Energy: 0.845410716608279
Energy: 1.1068841029378913
Energy: 1.0844305297073558
Energy: 1.1068841029378913
Energy: 1.0844305297073558
Energy: 1.106884102938399
Energy: 1.0844305297073558
Energy: 0.8807280648002138
Energy: 0.9796828994833986
Energy: 0.8807280647997061
Energy: 0.9796828994828907
Energy: 0.8807280647997061
Energy: 0.9796828994833986
Energy: 1.0220950872365737
Energy: 0.9355124365285398
Energy: 1.0220950872360661
Energy: 0.9355124365285398
Energy: 1.0220950872370818
Energy: 0.9355124365285398
Energy: 1.1229866909436519
Energy: 1.1503530568298745
Energy: 1.1229866909441595
Energy: 1.1503530568298745
Energy: 1.1229866909436519
Energy: 1.1503530568303824
Energy: 0.9136426589025989
Energy: 1.1119903644275806
Energy: 0.9136426589025989
Energy: 1.1119903644275806
Energy: 0.9136426589031066
Energy: 1.1119903644275806
Energy: 0.9910607868780785
Energy: 0.9824196305319366
Energy: 0.9910607868780785
Energy: 0.9824196305319366
Energy: 0.9910607868780785
Energy: 0.9824196305319366
Energy: 1.157012603696704
Energy: 1.1307130177397493
Energy: 1.157012603696704
Energy: 1.1307130177402571
Energy: 1.157012603696704
Energy: 1.1307130177397493
Energy: 0.9731116772798534
Energy: 1.095940383433191
Energy: 0.9731116772798534
Energy: 1.0959403834321753
Energy: 0.9731116772798534
Energy: 1.095940383432683
Energy: 1.0496067752091303
Energy: 0.9860013443586008
Energy: 1.049606775210146
Energy: 0.9860013443586008
Energy: 1.0496067752096383
Energy: 0.9860013443591086
Energy: 1.184673992012381
Energy: 0.985005635458155
Energy: 1.1846739920133968
Energy: 0.985005635458155
Energy: 1.184673992012889
Energy: 0.985005635458155
Energy: 1.036852345055327
Energy: 1.1804069005801543
Energy: 1.0368523450563427
Energy: 1.180406900580662
Energy: 1.0368523450563427
Energy: 1.180406900580662
Energy: 0.9925690424319733
Energy: 1.052829706077937
Energy: 0.9925690424319733
Energy: 1.052829706077937
Energy: 0.9925690424319733
Energy: 1.052829706077937
Energy: 0.9924039959569407
Energy: 0.9647789456729889
Energy: 0.9924039959569407
Energy: 0.9647789456729889
Energy: 0.9924039959564329
Energy: 0.9647789456729889
Energy: 0.9611346048024069
Energy: 1.1271613955474398
Energy: 0.941306903112792
Energy: 1.1271613955479474
Energy: 0.941306903112792
Energy: 1.1271613955484552
Energy: 0.9604826876331335
Energy: 0.9655450071768249
Energy: 0.9604826876326258
Energy: 0.9655450071753477
Energy: 0.9604826876326258
Energy: 0.96554500717484
Energy: 0.8682409757791443
Energy: 0.9034935816803492
Energy: 0.8682409757796522
Energy: 0.9034935816808571
Energy: 0.8682409757796522
Energy: 0.9034935816803492
Energy: 0.8785582018122369
Energy: 1.097117564767624
Energy: 0.8785582018127448
Energy: 1.097117564767624
Energy: 0.8785582018122369
Energy: 1.097117564767624
Energy: 0.9505501962622978
Energy: 1.1956154632895117
Energy: 0.95055019626179
Energy: 1.1956154632900198
Energy: 0.9505501962628057
Energy: 1.1956154632900198
Energy: 0.9732046352007873
Energy: 0.8717550384798027
Energy: 0.9732046352002794
Energy: 0.8717550384798027
Energy: 0.9732046351997717
Energy: 0.8717550384798027
Energy: 0.852646141243881
Energy: 0.968939643776922
Energy: 0.852646141243881
Energy: 0.968939643776922
Energy: 0.852646141243881
Energy: 0.9689396437774297
Energy: 1.0933780666322055
Energy: 1.084066974150596
Energy: 1.0933780666337287
Energy: 1.084066974150596
Energy: 1.093378066632713
Energy: 1.0840669741511038
Energy: 0.9718397305158563
Energy: 0.8465879097616748
Energy: 0.9718397305153486
Energy: 0.8465879097621827
Energy: 0.9718397305153486
Energy: 0.8465879097616748
Energy: 0.7847483075177537
Energy: 0.9689510070466821
Energy: 0.7847483075187692
Energy: 0.9689510070466821
Energy: 0.7847483075182614
Energy: 0.9689510070466821

minimum gb energy = 0.7847483075177537 eV
minimum distance =  2.27279071127698 Angstroms
sigma value = 81


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

Energy: 0.3590701358242499
Energy: 0.4152957269891648
Energy: 0.08155812279660862
Energy: 0.4152957269891648
Energy: 0.3590701358242499
Energy: 0.4152957269891648
Energy: 1.0130537007020044
Energy: 0.08299223634327456
Energy: 1.0130537007038702
Energy: 0.08299223642345965
Energy: 1.0130537007038702
Energy: 0.08299223637685817
Energy: 0.9238987190528152
Energy: 0.08220507748269508
Energy: 0.9238987190528152
Energy: 0.08220507748269508
Energy: 0.9238987190528152
Energy: 0.08220507748269508
Energy: 0.08155812279660862
Energy: 0.41529572699098816
Energy: 0.08155812279660862
Energy: 0.41529572699098816
Energy: 0.08155812279660862
Energy: 0.41529572699098816
Energy: 1.0130537007038702
Energy: 0.08299223550966323
Energy: 1.0130537007038702
Energy: 0.08299223550966323
Energy: 1.0130537007038702
Energy: 0.08299223565701554
Energy: 0.9238987190528152
Energy: 0.08220507748269508
Energy: 0.9238987190528152
Energy: 0.08220507748269508
Energy: 0.9238987190509494
Energy: 0.08220507748269508
Energy: 0.3590701358261157
Energy: 0.4152957269891648
Energy: 0.08155812279660862
Energy: 0.4152957269891648
Energy: 0.3590701358261157
Energy: 0.4152957269891648
Energy: 1.0130537007038702
Energy: 0.08299223510496377
Energy: 1.0130537007038702
Energy: 0.08299223533623272
Energy: 1.0130537007038702
Energy: 0.0829922351553392
Energy: 0.9238987190528152
Energy: 0.08220507748269508
Energy: 0.9238987190528152
Energy: 0.08220507748269508
Energy: 0.9238987190528152
Energy: 0.08220507748269508
Energy: 0.08155812279660862
Energy: 0.41529572699098816
Energy: 0.08155812279660862
Energy: 0.41529572699098816
Energy: 0.08155812279660862
Energy: 0.4152957269891648

minimum gb energy = 0.08155812279660862 eV
minimum distance =  2.45838949053071 Angstroms
sigma value = 3


