Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.646125234663486
cohesive_energy=3.9070925642619274
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014877483402819918
Energy: 1.645357862241983
Energy: 0.014877483402819918
Energy: 1.6453578622425993
Energy: 0.014877483402819918
Energy: 1.645357862241983
Energy: 1.6453578622417089
Energy: 0.015804051601266727
Energy: 1.6453578622417089
Energy: 0.015804051599143044
Energy: 1.645357862241983
Energy: 0.015804051599143044
Energy: 0.014877483402819918
Energy: 1.645357862241983
Energy: 0.014877483402819918
Energy: 1.645357862242291
Energy: 0.014877483402819918
Energy: 1.645357862242291
Energy: 1.645357862241983
Energy: 0.015804051598560742
Energy: 1.645357862241983
Energy: 0.015804051598252464
Energy: 1.645357862242291
Energy: 0.015804051599759596
Energy: 0.014877483402819918
Energy: 1.6453578622417089
Energy: 0.014877483402819918
Energy: 1.645357862242291
Energy: 0.014877483402819918
Energy: 1.645357862242291
Energy: 1.645357862242291
Energy: 0.015804051599759596
Energy: 1.645357862242291
Energy: 0.015804051599759596
Energy: 1.645357862241983
Energy: 0.01580405159945132

minimum gb energy = 0.014877483402819918 eV
minimum distance =  2.57514834794691 Angstroms
sigma value = 1


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

Energy: 1.862443350488611
Energy: 1.6642944882008661
Energy: 1.8624433504900952
Energy: 1.66429448820235
Energy: 1.8624433504893532
Energy: 1.66429448820235
Energy: 1.9662029629733622
Energy: 1.5173632006627493
Energy: 1.9662029629755886
Energy: 1.5173632006627493
Energy: 1.9662029629741045
Energy: 1.5173632006627493
Energy: 1.7129805238911386
Energy: 1.7503253833866526
Energy: 1.7129805238918807
Energy: 1.7503253833836845
Energy: 1.7129805238933646
Energy: 1.7503253833851686
Energy: 1.876018063434716
Energy: 1.6364264922344838
Energy: 1.876018063430264
Energy: 1.636426492235226
Energy: 1.8760180634362
Energy: 1.636426492235226
Energy: 1.7311459435369647
Energy: 1.873528299651481
Energy: 1.7311459435362229
Energy: 1.873528299651481
Energy: 1.7311459435362229
Energy: 1.873528299650739
Energy: 1.7989882799761543
Energy: 1.5977356751623573
Energy: 1.7989882799761543
Energy: 1.5977356751616152
Energy: 1.7989882799776382
Energy: 1.5977356751630993
Energy: 1.7165751763299872
Energy: 1.8184958394862756
Energy: 1.716575176327019
Energy: 1.8184958394907276
Energy: 1.716575176327019
Energy: 1.8184958394877595
Energy: 1.6199217005360431
Energy: 1.938897940895919
Energy: 1.6199217005404956
Energy: 1.9388979408996292
Energy: 1.6199217005427218
Energy: 1.9388979408996292
Energy: 1.8220216939444247
Energy: 1.8206943658062356
Energy: 1.8220216939444247
Energy: 1.8206943658047514
Energy: 1.8220216939444247
Energy: 1.8206943658054935
Energy: 1.5089124138043477
Energy: 1.9252701086433441
Energy: 1.5089124138050898
Energy: 1.9252701086426018
Energy: 1.5089124138043477
Energy: 1.9252701086433441
Energy: 1.7503559112101543
Energy: 1.609060518220616
Energy: 1.750355911207928
Energy: 1.609060518220616
Energy: 1.7503559112094125
Energy: 1.6090605182213578
Energy: 1.435076897230591
Energy: 1.8588730763194412
Energy: 1.4350768972298489
Energy: 1.858873076315731
Energy: 1.435076897230591
Energy: 1.858873076316473
Energy: 1.97092383616112
Energy: 1.4125799766177967
Energy: 1.97092383616112
Energy: 1.4125799766177967
Energy: 1.97092383616112
Energy: 1.4125799766177967
Energy: 1.62216689082278
Energy: 1.730929931848747
Energy: 1.622166890822038
Energy: 1.7309299318509732
Energy: 1.62216689082278
Energy: 1.730929931848005
Energy: 2.038218840948901
Energy: 1.5161415205858582
Energy: 2.038218840947417
Energy: 1.516141520584374
Energy: 2.0382188409496433
Energy: 1.516141520584374
Energy: 2.0283144777167195
Energy: 1.794568753349398
Energy: 2.028314477717461
Energy: 1.7945687533486556
Energy: 2.0283144777182036
Energy: 1.7945687533486556
Energy: 1.8011796531191568
Energy: 1.7481207505776821
Energy: 1.8011796531198987
Energy: 1.7481207505761978
Energy: 1.8011796531236088
Energy: 1.7481207505724876
Energy: 1.8008576268356002
Energy: 1.6426836107345377
Energy: 1.8008576268356002
Energy: 1.6426836107367642
Energy: 1.8008576268348584
Energy: 1.6426836107345377
Energy: 1.6367845806581518
Energy: 1.6358300096489995
Energy: 1.636784580658894
Energy: 1.6358300096504839
Energy: 1.6367845806603785
Energy: 1.63583000965271
Energy: 1.7767540094303707
Energy: 1.5982483439666695
Energy: 1.7767540094340808
Energy: 1.5982483439644433
Energy: 1.776754009435565
Energy: 1.5982483439651851
Energy: 1.5353848276868771
Energy: 1.893301473452696
Energy: 1.5353848276868771
Energy: 1.8933014734556646
Energy: 1.5353848276861353
Energy: 1.8933014734482438
Energy: 1.8245931115882652
Energy: 1.8216791864743151
Energy: 1.8245931115927179
Energy: 1.8216791864743151
Energy: 1.8245931115897496
Energy: 1.8216791864743151
Energy: 1.4141513847889742
Energy: 1.9662170481862047
Energy: 1.41415138478749
Energy: 1.9662170481891732
Energy: 1.4141513847889742
Energy: 1.9662170481884311

minimum gb energy = 1.4125799766177967 eV
minimum distance =  2.35267834299693 Angstroms
sigma value = 33