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

Energy: 1.076781768536211
Energy: 0.8992706979878933
Energy: 1.0767817685367695
Energy: 0.8992706979878933
Energy: 1.0767817685367695
Energy: 0.8992706979878933
Energy: 0.8953661157182469
Energy: 0.9683349488776821
Energy: 0.8953661157182469
Energy: 0.9683349488776821
Energy: 0.8953661157171303
Energy: 0.9683349488776821
Energy: 0.9847556072844873
Energy: 0.9694067219451156
Energy: 0.9847556072844873
Energy: 0.9694067219451156
Energy: 0.9847556072844873
Energy: 0.9694067219451156
Energy: 1.008304354131947
Energy: 0.953731340488662
Energy: 1.0083043541325052
Energy: 0.953731340488662
Energy: 1.0083043541313885
Energy: 0.953731340488662
Energy: 0.77492009210223
Energy: 1.0012387733432788
Energy: 0.77492009210223
Energy: 1.0012387733427204
Energy: 0.77492009210223
Energy: 1.0012387733427204
Energy: 0.9330744613692452
Energy: 0.9662507003241319
Energy: 0.9330744613692452
Energy: 0.9662507003230152
Energy: 0.9330744613692452
Energy: 0.9662507003235735
Energy: 0.9642565807519279
Energy: 0.9350927796367284
Energy: 0.9642565807530447
Energy: 0.93509277963617
Energy: 0.9642565807519279
Energy: 0.9350927796367284
Energy: 0.7773403821151501
Energy: 0.9967851455693924
Energy: 0.7773403821157083
Energy: 0.9967851455688339
Energy: 0.7773403821157083
Energy: 0.9967851455688339
Energy: 0.9470683078991003
Energy: 0.9584382721754919
Energy: 0.9470683078996587
Energy: 0.9584382721754919
Energy: 0.9470683078991003
Energy: 0.9584382721754919
Energy: 0.9695989198056201
Energy: 0.8264525064981472
Energy: 0.9695989198056201
Energy: 0.826452506497589
Energy: 0.9695989198056201
Energy: 0.826452506497589
Energy: 0.8272442107534513
Energy: 0.8852696781602631
Energy: 0.827244210751218
Energy: 0.8852696781557963
Energy: 0.8272442107523346
Energy: 0.8852696781574714
Energy: 0.9746651636455217
Energy: 0.9851354789427091
Energy: 0.974665163645014
Energy: 0.9851354789427091
Energy: 0.9746651636455217
Energy: 0.9851354789432675
Energy: 0.968096932148107
Energy: 0.7806621364581724
Energy: 0.9680969321475488
Energy: 0.7806621364581724
Energy: 0.9680969321475488
Energy: 0.7806621364581724
Energy: 0.8485222961437603
Energy: 0.9664152199023437
Energy: 0.8485222961437603
Energy: 0.9664152199017854
Energy: 0.8485222961437603
Energy: 0.9664152199017854
Energy: 0.952447883837877
Energy: 0.9519854172420666
Energy: 0.9524478838373187
Energy: 0.9519854172420666
Energy: 0.9524478838373187
Energy: 0.9519854172420666
Energy: 0.9684240113404816
Energy: 0.771323445121122
Energy: 0.9684240113404816
Energy: 0.7713234451205637
Energy: 0.9684240113404816
Energy: 0.7713234451216804
Energy: 0.9822908730276705
Energy: 0.995958117779173
Energy: 0.9822908730276705
Energy: 0.9959581177786145
Energy: 0.9822908730276705
Energy: 0.9959581177786145
Energy: 0.9521839009282937
Energy: 0.9248101921804653
Energy: 0.9521839009277354
Energy: 0.9248101921804653
Energy: 0.9521839009282937
Energy: 0.9248101921810237
Energy: 0.9525778241426579
Energy: 0.8843461696533191
Energy: 0.9525778241426579
Energy: 0.8843461696533191
Energy: 0.9525778241432162
Energy: 0.8843461696533191
Energy: 0.9072829111112347
Energy: 1.0541076330362849
Energy: 0.9072829111106765
Energy: 1.0541076330362849
Energy: 0.9072829111112347
Energy: 1.054107633036843
Energy: 0.9689592819163058
Energy: 0.9028365084417006
Energy: 0.9689592819163058
Energy: 0.9028365084411423
Energy: 0.968959281916864
Energy: 0.9028365084411423
Energy: 1.0515552744220906
Energy: 0.8981484858606594
Energy: 1.0515552744220906
Energy: 0.8981484858601011
Energy: 1.051555274422649
Energy: 0.8981484858601011
Energy: 0.9363734975085442
Energy: 1.0529441054297881
Energy: 0.9363734975085442
Energy: 1.0529441054303463
Energy: 0.9363734975085442
Energy: 1.0529441054303463
Energy: 1.0473756925226319
Energy: 0.8808306320909655
Energy: 1.0473756925220734
Energy: 0.8808306320909655
Energy: 1.0473756925226319
Energy: 0.8808306320915238
Energy: 0.9820365895556395
Energy: 0.929960697219905
Energy: 0.9820365895556395
Energy: 0.929960697219905
Energy: 0.9820365895550812
Energy: 0.9299606972204634
Energy: 0.898284918705683
Energy: 0.9775960962979121
Energy: 0.8982849187051247
Energy: 0.9775960962973539
Energy: 0.8982849187051247
Energy: 0.9775960962967956
Energy: 1.055138629640951
Energy: 0.8339068528089641
Energy: 1.0551386296415095
Energy: 0.8339068528095225
Energy: 1.055138629640951
Energy: 0.8339068528089641
Energy: 0.9506756330515816
Energy: 0.9460290333909376
Energy: 0.9506756330515816
Energy: 0.9460290333909376
Energy: 0.9506756330515816
Energy: 0.9460290333909376
Energy: 0.8448453395817713
Energy: 1.0014736242919275
Energy: 0.8448453395812131
Energy: 1.0014736242913693
Energy: 0.8448453395817713
Energy: 1.0014736242919275
Energy: 1.0447032862331647
Energy: 0.8434895119655134
Energy: 1.0447032862331647
Energy: 0.8434895119643967
Energy: 1.0447032862326062
Energy: 0.84348951196328
Energy: 0.9548148057295945
Energy: 0.9374984100651562
Energy: 0.9548148057295945
Energy: 0.9374984100651562
Energy: 0.9548148057295945
Energy: 0.9374984100651562
Energy: 0.8212025488383404
Energy: 0.958784095447708
Energy: 0.8212025488383404
Energy: 0.958784095447708
Energy: 0.8212025488383404
Energy: 0.958784095447708
Energy: 0.9542990383011669
Energy: 0.9511507801151956
Energy: 0.9542990383011669
Energy: 0.9511507801151956
Energy: 0.9542990383006084
Energy: 0.9511507801151956

minimum gb energy = 0.7713234451205637 eV
minimum distance =  2.33223946820802 Angstroms
sigma value = 67


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

Energy: 1.2374701864296074
Energy: 1.1285593096812419
Energy: 1.2374701864304027
Energy: 1.1285593096828326
Energy: 1.2374701864304027
Energy: 1.1285593096796505
Energy: 1.0908659982767865
Energy: 1.221788630299
Energy: 1.0908659982767865
Energy: 1.221788630299
Energy: 1.0908659982751951
Energy: 1.221788630299
Energy: 1.1590764913366185
Energy: 1.1827526446411647
Energy: 1.1590764913366185
Energy: 1.1827526446411647
Energy: 1.1590764913366185
Energy: 1.1827526446411647
Energy: 1.1817772156430455
Energy: 1.1161940104024533
Energy: 1.181777215643841
Energy: 1.1161940104016579
Energy: 1.181777215643841
Energy: 1.1161940104024533
Energy: 0.9757737074105013
Energy: 1.0745717813742088
Energy: 0.9757737074112969
Energy: 1.0745717813742088
Energy: 0.9757737074097056
Energy: 1.0745717813749318
Energy: 1.1633023353524672
Energy: 1.1541061095065586
Energy: 1.1633023353532628
Energy: 1.1541061095065586
Energy: 1.1633023353524672
Energy: 1.1541061095065586
Energy: 1.0878118635476404
Energy: 1.056162691124309
Energy: 1.0878118635476404
Energy: 1.0561626911235134
Energy: 1.0878118635484362
Energy: 1.0561626911235134
Energy: 1.052872401669219
Energy: 1.0650250226951334
Energy: 1.052872401669219
Energy: 1.0650250226951334
Energy: 1.052872401669219
Energy: 1.0650250226951334
Energy: 1.1979292263518635
Energy: 1.2026147729149368
Energy: 1.1979292263518635
Energy: 1.2026147729149368
Energy: 1.1979292263510681
Energy: 1.2026147729141412
Energy: 1.1535133386796206
Energy: 1.006783600972128
Energy: 1.1535133386796206
Energy: 1.0067836009729234
Energy: 1.1535133386796206
Energy: 1.0067836009729234
Energy: 1.1621557644909088
Energy: 1.1569936679994677
Energy: 1.1621557644909088
Energy: 1.1569936679994677
Energy: 1.1621557644917044
Energy: 1.1569936679994677
Energy: 1.1885654199362254
Energy: 1.1458472976555316
Energy: 1.1885654199362254
Energy: 1.1458472976555316
Energy: 1.1885654199362254
Energy: 1.1458472976555316
Energy: 1.1557434605918724
Energy: 1.2486073092185994
Energy: 1.1557434605926682
Energy: 1.2486073092185994
Energy: 1.1557434605918724
Energy: 1.2486073092185994
Energy: 1.2042289932098147
Energy: 1.1921692857158832
Energy: 1.2042289932098147
Energy: 1.1921692857166788
Energy: 1.204228993209019
Energy: 1.1921692857166788
Energy: 1.1275826789448222
Energy: 1.0903408263794012
Energy: 1.1275826789456178
Energy: 1.0903408263786059
Energy: 1.1275826789448222
Energy: 1.0903408263786059
Energy: 1.207978377312642
Energy: 1.1150512630970209
Energy: 1.2079783773118469
Energy: 1.1150512630970209
Energy: 1.207978377312642
Energy: 1.1150512630962255
Energy: 1.111960330332001
Energy: 1.1779088742649826
Energy: 1.111960330332001
Energy: 1.1779088742649826
Energy: 1.111960330332001
Energy: 1.1779088742649826
Energy: 1.13032753172601
Energy: 1.0729495637812796
Energy: 1.13032753172601
Energy: 1.0729495637812796
Energy: 1.13032753172601
Energy: 1.0729495637812796
Energy: 1.1613809530714858
Energy: 1.2243651004933498
Energy: 1.1613809530722814
Energy: 1.2243651004933498
Energy: 1.1613809530722814
Energy: 1.2243651004933498
Energy: 1.2554460873811009
Energy: 1.1794211230073997
Energy: 1.2554460873811009
Energy: 1.1794211230081952
Energy: 1.2554460873818964
Energy: 1.1794211230081952
Energy: 1.245025418767852
Energy: 1.0886497396511159
Energy: 1.245025418767852
Energy: 1.0886497396519117
Energy: 1.2450254187686476
Energy: 1.0886497396511159
Energy: 1.1832495575860522
Energy: 1.2218833628553778
Energy: 1.1832495575860522
Energy: 1.2218833628561732
Energy: 1.1832495575860522
Energy: 1.2218833628553778
Energy: 1.0387640603732982
Energy: 1.1793629108084591
Energy: 1.0387640603732982
Energy: 1.1793629108084591
Energy: 1.0387640603732982
Energy: 1.1793629108092547

minimum gb energy = 0.9757737074097056 eV
minimum distance =  2.32798726465667 Angstroms
sigma value = 33


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

Energy: 1.3623414624210626
Energy: 1.2073556875790705
Energy: 1.3623414624205579
Energy: 1.2073556875790705
Energy: 1.3623414624210626
Energy: 1.2073556875790705
Energy: 1.2208526925225767
Energy: 1.3254688775492598
Energy: 1.220852692522072
Energy: 1.3254688775492598
Energy: 1.2208526925225767
Energy: 1.3254688775492598
Energy: 1.3365072743737212
Energy: 1.3268873510737735
Energy: 1.3365072743747304
Energy: 1.3268873510737735
Energy: 1.3365072743742257
Energy: 1.3268873510737735
Energy: 1.3046283342443106
Energy: 1.2104572518261376
Energy: 1.3046283342448153
Energy: 1.2104572518261376
Energy: 1.3046283342438059
Energy: 1.2104572518251282
Energy: 1.2315277763831187
Energy: 1.337663602694694
Energy: 1.2315277763831187
Energy: 1.337663602694694
Energy: 1.2315277763836234
Energy: 1.337663602694694
Energy: 1.3690841302442454
Energy: 1.330781269961686
Energy: 1.3690841302442454
Energy: 1.3307812699611814
Energy: 1.3690841302442454
Energy: 1.330781269961686
Energy: 1.2176091386645294
Energy: 1.1691762085587993
Energy: 1.217609138665034
Energy: 1.1691762085593038
Energy: 1.2176091386645294
Energy: 1.16917620855779
Energy: 1.3208271371704439
Energy: 1.2969131237875224
Energy: 1.3208271371709488
Energy: 1.296913123788027
Energy: 1.3208271371704439
Energy: 1.2969131237875224
Energy: 1.3023025484674433
Energy: 1.300807784808204
Energy: 1.3023025484674433
Energy: 1.300807784808204
Energy: 1.302302548467948
Energy: 1.300807784808204
Energy: 1.4398849172112889
Energy: 1.222853191098453
Energy: 1.4398849172117936
Energy: 1.2367938107633372
Energy: 1.4398849172122983
Energy: 1.2367938107633372
Energy: 1.3392624697665725
Energy: 1.3120618694357074
Energy: 1.3392624697665725
Energy: 1.3120618694357074
Energy: 1.3392624697660678
Energy: 1.3120618694357074
Energy: 1.2228196252278785
Energy: 1.2217545696960925
Energy: 1.2228196252278785
Energy: 1.2217545696960925
Energy: 1.2228196252278785
Energy: 1.2217545696960925
Energy: 1.3551332102373155
Energy: 1.273579902911014
Energy: 1.3551332102368108
Energy: 1.2735799029115187
Energy: 1.3551332102368108
Energy: 1.273579902911014
Energy: 1.2898954410188812
Energy: 1.2968785920456867
Energy: 1.2898954410183763
Energy: 1.2968785920456867
Energy: 1.2898954410188812
Energy: 1.296878592045182
Energy: 1.2581867441272634
Energy: 1.253495831860818
Energy: 1.2581867441272634
Energy: 1.2534958318613227
Energy: 1.2581867441277679
Energy: 1.253495831860818
Energy: 1.3042662321983298
Energy: 1.339295039427811
Energy: 1.3042662321993395
Energy: 1.339295039427811
Energy: 1.3042662321988345
Energy: 1.3392950394273062
Energy: 1.2133040490861142
Energy: 1.3582369551814786
Energy: 1.2133040490861142
Energy: 1.3582369551814786
Energy: 1.2133040490840956
Energy: 1.3582369551814786
Energy: 1.3290387449752599
Energy: 1.393341156695619
Energy: 1.3290387449757646
Energy: 1.393341156695619
Energy: 1.3290387449757646
Energy: 1.393341156695619
Energy: 1.2142689685947847
Energy: 1.3950063711105871
Energy: 1.2142689685952894
Energy: 1.3950063711105871
Energy: 1.2142689685947847
Energy: 1.3950063711105871
Energy: 1.3745882377537955
Energy: 1.3269514822709845
Energy: 1.3745882377543
Energy: 1.3269514822709845
Energy: 1.3745882377537955
Energy: 1.3269514822714892
Energy: 1.302875214316946
Energy: 1.3388040390018168
Energy: 1.302875214316946
Energy: 1.3388040390018168
Energy: 1.302875214316946
Energy: 1.3388040390018168
Energy: 1.2552409483520215
Energy: 1.202613258734316
Energy: 1.2552409483484888
Energy: 1.202613258734316
Energy: 1.255240948351517
Energy: 1.202613258734316
Energy: 1.2265312293913775
Energy: 1.3117849443246814
Energy: 1.226531229390368
Energy: 1.311784944325186
Energy: 1.2265312293908728
Energy: 1.3117849443246814
Energy: 1.3980265375397642
Energy: 1.2255423198919357
Energy: 1.3980265375397642
Energy: 1.2255423198924407
Energy: 1.398026537540269
Energy: 1.2255423198919357
Energy: 1.2168778221710095
Energy: 1.2243116555804217
Energy: 1.2168778221700003
Energy: 1.2243116555804217
Energy: 1.2168778221715142
Energy: 1.2243116555799172
Energy: 1.2688676042808302
Energy: 1.3075774649145073
Energy: 1.268867604281335
Energy: 1.3075774649145073
Energy: 1.2688676042818394
Energy: 1.3075774649145073
Energy: 1.2169657322139964
Energy: 1.202221675618838
Energy: 1.216965732213492
Energy: 1.202221675618838
Energy: 1.2169657322139964
Energy: 1.202221675618838
Energy: 1.387093861375001
Energy: 1.358963952851847
Energy: 1.3870938613734867
Energy: 1.3589639528523516
Energy: 1.387093861374496
Energy: 1.3589639528528563
Energy: 1.3729775098028438
Energy: 1.3375770789951167
Energy: 1.3729775098023391
Energy: 1.3375770789946122
Energy: 1.3729775098038532
Energy: 1.3375770789951167
Energy: 1.2129708911775883
Energy: 1.1684455679600458
Energy: 1.212970891178598
Energy: 1.1684455679600458
Energy: 1.2129708911791024
Energy: 1.1684455679600458
Energy: 1.3728508342705612
Energy: 1.3513334269108697
Energy: 1.3728508342700565
Energy: 1.3513334269108697
Energy: 1.37285083427102
Energy: 1.3513334269108697
Energy: 1.2344328427307993
Energy: 1.3268172208546065
Energy: 1.2344328427307993
Energy: 1.326817220853597
Energy: 1.234432842731304
Energy: 1.3268172208530926
Energy: 1.3023680072021984
Energy: 1.339700118953052
Energy: 1.3023680072027028
Energy: 1.3397001189535567
Energy: 1.3023680072021984
Energy: 1.3397001189535567
Energy: 1.255903256363943
Energy: 1.3250872685303852
Energy: 1.255903256363943
Energy: 1.3250872685303852
Energy: 1.255903256363943
Energy: 1.3250872685303852
Energy: 1.223619599286078
Energy: 1.327273817600993
Energy: 1.223619599286078
Energy: 1.327273817600993
Energy: 1.2236195992855734
Energy: 1.3272738176004883
Energy: 1.3667537100940093
Energy: 1.274838010438158
Energy: 1.3667537100935045
Energy: 1.274838010438158
Energy: 1.366753710094514
Energy: 1.274838010438158
Energy: 1.2198790271038067
Energy: 1.2480487172316617
Energy: 1.2198790271038067
Energy: 1.2480487172316617
Energy: 1.2198790271038067
Energy: 1.2480487172316617