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

Energy: 1.9060297683781473
Energy: 1.929105082664642
Energy: 1.906029768377303
Energy: 1.929105082664642
Energy: 1.906029768377303
Energy: 1.9291050826637977
Energy: 1.8051982061120475
Energy: 1.6781965280001618
Energy: 1.8051982061090928
Energy: 1.6781965279997395
Energy: 1.805198206109515
Energy: 1.6781965279997395
Energy: 1.4515404322045549
Energy: 1.6768612696667904
Energy: 1.4515404322041325
Energy: 1.676861269668901
Energy: 1.4515404322041325
Energy: 1.676861269668901
Energy: 1.8345876333221338
Energy: 1.8339761656040858
Energy: 1.8345876333217117
Energy: 1.8339761656015536
Energy: 1.8345876333221338
Energy: 1.8339761656015536
Energy: 1.679432131703599
Energy: 1.752855762242158
Energy: 1.6794321317057095
Energy: 1.7528557622451126
Energy: 1.6794321317052874
Energy: 1.75285576224047
Energy: 1.7197211685369342
Energy: 1.4518509579714811
Energy: 1.7197211685377785
Energy: 1.4518509579719034
Energy: 1.7197211685352458
Energy: 1.4518509579710592
Energy: 1.928769689997764
Energy: 1.9012096260980988
Energy: 1.9287696899952316
Energy: 1.9012096260985212
Energy: 1.928769689992699
Energy: 1.9012096260980988
Energy: 1.4447149598591784
Energy: 1.8943280366630832
Energy: 1.4447149598591784
Energy: 1.8943280366651554
Energy: 1.4447149598600226
Energy: 1.894328036657174
Energy: 1.541248796469959
Energy: 1.4566439524797508
Energy: 1.5412487964703812
Energy: 1.4566439524801729
Energy: 1.541248796469959
Energy: 1.4566439524797508
Energy: 1.4161907718220426
Energy: 1.4496536229939894
Energy: 1.4161907718233089
Energy: 1.4577371794247527
Energy: 1.4161907718216207
Energy: 1.4531392598103987
Energy: 1.4624277374363237
Energy: 1.4210109325928508
Energy: 1.4623855955422727
Energy: 1.4210109325928508
Energy: 1.4622052008960698
Energy: 1.4210109325924287
Energy: 1.4533006969024749
Energy: 1.5426594322213063
Energy: 1.4533006969020528
Energy: 1.5426594322217284
Energy: 1.4533006969016307
Energy: 1.5426594322213063
Energy: 1.9611087364898974
Energy: 1.4439720890209458
Energy: 1.9611087364865207
Energy: 1.4439720890209458
Energy: 1.9611087364898974
Energy: 1.4439720890209458
Energy: 1.8954280111065134
Energy: 1.9291137198277872
Energy: 1.8954280111056694
Energy: 1.92911371983243
Energy: 1.8954280111056694
Energy: 1.9291137198269432
Energy: 1.7058694542470056
Energy: 1.677595978932174
Energy: 1.705869454248272
Energy: 1.6775959789296413
Energy: 1.7058694542461614
Energy: 1.6775959789309078
Energy: 1.4519392316574968
Energy: 1.677120888568478
Energy: 1.4519392316587632
Energy: 1.677120888568478
Energy: 1.451939231657919
Energy: 1.6771208885701665
Energy: 1.8328338408025446
Energy: 1.8344103610249027
Energy: 1.8328338408017006
Energy: 1.834410361019838
Energy: 1.83283384079959
Energy: 1.834410361019838
Energy: 1.6767234710921075
Energy: 1.4520259284752062
Energy: 1.6767234710933736
Energy: 1.4520259284752062
Energy: 1.676723471093796
Energy: 1.4520259284760504
Energy: 1.6820800812856405
Energy: 1.7052518154552756
Energy: 1.682080081288173
Energy: 1.7052518154552756
Energy: 1.6820800812873289
Energy: 1.7052518154565417
Energy: 1.9315464911922453
Energy: 1.897602688800723
Energy: 1.9315464911930895
Energy: 1.8976026888003006
Energy: 1.9315464911930895
Energy: 1.897602688800723
Energy: 1.4436220961032356
Energy: 1.960819859710795
Energy: 1.4436220961028134
Energy: 1.9608198597120612
Energy: 1.4436220961028134
Energy: 1.9608198597171262
Energy: 1.676716304428606
Energy: 1.4569431243706672
Energy: 1.6767163044260738
Energy: 1.456943124370245
Energy: 1.6767163044239632
Energy: 1.456943124370245
Energy: 1.4163624306701537
Energy: 1.453894723886872
Energy: 1.4163624306701537
Energy: 1.449249215317867
Energy: 1.4163624306701537
Energy: 1.4490487999248667
Energy: 1.8580473371284956
Energy: 1.6785166165659018
Energy: 1.8580473371297612
Energy: 1.6785166165659018
Energy: 1.858047337127229
Energy: 1.6785166165663237
Energy: 1.4516998821313296
Energy: 1.7206747850807023
Energy: 1.4516998821296416
Energy: 1.7206747850790138
Energy: 1.4516998821296416
Energy: 1.720674785078592
Energy: 1.894183737295502
Energy: 1.9333496565703752
Energy: 1.894183737294236
Energy: 1.9333496565657324
Energy: 1.8941837372938137
Energy: 1.9333496565653103
Energy: 1.894316399693815
Energy: 1.9333294747652128
Energy: 1.894316399694237
Energy: 1.933329474766479
Energy: 1.8943163996908603
Energy: 1.9333294747690117
Energy: 1.4514858224725626
Energy: 1.720728790898803
Energy: 1.4514858224725626
Energy: 1.7207287908975364
Energy: 1.4514858224734069
Energy: 1.7207287908979587
Energy: 1.8580708358562301
Energy: 1.6786622948399512
Energy: 1.858070835852009
Energy: 1.678662294840373
Energy: 1.8580708358562301
Energy: 1.678662294840373
Energy: 1.4163330073504867
Energy: 1.8516064617085426
Energy: 1.416333007351331
Energy: 1.8516064463115225
Energy: 1.4163330073504867
Energy: 1.8516064482058225
Energy: 1.6767612213632186
Energy: 1.4568968591080202
Energy: 1.6767612213716603
Energy: 1.4568968591080202
Energy: 1.6767612213678615
Energy: 1.4568968591084424
Energy: 1.4437126760581982
Energy: 1.9609259198742175
Energy: 1.4437126760552819
Energy: 1.9609259198712627
Energy: 1.4437126760586203
Energy: 1.960925919872951
Energy: 1.9315667940682295
Energy: 1.897358900960197
Energy: 1.9315667940682295
Energy: 1.897358900961041
Energy: 1.9315667940678074
Energy: 1.897358900961041
Energy: 1.6818757007616023
Energy: 1.7054687437048932
Energy: 1.6818757007599143
Energy: 1.705468743704049
Energy: 1.6818757007628689
Energy: 1.7054687437002884
Energy: 1.6770418870905912
Energy: 1.4519167110676012
Energy: 1.6770418870918573
Energy: 1.4519167110671791
Energy: 1.677041887095656
Energy: 1.451916711066335
Energy: 1.8337551413503124
Energy: 1.8346838759105997
Energy: 1.8337551413482018
Energy: 1.8346838759139763
Energy: 1.8337551413511564
Energy: 1.8346838759122879
Energy: 1.4517797879629029
Energy: 1.677171627266892
Energy: 1.4517797879616368
Energy: 1.6771716272576063
Energy: 1.4517797879612144
Energy: 1.677171627266048
Energy: 1.7061019897127825
Energy: 1.6777597991535165
Energy: 1.7061019897115166
Energy: 1.6777597991564708
Energy: 1.7061019897136267
Energy: 1.6777597991581594
Energy: 1.8952128439526736
Energy: 1.9290218603936258
Energy: 1.8952128439539395
Energy: 1.9290218603927816
Energy: 1.8952128439522513
Energy: 1.929021860385184
Energy: 1.962249696466517
Energy: 1.4438887215863723
Energy: 1.9622496964677831
Energy: 1.4438887215876388
Energy: 1.9622496964686276
Energy: 1.4438887215880607
Energy: 1.4534727921097856
Energy: 1.5425748483228632
Energy: 1.4534727921093633
Energy: 1.5425748483228632
Energy: 1.4534727921106296
Energy: 1.5425748483232853

minimum gb energy = 1.4161907718216207 eV
minimum distance =  2.3976120834251 Angstroms
sigma value = 51


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

Energy: 1.807092409163341
Energy: 1.8115689949348563
Energy: 1.8070924091652967
Energy: 1.8115689949329004
Energy: 1.807092409163341
Energy: 1.8115689949338785
Energy: 1.894797255404665
Energy: 1.6175218189137472
Energy: 1.8947972553997752
Energy: 1.6175218189137472
Energy: 1.894797255400753
Energy: 1.6175218189147251
Energy: 1.6237060150813771
Energy: 1.757381200591395
Energy: 1.6237060150803992
Energy: 1.7573812005943288
Energy: 1.6237060150813771
Energy: 1.7573812005923728
Energy: 1.7774778178343806
Energy: 1.4849477085326006
Energy: 1.7774778178353587
Energy: 1.4849477085326006
Energy: 1.7774778178373145
Energy: 1.4849477085326006
Energy: 1.7837373779234873
Energy: 1.757732099555302
Energy: 1.7837373779225094
Energy: 1.7577320995572137
Energy: 1.7837373779225094
Energy: 1.7577320995572137
Energy: 1.8021919516651683
Energy: 1.757658485436142
Energy: 1.8021919516661464
Energy: 1.7576584854342305
Energy: 1.8021919516651683
Energy: 1.757658485439076
Energy: 1.6367659691586613
Energy: 1.7578833870417503
Energy: 1.6367659691576832
Energy: 1.7578833870407724
Energy: 1.6367659691586613
Energy: 1.7578833870456623
Energy: 1.629222965406364
Energy: 1.7584556193056418
Energy: 1.629222965406364
Energy: 1.7584556193046639
Energy: 1.629222965406364
Energy: 1.7584556193046639
Energy: 1.9947922948024897
Energy: 1.4846679626022679
Energy: 1.9947922948044452
Energy: 1.4846679626022679
Energy: 1.9947922948034675
Energy: 1.4846679626022679
Energy: 1.520959524257143
Energy: 1.9751721570566954
Energy: 1.5209595242561649
Energy: 1.9751721570586513
Energy: 1.520959524257143
Energy: 1.9751721570586513
Energy: 1.8234061871304428
Energy: 1.4983135041397122
Energy: 1.8234061852780166
Energy: 1.4983135041397122
Energy: 1.8234061782125086
Energy: 1.4983135041397122
Energy: 1.8081677210762315
Energy: 1.812554549955002
Energy: 1.8081677210762315
Energy: 1.812554549956958
Energy: 1.8081677210772094
Energy: 1.812554549954024
Energy: 1.8931382812549225
Energy: 1.6187996222986318
Energy: 1.8931382811913995
Energy: 1.6187996222996097
Energy: 1.8931382808003954
Energy: 1.6187996222986318
Energy: 1.7359004653856849
Energy: 1.657136466425278
Energy: 1.7359004653895964
Energy: 1.6571364664242998
Energy: 1.7359004653866628
Energy: 1.657136466423322
Energy: 1.773449275733105
Energy: 1.7918669659194844
Energy: 1.773449275733105
Energy: 1.7918669659194844
Energy: 1.773449275733105
Energy: 1.7918669659194844
Energy: 1.7826075979574174
Energy: 1.757593990715481
Energy: 1.7826075979564393
Energy: 1.7575939907164588
Energy: 1.7826075979564393
Energy: 1.7575939907164588
Energy: 1.7840161006712094
Energy: 1.9136310410026098
Energy: 1.7840161006712094
Energy: 1.9136310410045654
Energy: 1.7840161006702313
Energy: 1.9136310410055435
Energy: 1.7385687128408156
Energy: 1.760641754813544
Energy: 1.7385687128398375
Energy: 1.760641754814522
Energy: 1.7385687128417935
Energy: 1.760641754814522

minimum gb energy = 1.4846679626022679 eV
minimum distance =  2.26573176929072 Angstroms
sigma value = 19