minimum gb energy = 1.1684455679600458 eV
minimum distance =  2.31597947524358 Angstroms
sigma value = 41


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

Energy: 1.5121450394674736
Energy: 1.3903490401989296
Energy: 1.5121450394674736
Energy: 1.3903490401989296
Energy: 1.5121450394688518
Energy: 1.3903490401989296
Energy: 1.383653605021073
Energy: 1.4748413331811352
Energy: 1.383653605021073
Energy: 1.4748413331811352
Energy: 1.383653605021073
Energy: 1.4748413331811352
Energy: 1.592264309835361
Energy: 1.4764136214273875
Energy: 1.5903487861703096
Energy: 1.4764136214273875
Energy: 1.5903487861703096
Energy: 1.4764136214273875
Energy: 1.526889444823721
Energy: 1.497101407356815
Energy: 1.526889444823721
Energy: 1.497101407356815
Energy: 1.526889444823721
Energy: 1.497101407356815
Energy: 1.5007419517411908
Energy: 1.482398638847866
Energy: 1.5007419517425689
Energy: 1.482398638847866
Energy: 1.5007419517411908
Energy: 1.4823986388464883
Energy: 1.6079855656270359
Energy: 1.5360951577894464
Energy: 1.6079855656256579
Energy: 1.5360951577894464
Energy: 1.6079855656270359
Energy: 1.5360951577894464
Energy: 1.5240675956179266
Energy: 1.4056685589436237
Energy: 1.5240675956179266
Energy: 1.4056685589436237
Energy: 1.5240675956179266
Energy: 1.405668558945002
Energy: 1.4709478779563039
Energy: 1.485156679658075
Energy: 1.4709478779563039
Energy: 1.485156679658075
Energy: 1.4709478779563039
Energy: 1.485156679659453
Energy: 1.3841624606140677
Energy: 1.3933647846000623
Energy: 1.3841624606140677
Energy: 1.3933647846000623
Energy: 1.3841624606126897
Energy: 1.3933647846000623
Energy: 1.5179626003549151
Energy: 1.428847497640183
Energy: 1.5179626003549151
Energy: 1.428847497640183
Energy: 1.5179626003549151
Energy: 1.428847497640183
Energy: 1.3841795432284574
Energy: 1.4763426434391664
Energy: 1.3841795432284574
Energy: 1.4763426434391664
Energy: 1.3841795432298352
Energy: 1.4763426434391664
Energy: 1.4649487428802919
Energy: 1.4742175363751338
Energy: 1.4649487428816697
Energy: 1.4742175363751338
Energy: 1.4649487428802919
Energy: 1.4742175363751338
Energy: 1.507051132678347
Energy: 1.495243213304666
Energy: 1.507051132678347
Energy: 1.495243213304666
Energy: 1.507051132678347
Energy: 1.495243213304666
Energy: 1.4990157096799082
Energy: 1.4809169737749908
Energy: 1.4990157096799082
Energy: 1.4809169737736125
Energy: 1.4990157096799082
Energy: 1.4809169737749908

minimum gb energy = 1.383653605021073 eV
minimum distance =  2.28833234292885 Angstroms
sigma value = 11