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

Energy: 1.4633164622309904
Energy: 1.4726082138020415
Energy: 1.4633164622292498
Energy: 1.4726082138026217
Energy: 1.46331646223041
Energy: 1.4726082138026217
Energy: 1.6134947754653115
Energy: 1.8045887223946524
Energy: 1.6134947754664717
Energy: 1.8045887223952324
Energy: 1.613494775468792
Energy: 1.8045887223952324
Energy: 1.3957594951496857
Energy: 1.8018792629596228
Energy: 1.3957594951508459
Energy: 1.8018792629596228
Energy: 1.3957594951496857
Energy: 1.8018792629607832
Energy: 1.5294723487957846
Energy: 1.3960162950736779
Energy: 1.5294723487963648
Energy: 1.3960162950736779
Energy: 1.5294723487957846
Energy: 1.3960162950730979
Energy: 1.4429362896911198
Energy: 1.4590117011898744
Energy: 1.4429362896911198
Energy: 1.4590117011904546
Energy: 1.4429362896928601
Energy: 1.4590117011898744
Energy: 1.4428342433507078
Energy: 1.4589567342273662
Energy: 1.4428342433501276
Energy: 1.4589567342279464
Energy: 1.4428342433507078
Energy: 1.4589567342273662
Energy: 1.5292596781543824
Energy: 1.3960326284507263
Energy: 1.5292596781532217
Energy: 1.3960326284507263
Energy: 1.5292596781538021
Energy: 1.3960326284507263
Energy: 1.3957668488037438
Energy: 1.8020898906173626
Energy: 1.3957668488037438
Energy: 1.8020898906162022
Energy: 1.3957668488043238
Energy: 1.8020898906156222
Energy: 1.6136823772863444
Energy: 1.8045917130675335
Energy: 1.6136823772904052
Energy: 1.8045917130681135
Energy: 1.613682377289245
Energy: 1.8045917130675335
Energy: 1.46331646223041
Energy: 1.4726082138026217
Energy: 1.46331646222983
Energy: 1.4726082138014613
Energy: 1.46331646222983
Energy: 1.4726082138014613
Energy: 1.6134947754670517
Energy: 1.8045887223946524
Energy: 1.6134947754676319
Energy: 1.8045887223952324
Energy: 1.613494775461831
Energy: 1.8045887223940724
Energy: 1.395759495150266
Energy: 1.8018792629625233
Energy: 1.395759495150266
Energy: 1.8018792629584626
Energy: 1.395759495150266
Energy: 1.8018792629602032
Energy: 1.5294723487957846
Energy: 1.3960162950736779
Energy: 1.5294723487952049
Energy: 1.3960162950736779
Energy: 1.5294723487952049
Energy: 1.3960162950736779
Energy: 1.4429362896916997
Energy: 1.4590117011898744
Energy: 1.4429362896911198
Energy: 1.4590117011892945
Energy: 1.4429362896922802
Energy: 1.4590117011892945
Energy: 1.4428342433501276
Energy: 1.4589567342273662
Energy: 1.4428342433501276
Energy: 1.4589567342279464
Energy: 1.4428342433501276
Energy: 1.4589567342279464
Energy: 1.5292596781543824
Energy: 1.3960326284507263
Energy: 1.5292596781543824
Energy: 1.3960326284507263
Energy: 1.5292596781549623
Energy: 1.3960326284507263
Energy: 1.3957668488043238
Energy: 1.8020898906185225
Energy: 1.3957668488037438
Energy: 1.8020898906179426
Energy: 1.3957668488043238
Energy: 1.802089890614462
Energy: 1.613682377289245
Energy: 1.8045917130675335
Energy: 1.6136823772909852
Energy: 1.8045917130675335
Energy: 1.613682377289245
Energy: 1.8045917130681135
Energy: 1.4633164622309904
Energy: 1.4726082138020415
Energy: 1.46331646223041
Energy: 1.4726082138026217
Energy: 1.4633164622292498
Energy: 1.4726082138014613
Energy: 1.6134947754658915
Energy: 1.804588722393492
Energy: 1.613494775464151
Energy: 1.8045887223946524
Energy: 1.6134947754635713
Energy: 1.8045887223946524
Energy: 1.395759495150266
Energy: 1.8018792629619436
Energy: 1.395759495150266
Energy: 1.8018792629596228
Energy: 1.395759495150266
Energy: 1.8018792629607832
Energy: 1.5294723487957846
Energy: 1.3960162950730979
Energy: 1.5294723487963648
Energy: 1.3960162950730979
Energy: 1.5294723487963648
Energy: 1.3960162950736779
Energy: 1.4429362896911198
Energy: 1.4590117011898744
Energy: 1.4429362896911198
Energy: 1.4590117011904546
Energy: 1.4429362896905398
Energy: 1.4590117011898744
Energy: 1.4428342433501276
Energy: 1.4589567342279464
Energy: 1.4428342433507078
Energy: 1.4589567342279464
Energy: 1.4428342433507078
Energy: 1.4589567342267862
Energy: 1.5292596781538021
Energy: 1.3960326284507263
Energy: 1.5292596781532217
Energy: 1.3960326284507263
Energy: 1.5292596781543824
Energy: 1.3960326284513065
Energy: 1.3957668488043238
Energy: 1.802089890615042
Energy: 1.3957668488043238
Energy: 1.8020898906173626
Energy: 1.3957668488043238
Energy: 1.8020898906138818
Energy: 1.6136823772915652
Energy: 1.804591713066953
Energy: 1.613682377289825
Energy: 1.8045917130681135
Energy: 1.613682377289825
Energy: 1.8045917130681135
Energy: 1.4633164622309904
Energy: 1.4726082138014613
Energy: 1.46331646222983
Energy: 1.4726082138020415
Energy: 1.4633164622292498
Energy: 1.4726082138020415
Energy: 1.6134947754653115
Energy: 1.8045887223963926
Energy: 1.6134947754664717
Energy: 1.8045887223952324
Energy: 1.6134947754670517
Energy: 1.8045887223952324
Energy: 1.3957594951496857
Energy: 1.8018792629607832
Energy: 1.395759495150266
Energy: 1.8018792629607832
Energy: 1.395759495150266
Energy: 1.8018792629613631

minimum gb energy = 1.3957594951496857 eV
minimum distance =  2.29019270846389 Angstroms
sigma value = 27


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

Energy: 1.410007970429728
Energy: 1.3716158649070753
Energy: 1.410007970429728
Energy: 1.3716158649070753
Energy: 1.410007970431149
Energy: 1.3716158649070753
Energy: 1.572399931073264
Energy: 1.4140131141658778
Energy: 1.5723999290024746
Energy: 1.41401311416872
Energy: 1.572394957372185
Energy: 1.414013114167299
Energy: 1.4170204887750957
Energy: 1.5612765826285302
Energy: 1.4170204888148816
Energy: 1.5612765826271093
Energy: 1.4170204886316455
Energy: 1.5612765826285302
Energy: 1.7083112187687228
Energy: 1.3336928831866384
Energy: 1.7083112184818228
Energy: 1.3336928831866384
Energy: 1.7083112122722324
Energy: 1.3336928831866384
Energy: 1.708291441596885
Energy: 1.333641955753324
Energy: 1.708291441595464
Energy: 1.333641955753324
Energy: 1.708291441595464
Energy: 1.333641955753324
Energy: 1.6460626613584513
Energy: 1.7111298504191517
Energy: 1.646062661359872
Energy: 1.7111298504205725
Energy: 1.646062661359872
Energy: 1.7111298504205725
Energy: 1.3343804993480843
Energy: 1.417698511214137
Energy: 1.334380499346663
Energy: 1.417698511214137
Energy: 1.334380499346663
Energy: 1.4176985112127158
Energy: 1.4001549740388393
Energy: 1.3702720644454245
Energy: 1.4001549740374184
Energy: 1.3702720644454245
Energy: 1.4001549740374184
Energy: 1.3702720644454245
Energy: 1.5715613695332808
Energy: 1.4163040136606762
Energy: 1.5715613688287868
Energy: 1.416304014045556
Energy: 1.5715613666827202
Energy: 1.4163040634722281
Energy: 1.5158429324749862
Energy: 1.6498707365468386
Energy: 1.5158429324778284
Energy: 1.6498707365468386
Energy: 1.5158429324778284
Energy: 1.6498707365468386
Energy: 1.4794900426238176
Energy: 1.336272249489062
Energy: 1.4794900426238176
Energy: 1.336272249489062
Energy: 1.4794900426238176
Energy: 1.336272249489062
Energy: 1.705670631201114
Energy: 1.5717099146075828
Energy: 1.7056706312834957
Energy: 1.5717099146075828
Energy: 1.705670630992333
Energy: 1.5717099146090037

minimum gb energy = 1.333641955753324 eV
minimum distance =  2.26287593396931 Angstroms
sigma value = 9