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

Energy: 1.7011892262222805
Energy: 1.6911289019729971
Energy: 1.701189226222886
Energy: 1.6911289019729971
Energy: 1.701189226222886
Energy: 1.6911289019729971
Energy: 1.485202613237596
Energy: 1.5998851636845306
Energy: 1.485202613237596
Energy: 1.5998851636845306
Energy: 1.485202613237596
Energy: 1.5998851636845306
Energy: 1.6495442677947487
Energy: 1.5918726875469265
Energy: 1.668783419561619
Energy: 1.591872687547532
Energy: 1.649544267795354
Energy: 1.591872687547532
Energy: 1.5947845674030336
Energy: 1.4901044263171288
Energy: 1.5947845674030336
Energy: 1.4901044263171288
Energy: 1.5947845674030336
Energy: 1.4901044263171288
Energy: 1.6251262020881012
Energy: 1.5661187889643275
Energy: 1.6251262020881012
Energy: 1.5661187889643275
Energy: 1.6251262020874957
Energy: 1.5661187889643275
Energy: 1.5632277444228013
Energy: 1.6125972394647443
Energy: 1.5632277444228013
Energy: 1.6125972394647443
Energy: 1.5632277444228013
Energy: 1.6125972394647443
Energy: 1.6138050321048443
Energy: 1.582009868736987
Energy: 1.613805032104239
Energy: 1.5820098687363817
Energy: 1.6138050321048443
Energy: 1.582009868736987
Energy: 1.5739661786514672
Energy: 1.5863294741162726
Energy: 1.5739661786520724
Energy: 1.5863294741162726
Energy: 1.5739661786520724
Energy: 1.5863294741162726
Energy: 1.5921932745571399
Energy: 1.584917013815855
Energy: 1.5921932745571399
Energy: 1.584917013815855
Energy: 1.5921932745571399
Energy: 1.584917013815855
Energy: 1.5670223895911486
Energy: 1.578135833962604
Energy: 1.5670223895911486
Energy: 1.578135833962604
Energy: 1.5670223895911486
Energy: 1.5781358339632092
Energy: 1.5665983200769058
Energy: 1.6279844252577014
Energy: 1.5665983200769058
Energy: 1.6279844252577014
Energy: 1.5665983200769058
Energy: 1.6279844252577014
Energy: 1.6043770541978188
Energy: 1.6242422533621428
Energy: 1.6043770541978188
Energy: 1.6242422533621428
Energy: 1.6043770541978188
Energy: 1.6242422533621428
Energy: 1.5964194016205628
Energy: 1.534149422042977
Energy: 1.5964194016205628
Energy: 1.534149422042977
Energy: 1.5964194016205628
Energy: 1.534149422042977
Energy: 1.581531223747373
Energy: 1.6314114648946387
Energy: 1.5815312237467678
Energy: 1.6314114648946387
Energy: 1.5815312237467678
Energy: 1.6314114648946387
Energy: 1.53181891804489
Energy: 1.551651670297314
Energy: 1.5318189180454953
Energy: 1.551651670297314
Energy: 1.53181891804489
Energy: 1.551651670297314
Energy: 1.614252479102055
Energy: 1.580524049610755
Energy: 1.614252479102055
Energy: 1.5805240496095445
Energy: 1.614252479102055
Energy: 1.580524049610755
Energy: 1.5055592873246506
Energy: 1.594367924805717
Energy: 1.5055592873246506
Energy: 1.594367924805717
Energy: 1.5055592873246506
Energy: 1.594367924806322
Energy: 1.6143573894086543
Energy: 1.6342461762447407
Energy: 1.6143573894086543
Energy: 1.6342461762447407
Energy: 1.6143573894086543
Energy: 1.6342461762447407
Energy: 1.5553216555604674
Energy: 1.4988319649963704
Energy: 1.5553216555604674
Energy: 1.4988319649963704
Energy: 1.5553216555604674
Energy: 1.4988319649963704
Energy: 1.5699786406656746
Energy: 1.5963196635032249
Energy: 1.5699786406644638
Energy: 1.5963196635032249
Energy: 1.5699786406656746
Energy: 1.5963196635032249
Energy: 1.4957746917355734
Energy: 1.532094738113657
Energy: 1.4957746917355734
Energy: 1.5320947381130516
Energy: 1.4957746917361787
Energy: 1.532094738113657
Energy: 1.6560857298170126
Energy: 1.6315170326917363
Energy: 1.6560857298164076
Energy: 1.631517032691131
Energy: 1.6560857298170126
Energy: 1.6315170326917363
Energy: 1.5472623756525679
Energy: 1.5923335361969435
Energy: 1.5472623756525679
Energy: 1.5923335361975488
Energy: 1.5472623756531734
Energy: 1.5923335361975488
Energy: 1.6190070757819004
Energy: 1.594188460890612
Energy: 1.6190070757819004
Energy: 1.5941884608900068
Energy: 1.6190070757819004
Energy: 1.5941884608900068
Energy: 1.5697668259638062
Energy: 1.5872133176100518
Energy: 1.5697668259644115
Energy: 1.5872133176100518
Energy: 1.5697668259644115
Energy: 1.5872133176100518
Energy: 1.5082498802348694
Energy: 1.6106657913488376
Energy: 1.5082498802348694
Energy: 1.6106657913488376
Energy: 1.5082498802348694
Energy: 1.6106657913488376
Energy: 1.5616658744456957
Energy: 1.6418792235796407
Energy: 1.5616658744450906
Energy: 1.6418792235796407
Energy: 1.5616658744456957
Energy: 1.6418792235796407
Energy: 1.6019858506040217
Energy: 1.5322274133434843
Energy: 1.6019858506040217
Energy: 1.5322274133434843
Energy: 1.601985850604627
Energy: 1.5322274133434843
Energy: 1.5798964418980088
Energy: 1.6520847193785189
Energy: 1.5798964418980088
Energy: 1.6520847193785189
Energy: 1.5798964418986143
Energy: 1.6520847193785189
Energy: 1.5351608910197005
Energy: 1.47172563706311
Energy: 1.5351608910203058
Energy: 1.4717256370625047
Energy: 1.5351608910197005
Energy: 1.47172563706311
Energy: 1.5642152674534116
Energy: 1.653413346925303
Energy: 1.5642152674528063
Energy: 1.6534133469259082
Energy: 1.5642152674528063
Energy: 1.653413346925303

minimum gb energy = 1.4717256370625047 eV
minimum distance =  2.25879538585004 Angstroms
sigma value = 57


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

Energy: 1.4837915860204112
Energy: 1.418406656476953
Energy: 1.4837915860204112
Energy: 1.418406656476953
Energy: 1.4837915860204112
Energy: 1.418406656476953
Energy: 1.6124690449172023
Energy: 1.6393084301072145
Energy: 1.6124690449182795
Energy: 1.6393084301072145
Energy: 1.6124690449182795
Energy: 1.6393084301061374
Energy: 1.660778836076538
Energy: 1.5279461629944255
Energy: 1.660778836076538
Energy: 1.5279461629944255
Energy: 1.660778836076538
Energy: 1.5279461629944255
Energy: 1.5034579909749948
Energy: 1.4907960636356568
Energy: 1.5034579909749948
Energy: 1.4907960636356568
Energy: 1.5034579909749948
Energy: 1.4907960636356568
Energy: 1.660585695697
Energy: 1.5280074006681619
Energy: 1.6605856956959228
Energy: 1.528007400669239
Energy: 1.6605856956959228
Energy: 1.528007400669239
Energy: 1.6126556159973422
Energy: 1.5821909862774466
Energy: 1.6126556159973422
Energy: 1.448346314756896
Energy: 1.6126556159973422
Energy: 1.4483463147558187
Energy: 1.4837915860204112
Energy: 1.4184066564780304
Energy: 1.4837915860204112
Energy: 1.4184066564780304
Energy: 1.4837915860204112
Energy: 1.4184066564780304
Energy: 1.6124690449193568
Energy: 1.6393084301072145
Energy: 1.6124690449193568
Energy: 1.6393084301072145
Energy: 1.6124690449193568
Energy: 1.6393084301050604
Energy: 1.6607788360754607
Energy: 1.5279461629944255
Energy: 1.6607788360754607
Energy: 1.5279461629933484
Energy: 1.6607788360754607
Energy: 1.5279461629944255
Energy: 1.5034579909749948
Energy: 1.6804466904027
Energy: 1.5034579909749948
Energy: 1.6804466904027
Energy: 1.5034579909749948
Energy: 1.6804466904027
Energy: 1.660585695697
Energy: 1.5280074006703164
Energy: 1.6605856956959228
Energy: 1.5280074006703164
Energy: 1.660585695697
Energy: 1.5280074006703164
Energy: 1.6126556159962648
Energy: 1.4483463147558187
Energy: 1.6126556159962648
Energy: 1.4483463147558187
Energy: 1.6126556159962648
Energy: 1.4483463147558187
Energy: 1.4837915860204112
Energy: 1.418406656476953
Energy: 1.4837915860204112
Energy: 1.418406656476953
Energy: 1.4837915860204112
Energy: 1.418406656476953
Energy: 1.6124690449182795
Energy: 1.6393084301072145
Energy: 1.6124690449182795
Energy: 1.6393084301072145
Energy: 1.6124690449182795
Energy: 1.6393084301061374
Energy: 1.660778836076538
Energy: 1.5279461629944255
Energy: 1.660778836076538
Energy: 1.5279461629944255
Energy: 1.660778836076538
Energy: 1.5279461629944255
Energy: 1.5034579909760721
Energy: 1.4288332219624489
Energy: 1.5034579909749948
Energy: 1.4288332219613717
Energy: 1.5034579909749948
Energy: 1.4288332219624489
Energy: 1.660585695697
Energy: 1.528007400669239
Energy: 1.6605856956959228
Energy: 1.528007400669239
Energy: 1.6605856956959228
Energy: 1.528007400669239

minimum gb energy = 1.418406656476953 eV
minimum distance =  2.29744225352631 Angstroms
sigma value = 9