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

Energy: 1.4481656533321214
Energy: 1.269933749332152
Energy: 1.4481656533305243
Energy: 1.2699337493317528
Energy: 1.4481656533313227
Energy: 1.269933749332152
Energy: 1.3300440582161985
Energy: 1.2504782818801539
Energy: 1.3300440582154
Energy: 1.2504782818801539
Energy: 1.3300440582146016
Energy: 1.2504782818801539
Energy: 1.2167312234588117
Energy: 1.3633894914818874
Energy: 1.2167312234600096
Energy: 1.3633894914822864
Energy: 1.2167312234596102
Energy: 1.3633894914822864
Energy: 1.2578539258385062
Energy: 1.2092310271639102
Energy: 1.2578539258409016
Energy: 1.2092310271639102
Energy: 1.2578539258389054
Energy: 1.209231027163511
Energy: 1.3041452341160455
Energy: 1.2704253877298208
Energy: 1.3041452341192394
Energy: 1.2704253877306195
Energy: 1.3041452341168438
Energy: 1.2704253877294218
Energy: 1.3779553503743702
Energy: 1.3598310027411007
Energy: 1.3779553503687807
Energy: 1.35983100274669
Energy: 1.3779553503679822
Energy: 1.3598310027395035
Energy: 1.3107606129308655
Energy: 1.3603321719289512
Energy: 1.310760612930067
Energy: 1.3603321719317458
Energy: 1.3107606129288694
Energy: 1.3603321719285517
Energy: 1.1889537423207266
Energy: 1.3143822994362342
Energy: 1.1889537423219245
Energy: 1.3143822994354357
Energy: 1.1889537423223235
Energy: 1.3143822994366334
Energy: 1.3324827534832773
Energy: 1.271214796865193
Energy: 1.3324827534832773
Energy: 1.271214796865193
Energy: 1.3324827534856727
Energy: 1.2712147968655922
Energy: 1.2959171955001616
Energy: 1.4570136780006644
Energy: 1.2959171954993634
Energy: 1.4570136780010638
Energy: 1.2959171955009603
Energy: 1.4570136779950749
Energy: 1.255752162525359
Energy: 1.2177517358128216
Energy: 1.255752162525359
Energy: 1.21775173581362
Energy: 1.2557521625233625
Energy: 1.2177517358132208
Energy: 1.241254520892575
Energy: 1.375876733020235
Energy: 1.2412545208921757
Energy: 1.3758767330174402
Energy: 1.2412545208933734
Energy: 1.3758767330170774
Energy: 1.3432953180320037
Energy: 1.3338624769908864
Energy: 1.343295318035597
Energy: 1.3338624769960767
Energy: 1.3432953180351979
Energy: 1.3338624769940803
Energy: 1.4383419395468702
Energy: 1.2603144167678852
Energy: 1.4383419395448742
Energy: 1.2603144167591016
Energy: 1.4383419395412809
Energy: 1.2603144167579041
Energy: 1.2221997783350873
Energy: 1.3357940056540898
Energy: 1.2221997783330913
Energy: 1.3357940056481015
Energy: 1.2221997783310947
Energy: 1.3357940056520938
Energy: 1.2278768718617974
Energy: 1.312745744939831
Energy: 1.2278768718669875
Energy: 1.312745744938234
Energy: 1.2278768718637934
Energy: 1.3127457449413915
Energy: 1.2210556554957779
Energy: 1.2104246024549434
Energy: 1.2212723678487871
Energy: 1.210424602452548
Energy: 1.2218407787827172
Energy: 1.2104246024545442
Energy: 1.2421387222313083
Energy: 1.2852501943558288
Energy: 1.2421387222341032
Energy: 1.2852501943566272
Energy: 1.242138722230909
Energy: 1.2852501943562278
Energy: 1.1824914379707328
Energy: 1.4997720080808927
Energy: 1.1824914379735276
Energy: 1.4997689241508358
Energy: 1.1824914379735276
Energy: 1.4997703204836883
Energy: 1.4558903942439008
Energy: 1.2056684455976048
Energy: 1.455890394244699
Energy: 1.2056684455972053
Energy: 1.455890394244699
Energy: 1.2056684455964068
Energy: 1.182476529946962
Energy: 1.1313378957671025
Energy: 1.1824765299453648
Energy: 1.1514132113825604
Energy: 1.1824765299449655
Energy: 1.1282195065123644
Energy: 1.2420999723741137
Energy: 1.2853017806142881
Energy: 1.242099972373315
Energy: 1.285301780613889
Energy: 1.242099972373315
Energy: 1.2853017806142881
Energy: 1.2210104097529246
Energy: 1.2102860705784075
Energy: 1.221134836723474
Energy: 1.2102860705816014
Energy: 1.2212040226788212
Energy: 1.2102860705827991
Energy: 1.2278747421696106
Energy: 1.4325313884069975
Energy: 1.2278747421668157
Energy: 1.4325313884038036
Energy: 1.2278747421708085
Energy: 1.4325313884022064
Energy: 1.2225446456789164
Energy: 1.334940752915721
Energy: 1.222544645678118
Energy: 1.3349407529169186
Energy: 1.2225446456757223
Energy: 1.3349407529193142
Energy: 1.4388107867559123
Energy: 1.3463652536000874
Energy: 1.4388107867543152
Energy: 1.3463652535992887
Energy: 1.43881078675711
Energy: 1.3463652535996882
Energy: 1.3434526791862258
Energy: 1.3339426696601262
Energy: 1.3434526791770431
Energy: 1.3339426696577672
Energy: 1.3434526791790393
Energy: 1.3339426696601262
Energy: 1.241261032158494
Energy: 1.348438627694545
Energy: 1.2412610321608895
Energy: 1.3484386276965417
Energy: 1.241261032158494
Energy: 1.3484386276993363
Energy: 1.2557342333159063
Energy: 1.2173308441810684
Energy: 1.2557342333147086
Energy: 1.2173308441794715
Energy: 1.2557342333159063
Energy: 1.217330844179072
Energy: 1.2956563359463893
Energy: 1.2843795251587329
Energy: 1.2956563359487847
Energy: 1.2843795251515466
Energy: 1.29565633594599
Energy: 1.284379525159931
Energy: 1.331941387158297
Energy: 1.27109989078106
Energy: 1.331941387153506
Energy: 1.2710998907806608
Energy: 1.3319413871539054
Energy: 1.2710998907806608
Energy: 1.1890135837780524
Energy: 1.3144563640092668
Energy: 1.1890135837764555
Energy: 1.3144563640120615
Energy: 1.1890135837776534
Energy: 1.3144563640108637
Energy: 1.31063345756183
Energy: 1.3609010122901357
Energy: 1.3106334575586358
Energy: 1.3609010122901357
Energy: 1.3106334575566394
Energy: 1.3609010122961245
Energy: 1.3778232958039798
Energy: 1.3461931457482856
Energy: 1.3778232957979912
Energy: 1.3461931457502816
Energy: 1.3778232958015844
Energy: 1.3461931457514793
Energy: 1.304386351673629
Energy: 1.2701819838456498
Energy: 1.3043863516752259
Energy: 1.2701819838464483
Energy: 1.3043863516744274
Energy: 1.270181983847646
Energy: 1.257824385547296
Energy: 1.2091867705173729
Energy: 1.2578243855492923
Energy: 1.2091867705169739
Energy: 1.2578243855476952
Energy: 1.2091867705173729
Energy: 1.2167105691009754
Energy: 1.3632034326484355
Energy: 1.2167105691041693
Energy: 1.3632034326496332
Energy: 1.2167105691017739
Energy: 1.3632034326484355
Energy: 1.3300514234173375
Energy: 1.2637535278314616
Energy: 1.330051423418136
Energy: 1.263753527831062
Energy: 1.330051423418136
Energy: 1.2637535278314616
Energy: 1.4481656533337182
Energy: 1.269933749334148
Energy: 1.448165653333319
Energy: 1.269933749334148
Energy: 1.4481656533337182
Energy: 1.2699337493349467
Energy: 1.3300440582225865
Energy: 1.2504782818813516
Energy: 1.3300440582237845
Energy: 1.2504782818809523
Energy: 1.3300440582213888
Energy: 1.2504782818809523
Energy: 1.2167312234628043
Energy: 1.363389491481089
Energy: 1.2167312234632035
Energy: 1.3633894914818874
Energy: 1.2167312234624048
Energy: 1.363389491479891
Energy: 1.2578539258377075
Energy: 1.209231027163511
Energy: 1.2578539258389054
Energy: 1.2092310271639102
Energy: 1.2578539258377075
Energy: 1.2092310271639102
Energy: 1.304145234115646
Energy: 1.2704253877298208
Energy: 1.3041452341164448
Energy: 1.2704253877282239
Energy: 1.3041452341148476
Energy: 1.2704253877286231

minimum gb energy = 1.1282195065123644 eV
minimum distance =  2.37073091699747 Angstroms
sigma value = 57