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

Energy: 1.6125127586677295
Energy: 1.51819189063487
Energy: 1.6125127586677295
Energy: 1.51819189063487
Energy: 1.6125127586668897
Energy: 1.5181918906357494
Energy: 1.5687201243845788
Energy: 1.5691958439924758
Energy: 1.5687201243845788
Energy: 1.5691958439924758
Energy: 1.5687201243845788
Energy: 1.5691958439924758
Energy: 1.6274751675000165
Energy: 1.559205457905529
Energy: 1.557493296965634
Energy: 1.559205457905529
Energy: 1.6274751675000165
Energy: 1.559205457905529
Energy: 1.526008456048342
Energy: 1.6576050837122898
Energy: 1.526008456048342
Energy: 1.6576050837131695
Energy: 1.526008456048342
Energy: 1.6576050837131695
Energy: 1.561742363450205
Energy: 1.5797329423353157
Energy: 1.561742363450205
Energy: 1.5797329423353157
Energy: 1.561742363450205
Energy: 1.5797329423353157
Energy: 1.577661924513285
Energy: 1.5703035186690324
Energy: 1.5776619245141648
Energy: 1.570303518668153
Energy: 1.577661924513285
Energy: 1.5703035186690324
Energy: 1.5489116831191756
Energy: 1.5902685355252324
Energy: 1.5489116831191756
Energy: 1.5902685355252324
Energy: 1.5489116831191756
Energy: 1.590268535524353
Energy: 1.5385567273359457
Energy: 1.604885009529667
Energy: 1.5385567273359457
Energy: 1.6048850095305467
Energy: 1.5385567273350662
Energy: 1.6048850095305467
Energy: 1.7085511870356371
Energy: 1.6248451523394951
Energy: 1.7085511870356371
Energy: 1.6248451523394951
Energy: 1.7085511870356371
Energy: 1.6248451523386152
Energy: 1.551214343137864
Energy: 1.5555744361826283
Energy: 1.5512143431387437
Energy: 1.5555744361826283
Energy: 1.551214343137864
Energy: 1.5555744361826283
Energy: 1.5467515182336236
Energy: 1.5669726707844494
Energy: 1.5467515182336236
Energy: 1.5669726707844494
Energy: 1.5467515182336236
Energy: 1.5669726707844494
Energy: 1.6331234407228157
Energy: 1.5694432495155897
Energy: 1.6331234407228157
Energy: 1.5694432495155897
Energy: 1.6331234407228157
Energy: 1.5694432495155897
Energy: 1.523549615689175
Energy: 1.6099512936069964
Energy: 1.523549615689175
Energy: 1.6099512936078757
Energy: 1.523549615689175
Energy: 1.6099512936069964
Energy: 1.5873750334385381
Energy: 1.5561500344930355
Energy: 1.5873750334385381
Energy: 1.556150034492156
Energy: 1.5873750334376586
Energy: 1.556150034492156
Energy: 1.5780213091240791
Energy: 1.54321233642967
Energy: 1.5780213091240791
Energy: 1.5432123364287904
Energy: 1.5780213091240791
Energy: 1.54321233642967
Energy: 1.613619521472042
Energy: 1.5657873321306899
Energy: 1.613619521472042
Energy: 1.5657873321298104
Energy: 1.613619521472042
Energy: 1.5657873321306899
Energy: 1.601054553253694
Energy: 1.6185759436386682
Energy: 1.6010545532545735
Energy: 1.618575943639548
Energy: 1.601054553253694
Energy: 1.6185759436386682
Energy: 1.755560813627477
Energy: 1.54559361919968
Energy: 1.7555608136265974
Energy: 1.54559361919968
Energy: 1.7555608136265974
Energy: 1.54559361919968
Energy: 1.5460848955757895
Energy: 1.5608173740114573
Energy: 1.546084895576669
Energy: 1.5608173740114573
Energy: 1.546084895576669
Energy: 1.5608173740114573
Energy: 1.557039197058746
Energy: 1.5129317203623152
Energy: 1.557039197058746
Energy: 1.5129317203614356
Energy: 1.5570391970578668
Energy: 1.5129317203614356
Energy: 1.6350686131021215
Energy: 1.6032038666647412
Energy: 1.6350686131021215
Energy: 1.6032038666647412
Energy: 1.6350686131021215
Energy: 1.6032038666638615

minimum gb energy = 1.5129317203614356 eV
minimum distance =  2.28398811029119 Angstroms
sigma value = 27


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

Energy: 1.6686944539949546
Energy: 1.9078571719544277
Energy: 1.6254499757408274
Energy: 1.9078571719544277
Energy: 1.6686944539949546
Energy: 1.9078571719559108
Energy: 1.661706105023105
Energy: 1.596604222811212
Energy: 1.6617061050238466
Energy: 1.5966042228119532
Energy: 1.661706105023105
Energy: 1.5966042228134363
Energy: 1.5417580550417
Energy: 1.5501771843395977
Energy: 1.5417580550409586
Energy: 1.5501771843395977
Energy: 1.5417580550417
Energy: 1.5501771843395977
Energy: 1.5099322198381426
Energy: 1.6551243494144896
Energy: 1.509932219837401
Energy: 1.6551243494122654
Energy: 1.509932219837401
Energy: 1.6551243494137482
Energy: 1.508874358125639
Energy: 1.6184338164479262
Energy: 1.508874358125639
Energy: 1.6184338164479262
Energy: 1.5088743581263804
Energy: 1.6184338164479262
Energy: 1.5815378842654886
Energy: 1.6404849870645226
Energy: 1.581537884264006
Energy: 1.640484987063781
Energy: 1.5815378842654886
Energy: 1.640484987063781
Energy: 1.5346721942095765
Energy: 1.6462637428942366
Energy: 1.5346721942088353
Energy: 1.6462637428942366
Energy: 1.5346721942095765
Energy: 1.6462637428942366
Energy: 1.6221551769952252
Energy: 1.5990713326518178
Energy: 1.6221551769952252
Energy: 1.5990713326510766
Energy: 1.622155176994484
Energy: 1.5990713326533006
Energy: 1.7162480324345573
Energy: 1.5099253781990691
Energy: 1.7162426531667723
Energy: 1.5099253781998108
Energy: 1.7162480324345573
Energy: 1.5099253781990691
Energy: 1.6394104949163568
Energy: 1.582678076022374
Energy: 1.6394660032316979
Energy: 1.582678076022374
Energy: 1.6394104949163568
Energy: 1.5826780760238566
Energy: 1.6393964634349671
Energy: 1.605577250208288
Energy: 1.6395084236002138
Energy: 1.605577250208288
Energy: 1.6393964634342255
Energy: 1.605577250206805
Energy: 1.643063339186993
Energy: 1.5356131142053082
Energy: 1.6430633391877345
Energy: 1.5356131142060496
Energy: 1.643063339186993
Energy: 1.5356131142053082
Energy: 1.5759972717472077
Energy: 1.6576298114905317
Energy: 1.5759972717479493
Energy: 1.6576298114905317
Energy: 1.5759972717472077
Energy: 1.6576298114905317
Energy: 1.510332061315135
Energy: 1.561951439883873
Energy: 1.510332061315135
Energy: 1.561951439883873
Energy: 1.510332061315135
Energy: 1.5619514398831318
Energy: 1.6596781516064376
Energy: 1.6377782393793818
Energy: 1.6575606603401312
Energy: 1.6377782393793818
Energy: 1.6596781516064376
Energy: 1.6377782393771578
Energy: 1.600361188420359
Energy: 1.618616012597718
Energy: 1.600361188420359
Energy: 1.6186160125984594
Energy: 1.600361188420359
Energy: 1.618616012597718
Energy: 1.4732456460744099
Energy: 1.5414782465795618
Energy: 1.4732456460744099
Energy: 1.5414782465795618
Energy: 1.4732456460744099
Energy: 1.5414782465803034
Energy: 1.654831419679146
Energy: 1.5582461877720264
Energy: 1.654831419679146
Energy: 1.558246187771285
Energy: 1.6548314196784049
Energy: 1.5582461877705434
Energy: 1.5730308125924337
Energy: 1.557951687757133
Energy: 1.528114145387238
Energy: 1.557951687757133
Energy: 1.5730308125924337
Energy: 1.557951687757133
Energy: 1.6686944539942132
Energy: 1.9078571719544277
Energy: 1.6254499757393444
Energy: 1.9078571719544277
Energy: 1.6686944539942132
Energy: 1.9078571719559108
Energy: 1.661706105023105
Energy: 1.5966042228126949
Energy: 1.6617061050238466
Energy: 1.5966042228126949
Energy: 1.661706105023105
Energy: 1.5966042228141777
Energy: 1.5417580550417
Energy: 1.550177184338856
Energy: 1.5417580550402175
Energy: 1.550177184338856
Energy: 1.5417580550424415
Energy: 1.550177184338856
Energy: 1.5099322198381426
Energy: 1.6551243494130066
Energy: 1.5099322198381426
Energy: 1.6551243494137482
Energy: 1.5099322198381426
Energy: 1.6551243494137482
Energy: 1.5088743581248976
Energy: 1.6184338164486676
Energy: 1.508874358124156
Energy: 1.6184338164494088
Energy: 1.508874358125639
Energy: 1.6184338164486676
Energy: 1.5815378842654886
Energy: 1.6404849870622984
Energy: 1.581537884264006
Energy: 1.6404849870645226
Energy: 1.5815378842654886
Energy: 1.640484987063781

minimum gb energy = 1.4732456460744099 eV
minimum distance =  2.26343792335058 Angstroms
sigma value = 19


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

Energy: 1.5209150712826554
Energy: 1.759080910300789
Energy: 1.5209150712832953
Energy: 1.759080910300789
Energy: 1.5209150712826554
Energy: 1.759080910300789
Energy: 1.5769757753570746
Energy: 1.5696467182105294
Energy: 1.5769757753570746
Energy: 1.5696467182111693
Energy: 1.5769757753570746
Energy: 1.5696467182105294
Energy: 1.6026321997970563
Energy: 1.4769011646382157
Energy: 1.6026321997970563
Energy: 1.4769011646375756
Energy: 1.6026321997976964
Energy: 1.4769011646388557
Energy: 1.468304021965141
Energy: 1.5832220032686843
Energy: 1.468304021965141
Energy: 1.5832220032680444
Energy: 1.468304021965141
Energy: 1.5832220032680444
Energy: 1.5607537149355328
Energy: 1.5985795658623998
Energy: 1.5607537149355328
Energy: 1.5985795658623998
Energy: 1.5607537149355328
Energy: 1.5985795658623998
Energy: 1.6131072562073299
Energy: 1.4760122949182335
Energy: 1.6131072562066897
Energy: 1.4760122949188734
Energy: 1.6131072562073299
Energy: 1.4760122949188734
Energy: 1.4750051667754238
Energy: 1.6908925697524264
Energy: 1.4750051667754238
Energy: 1.6908925697524264
Energy: 1.4750051667754238
Energy: 1.6908925697530663
Energy: 1.4957237672158215
Energy: 1.6931756120454333
Energy: 1.4957237672158215
Energy: 1.6931756120447936
Energy: 1.4957237672158215
Energy: 1.6931756120447936
Energy: 1.651782635410597
Energy: 1.4466284517466264
Energy: 1.6517826354112368
Energy: 1.4466284517466264
Energy: 1.6517826354112368
Energy: 1.4466284517459864
Energy: 1.578274124965003
Energy: 1.5577512257087773
Energy: 1.578274124965643
Energy: 1.5577512257087773
Energy: 1.5782741249643633
Energy: 1.5577512257087773
Energy: 1.457730416523436
Energy: 1.6116072746375534
Energy: 1.457730416523436
Energy: 1.6116072746375534
Energy: 1.457730416523436
Energy: 1.6116072746381935
Energy: 1.59289457558156
Energy: 1.4768919413153776
Energy: 1.59289457558156
Energy: 1.4768919413153776
Energy: 1.59289457558156
Energy: 1.4768919413153776
Energy: 1.5533109722281815
Energy: 1.5181877697914539
Energy: 1.5533109722275416
Energy: 1.5181877697914539
Energy: 1.5533109722275416
Energy: 1.5181877697920936
Energy: 1.4743960149466568
Energy: 1.5800371879465127
Energy: 1.4743960149466568
Energy: 1.5800371879465127
Energy: 1.4743960149460167
Energy: 1.5800371879465127
Energy: 1.6371000627992423
Energy: 1.4692300193929828
Energy: 1.6371000627992423
Energy: 1.469230019393623
Energy: 1.6371000627992423
Energy: 1.469230019393623
Energy: 1.6016518464662481
Energy: 1.4467271599648024
Energy: 1.601651846466888
Energy: 1.4467271599654423
Energy: 1.601651846466888
Energy: 1.4467271599654423
Energy: 1.4847282108435176
Energy: 1.5585421790081693
Energy: 1.4847282108428776
Energy: 1.5585421790081693
Energy: 1.4847282108428776
Energy: 1.5585421790081693
Energy: 1.5562721872638514
Energy: 1.583989657104661
Energy: 1.5562721872638514
Energy: 1.583989657104661
Energy: 1.5562721872638514
Energy: 1.583989657104021
Energy: 1.5890888903507405
Energy: 1.4749192054548834
Energy: 1.5890888903507405
Energy: 1.4749192054548834
Energy: 1.5890888903513805
Energy: 1.4749192054548834
Energy: 1.4973413586746627
Energy: 1.5738365460451706
Energy: 1.4973413586740227
Energy: 1.5738365460451706
Energy: 1.4973413586746627
Energy: 1.5738365460451706
Energy: 1.4761761486735827
Energy: 1.6789360895843004
Energy: 1.4761761486742222
Energy: 1.6789360895843004
Energy: 1.4761761486742222
Energy: 1.6789360895843004
Energy: 1.6584518667030066
Energy: 1.476392012540857
Energy: 1.6584518667030066
Energy: 1.476392012540857
Energy: 1.6584518667030066
Energy: 1.476392012540857
Energy: 1.6059264407907687
Energy: 1.5420254279983179
Energy: 1.6059264407914084
Energy: 1.5420254279983179
Energy: 1.6059264407907687
Energy: 1.5420254279976782
Energy: 1.5087214801485542
Energy: 1.5876229448875472
Energy: 1.5087214801479143
Energy: 1.5876229448875472
Energy: 1.5087214801479143
Energy: 1.5876229448875472
Energy: 1.5527571291580957
Energy: 1.4832927041824744
Energy: 1.5527571291580957
Energy: 1.4832927041831143
Energy: 1.5527571291580957
Energy: 1.4832927041831143
Energy: 1.592481932861819
Energy: 1.496983047476876
Energy: 1.592481932861819
Energy: 1.496983047476236
Energy: 1.592481932861819
Energy: 1.496983047476236
Energy: 1.4507294140454916
Energy: 1.5855481276488388
Energy: 1.4507294140454916
Energy: 1.5855481276488388
Energy: 1.4507294140454916
Energy: 1.5855481276481989
Energy: 1.5926008591908882
Energy: 1.4752353636825022
Energy: 1.5926008591908882
Energy: 1.4752353636825022
Energy: 1.5926008591908882
Energy: 1.4752353636825022
Energy: 1.5567530312359106
Energy: 1.4746863746676717
Energy: 1.5567530312352706
Energy: 1.4746863746683119
Energy: 1.5567530312352706
Energy: 1.4746863746676717

minimum gb energy = 1.4466284517459864 eV
minimum distance =  2.27558298404075 Angstroms
sigma value = 101