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

Energy: 1.0172901792766054
Energy: 0.9542355200456069
Energy: 0.669892077929782
Energy: 0.9542355200456069
Energy: 1.0172901792766054
Energy: 0.9542355200428805
Energy: 1.0672746880538946
Energy: 0.9416034662950293
Energy: 1.0672746880529855
Energy: 0.9416034662950293
Energy: 1.0672746880538946
Energy: 0.9416034662968469
Energy: 1.0008360942176249
Energy: 1.1872917963661922
Energy: 1.0008360942158072
Energy: 1.1872917963671008
Energy: 1.0008360942176249
Energy: 1.1872917963652834
Energy: 0.9541007829738218
Energy: 0.6692401333644573
Energy: 0.9541007829747307
Energy: 0.6692401333644573
Energy: 0.9541007829738218
Energy: 0.6692401333653661
Energy: 0.7846854746760962
Energy: 1.072366902851316
Energy: 0.784685474677005
Energy: 1.072366902851316
Energy: 0.7846854746760962
Energy: 1.072366902851316
Energy: 0.6694546602278042
Energy: 1.000956380217981
Energy: 0.6694546602287131
Energy: 1.000956380217981
Energy: 0.6694546602278042
Energy: 1.0009563802170725
Energy: 0.6694112535287484
Energy: 0.7252538501163677
Energy: 0.6694112535296572
Energy: 0.7252538501163677
Energy: 0.6694112535287484
Energy: 0.7252538501136412
Energy: 1.0679291591621392
Energy: 0.7871333529852121
Energy: 1.0679291591639568
Energy: 0.7871333529852121
Energy: 1.0679291591621392
Energy: 0.7871333529870299
Energy: 0.9571688114418548
Energy: 0.669236776472222
Energy: 0.9571688114427637
Energy: 0.669236776472222
Energy: 0.9571688114418548
Energy: 0.6692367764694954
Energy: 0.723363832418243
Energy: 1.1318918725814404
Energy: 0.7233638324200606
Energy: 1.131891872583258
Energy: 0.7233638324173342
Energy: 1.131891872583258
Energy: 0.7814262051527623
Energy: 0.9417694930545786
Energy: 0.7814262051527623
Energy: 0.9417694930545786
Energy: 0.7814262051527623
Energy: 0.9417694930536696
Energy: 1.0172901792766054
Energy: 0.9542355200465157
Energy: 0.6698920779288732
Energy: 0.9542355200465157
Energy: 1.0172901792766054
Energy: 0.9542355200446981
Energy: 1.06727468805753
Energy: 0.9416034662977558
Energy: 1.0672746880566208
Energy: 0.9416034662968469
Energy: 1.06727468805753
Energy: 0.9416034662977558
Energy: 1.000836094216716
Energy: 1.1872917963671008
Energy: 1.0008360942158072
Energy: 1.1872917963652834
Energy: 1.000836094216716
Energy: 1.1872917963680099
Energy: 0.9541007829720042
Energy: 0.6692401333662751
Energy: 0.9541007829747307
Energy: 0.6692401333662751
Energy: 0.9541007829720042
Energy: 0.6692401333671839
Energy: 0.7846854746760962
Energy: 1.0723669028522247
Energy: 0.7846854746760962
Energy: 1.0723669028522247
Energy: 0.784685474677005
Energy: 1.072366902851316
Energy: 0.669454660229622
Energy: 1.000956380214346
Energy: 0.6694546602287131
Energy: 1.000956380214346
Energy: 0.669454660229622
Energy: 1.0009563802170725
Energy: 0.6694112535296572
Energy: 0.7252538501172765
Energy: 0.6694112535287484
Energy: 0.7252538501172765
Energy: 0.6694112535296572
Energy: 0.7252538501136412
Energy: 1.0679291591603217
Energy: 0.7871333529852121
Energy: 1.0679291591621392
Energy: 0.7871333529852121
Energy: 1.0679291591612305
Energy: 0.7871333529870299

minimum gb energy = 0.6692367764694954 eV
minimum distance =  2.44419501068256 Angstroms
sigma value = 11


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

Energy: 1.0726268919283728
Energy: 1.014073822242215
Energy: 1.07262689193037
Energy: 1.0140738222448777
Energy: 1.0726268919290387
Energy: 1.014073822244212
Energy: 1.192338896810578
Energy: 1.1573633911775212
Energy: 1.1923388968172355
Energy: 1.1573633911768555
Energy: 1.1923388968092465
Energy: 1.1573633911775212
Energy: 1.3995257039787912
Energy: 1.5112662040790548
Energy: 1.3995257039781255
Energy: 1.5112662040790548
Energy: 1.3995257039794569
Energy: 1.5112662040810518
Energy: 1.4453895814109559
Energy: 1.0111013240584843
Energy: 1.4453895814109559
Energy: 1.0111013240584843
Energy: 1.4453895814096245
Energy: 1.0111013240584843
Energy: 1.3572604094378993
Energy: 0.9800107621410443
Energy: 1.3572604094378993
Energy: 0.9800107621410443
Energy: 1.3572604094378993
Energy: 0.9800107621410443
Energy: 1.0352199323226527
Energy: 0.9953182091237327
Energy: 1.0352199323206552
Energy: 0.9953182091230671
Energy: 1.0352199323213214
Energy: 0.9953182091243985
Energy: 0.963300653816706
Energy: 1.0477352676863538
Energy: 0.9633006538153747
Energy: 1.047735267681028
Energy: 0.9633006538147088
Energy: 1.047735267681028
Energy: 1.0228236849554362
Energy: 0.9394968479210422
Energy: 1.022823684951442
Energy: 0.9394968479203762
Energy: 1.0228236849534391
Energy: 0.9394968479210422
Energy: 1.0329682121378523
Energy: 0.9457733098092042
Energy: 1.0329682121391837
Energy: 0.9457733098065413
Energy: 1.0329682121345234
Energy: 0.9457733098065413
Energy: 0.9554079441377433
Energy: 1.4367591113792917
Energy: 0.9554079441377433
Energy: 1.4367591113799576
Energy: 0.9554079441370776
Energy: 1.4367591113806233
Energy: 1.0648956831538061
Energy: 1.3468311866832643
Energy: 1.064895683169058
Energy: 1.3468311866852616
Energy: 1.0648956831677263
Energy: 1.3468311866852616
Energy: 1.179616944855013
Energy: 0.9757816334230901
Energy: 1.1796169448530158
Energy: 0.975781633423756
Energy: 1.1796169448543472
Energy: 0.9757816334230901
Energy: 1.3980195212433508
Energy: 1.0186564790488
Energy: 1.3980195212433508
Energy: 1.0186564790488
Energy: 1.3980195212433508
Energy: 1.0186564790481343
Energy: 1.4021907915513694
Energy: 1.4786412506715583
Energy: 1.402190791552035
Energy: 1.4786412506722242
Energy: 1.4021907915500378
Energy: 1.4786412506708926
Energy: 1.207721337043491
Energy: 0.9748178713903101
Energy: 1.2077213370601343
Energy: 0.9748178713903101
Energy: 1.207721337043491
Energy: 0.9748178713863157
Energy: 1.0322189858168114
Energy: 1.19865357243643
Energy: 1.0322189858188084
Energy: 1.198653572447082
Energy: 1.0322189858188084
Energy: 1.1986535724404246
Energy: 1.1258156380828346
Energy: 1.1605998986680035
Energy: 1.1258156380841662
Energy: 1.1605998986693349
Energy: 1.1258156380835003
Energy: 1.1605998986693349
Energy: 1.4390759523185332
Energy: 1.0944021186401165
Energy: 1.4390759523231935
Energy: 1.0944021186554285
Energy: 1.4390759523185332
Energy: 1.0944021186534314
Energy: 1.2537593476462918
Energy: 1.0052242755903547
Energy: 1.2537593476456261
Energy: 1.0052242755910203
Energy: 1.2537593476442948
Energy: 1.0052242755910203
Energy: 1.1772253316765322
Energy: 1.0165040230319096
Energy: 1.1772253316765322
Energy: 1.0165040230312437
Energy: 1.1772253316778636
Energy: 1.0165040230325753
Energy: 0.958855459419977
Energy: 0.9994590399703466
Energy: 0.9588554594206427
Energy: 0.9994590399703466
Energy: 0.9588554594193112
Energy: 0.9994590399683495
Energy: 1.008513390546
Energy: 1.0472531389041644
Energy: 1.0085133905440027
Energy: 1.0472531389041644
Energy: 1.0085133905499943
Energy: 1.0472531389034985
Energy: 1.188242271488368
Energy: 1.0062932133600069
Energy: 1.1882422714877021
Energy: 1.0062932133573437
Energy: 1.1882422714877021
Energy: 1.0062932133586755
Energy: 1.031266477746718
Energy: 1.170566852124559
Energy: 1.0312664777480494
Energy: 1.170566852124559
Energy: 1.0312664777480494
Energy: 1.170566852124559
Energy: 0.9588373009626943
Energy: 1.43707933479067
Energy: 0.958837300960697
Energy: 1.4370793342876134
Energy: 0.9588373009613627
Energy: 1.4370793342796244
Energy: 1.8995833369673578
Energy: 1.324707250208592
Energy: 1.8995833369666921
Energy: 1.3247072502059292
Energy: 1.8995833369660262
Energy: 1.3247072502079262