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

Energy: 1.4268625219869064
Energy: 1.6069457961407863
Energy: 1.4268625219863438
Energy: 1.6069457961407863
Energy: 1.4268625219869064
Energy: 1.6069457961402238
Energy: 1.5704093348704935
Energy: 1.484327234518334
Energy: 1.5704093348699308
Energy: 1.4843272345177716
Energy: 1.5704093348704935
Energy: 1.4843272345177716
Energy: 1.5169161751983709
Energy: 1.4067307497919173
Energy: 1.5169161751972458
Energy: 1.4067307497919173
Energy: 1.5169161751989335
Energy: 1.4067307497919173
Energy: 1.3678473946838763
Energy: 1.6075790284736782
Energy: 1.3678473946833136
Energy: 1.5698497456714622
Energy: 1.3678473946844387
Energy: 1.5698497456697744
Energy: 1.4739234453484698
Energy: 1.4606295442970747
Energy: 1.4739234453484698
Energy: 1.4606295442970747
Energy: 1.4739234453490322
Energy: 1.4606295442970747
Energy: 1.5631608998121636
Energy: 1.386573993916307
Energy: 1.563160899812726
Energy: 1.3865739939157447
Energy: 1.563160899812726
Energy: 1.3865739939157447
Energy: 1.4026061047523108
Energy: 1.5271261351965557
Energy: 1.402606104750623
Energy: 1.5271261351954306
Energy: 1.4026061047517482
Energy: 1.5271261351965557
Energy: 1.3670101823025445
Energy: 1.511730728176914
Energy: 1.3670101823014191
Energy: 1.5117307281774766
Energy: 1.3670101823025445
Energy: 1.5117307281791643
Energy: 1.5753987560708456
Energy: 1.3883027401186707
Energy: 1.575398756070283
Energy: 1.3883027401175456
Energy: 1.575398756070283
Energy: 1.3883027401186707
Energy: 1.5373076261155478
Energy: 1.4789655927780405
Energy: 1.5373076261149854
Energy: 1.5025048915809576
Energy: 1.5373076261149854
Energy: 1.5025048915809576
Energy: 1.366818845361155
Energy: 1.7150405910537967
Energy: 1.3668188453605923
Energy: 1.7150405910537967
Energy: 1.3668188453605923
Energy: 1.7150405910537967
Energy: 1.4733437560388603
Energy: 1.439984496170215
Energy: 1.4733437560377352
Energy: 1.4399844961713402
Energy: 1.4733437560388603
Energy: 1.4399844961707775
Energy: 1.5230058863153269
Energy: 1.4073481361448268
Energy: 1.5230058863147642
Energy: 1.4073481361453895
Energy: 1.5230058863147642
Energy: 1.4073481361453895
Energy: 1.4268521470125914
Energy: 1.5792451978258846
Energy: 1.4268521470114663
Energy: 1.6311055625968789
Energy: 1.426852147012029
Energy: 1.6311055625974413
Energy: 1.5198956427523675
Energy: 1.4491082192212632
Energy: 1.5198956427523675
Energy: 1.4491082192212632
Energy: 1.5198956427523675
Energy: 1.4491082192212632
Energy: 1.5168694072943805
Energy: 1.4092602146221382
Energy: 1.5168694072949427
Energy: 1.4092602146221382
Energy: 1.5168694072943805
Energy: 1.409260214622701
Energy: 1.3668114157838716
Energy: 1.576355916376235
Energy: 1.3668114157833093
Energy: 1.576355916376235
Energy: 1.3668114157833093
Energy: 1.576355916376235
Energy: 1.3604825888801555
Energy: 1.51293269542868
Energy: 1.360482588879593
Energy: 1.5129326954281175
Energy: 1.3604825888790304
Energy: 1.51293269542868
Energy: 1.5621955186721288
Energy: 1.3866587982009748
Energy: 1.5621955186721288
Energy: 1.3866587982009748
Energy: 1.5621955186721288
Energy: 1.3866587982009748
Energy: 1.4406619319116087
Energy: 1.5255942373776623
Energy: 1.4406619319116087
Energy: 1.5255942373776623
Energy: 1.4406619319116087
Energy: 1.5255942373776623
Energy: 1.3868299031736715
Energy: 1.6975993096671202
Energy: 1.3868299031742342
Energy: 1.6975993096665576
Energy: 1.3868299031736715
Energy: 1.6975993096665576
Energy: 1.716673546126113
Energy: 1.3867528530157451
Energy: 1.7166735461266756
Energy: 1.38675285301462
Energy: 1.716673546126113
Energy: 1.3867528530151825
Energy: 1.5892431193922247
Energy: 1.387381106083278
Energy: 1.5892431193922247
Energy: 1.3873811060838404
Energy: 1.5892431193922247
Energy: 1.387381106083278
Energy: 1.3676493907218976
Energy: 1.6026196239894042
Energy: 1.3676493907230227
Energy: 1.6026196239888415
Energy: 1.36764939072246
Energy: 1.6026196239888415
Energy: 1.4699462092750082
Energy: 1.4370156888256025
Energy: 1.4699462092761333
Energy: 1.4370156888250403
Energy: 1.4699462092755708
Energy: 1.4370156888244776
Energy: 1.5247250935354162
Energy: 1.4067454078331523
Energy: 1.5247250935342913
Energy: 1.4067454078337147
Energy: 1.5247250935342913
Energy: 1.4067454078337147
Energy: 1.4271178881077606
Energy: 1.5563010937916861
Energy: 1.4271178881077606
Energy: 1.5563010937916861
Energy: 1.4271178881088857
Energy: 1.5563010937916861
Energy: 1.4272932315686262
Energy: 1.5192514194996736
Energy: 1.4272932315686262
Energy: 1.5192514194996736
Energy: 1.4272932315703137
Energy: 1.5192514194996736
Energy: 1.6028262878032908
Energy: 1.4066523559496096
Energy: 1.602826287802728
Energy: 1.4066523559501722
Energy: 1.602826287802728
Energy: 1.4066523559501722
Energy: 1.436312596240206
Energy: 1.543184897151476
Energy: 1.4363125962396432
Energy: 1.5431848971509137
Energy: 1.4363125962396432
Energy: 1.5431848971509137
Energy: 1.3668852870140722
Energy: 1.5247692105102666
Energy: 1.3668852870140722
Energy: 1.5247692105102666
Energy: 1.3668852870140722
Energy: 1.5247692105102666
Energy: 1.5873020140549965
Energy: 1.3865845796827725
Energy: 1.5873020140544338
Energy: 1.3865845796838974
Energy: 1.5873020140544338
Energy: 1.3865845796838974
Energy: 1.5586000038844354
Energy: 1.3870879972722499
Energy: 1.5586000038838728
Energy: 1.3870879972716872
Energy: 1.5586000038838728
Energy: 1.3870879972728125

minimum gb energy = 1.3604825888790304 eV
minimum distance =  2.29676817294647 Angstroms
sigma value = 33


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

Energy: 0.020522329509154422
Energy: 1.229329388523231
Energy: 0.020522329509154422
Energy: 1.229329388523231
Energy: 0.020522329509154422
Energy: 1.229329388523231
Energy: 0.02136247763165169
Energy: 0.4554131805530239
Energy: 0.02136247763165169
Energy: 0.4554131805530239
Energy: 0.021362477631184294
Energy: 0.4554131805534912
Energy: 1.2299189824938255
Energy: 0.45463930961830706
Energy: 1.2298619024289552
Energy: 0.454639304306494
Energy: 1.2299222068309652
Energy: 0.4546393075654267
Energy: 0.021362477630249486
Energy: 0.4554131805530239
Energy: 0.02136247762978209
Energy: 0.4554131805526084
Energy: 0.02136247762978209
Energy: 0.4554131805530239

minimum gb energy = 0.020522329509154422 eV
minimum distance =  2.48527387779541 Angstroms
sigma value = 1