minimum gb energy = 0.9394968479203762 eV
minimum distance =  2.32244002970027 Angstroms
sigma value = 41


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

Energy: 1.204769092182838
Energy: 1.0929650049568451
Energy: 1.2047690921833625
Energy: 1.0929650049568451
Energy: 1.2047690921823133
Energy: 1.0929650049568451
Energy: 1.1384234744132178
Energy: 1.0697787142814987
Energy: 1.138423474411644
Energy: 1.0697787142793997
Energy: 1.1384234744121686
Energy: 1.0697787142820234
Energy: 1.3294672002923122
Energy: 1.2237312345108418
Energy: 1.3294672002917873
Energy: 1.2237312345145148
Energy: 1.3294672002912626
Energy: 1.2237312345218372
Energy: 1.1236055501814466
Energy: 1.0568699603667924
Energy: 1.1236055501793478
Energy: 1.0568699603673173
Energy: 1.1236055501793478
Energy: 1.0568699603673173
Energy: 1.0532514540253894
Energy: 1.1334707194971871
Energy: 1.0532514540269635
Energy: 1.1334707194971871
Energy: 1.0532514540259144
Energy: 1.1334707194971871
Energy: 1.1182592455260023
Energy: 1.086237588231018
Energy: 1.1182592455234026
Energy: 1.0862375882336417
Energy: 1.1182592455234026
Energy: 1.0862375882320674
Energy: 1.0548529654593963
Energy: 1.601022568274565
Energy: 1.0548529654593963
Energy: 1.601022568276139
Energy: 1.054852965459921
Energy: 1.6010225682756145
Energy: 1.0186701624200238
Energy: 1.0568645155590626
Energy: 1.0186701624194994
Energy: 1.0568645155585377
Energy: 1.0186701624189745
Energy: 1.0568645155585377
Energy: 1.0693136890249617
Energy: 1.1272152821239865
Energy: 1.0693136890260115
Energy: 1.1272152821229369
Energy: 1.0693136890239126
Energy: 1.1272152821234616
Energy: 1.1174921171045065
Energy: 1.1383520626709924
Energy: 1.1174921171055556
Energy: 1.1383520626694181
Energy: 1.117492117105031
Energy: 1.1383520626673191
Energy: 1.1226198279552573
Energy: 1.1491802125851163
Energy: 1.1226198279547326
Energy: 1.1491802125851163
Energy: 1.1226198279547326
Energy: 1.1491802125851163
Energy: 1.0105839484925119
Energy: 1.0568250716201266
Energy: 1.010583948491987
Energy: 1.0568250716075334
Energy: 1.0105839484925119
Energy: 1.056825071532022
Energy: 1.0169547187823764
Energy: 1.0564062561185856
Energy: 1.0169547187829011
Energy: 1.05640625612016
Energy: 1.0169547187834256
Energy: 1.056406256118061
Energy: 1.0003644080456784
Energy: 1.140987590698739
Energy: 1.000364408046203
Energy: 1.1409875906982143
Energy: 1.0003644080456784
Energy: 1.1409875906992637
Energy: 1.1223596770829227
Energy: 1.0860780936219838
Energy: 1.1223596770813489
Energy: 1.0860780936209344
Energy: 1.122359677082398
Energy: 1.0860780936219838
Energy: 0.9901067920668555
Energy: 1.1409245597670765
Energy: 0.9901067920663308
Energy: 1.1409245597670765
Energy: 0.9901067920642558
Energy: 1.1409245597686508
Energy: 1.0283730250963707
Energy: 1.0564936489236014
Energy: 1.0283730250932228
Energy: 1.0564936489236014
Energy: 1.0283730250937475
Energy: 1.0564936489236014
Energy: 1.0552372353934956
Energy: 1.225356583678447
Energy: 1.055237235396119
Energy: 1.2253565836763485
Energy: 1.0552372353950696
Energy: 1.2253565836779226
Energy: 1.145191290607555
Energy: 1.0698085457496975
Energy: 1.1451912906096537
Energy: 1.069808545744975
Energy: 1.1451912906065056
Energy: 1.0698085457439257
Energy: 1.1189997655583017
Energy: 1.0579339158316863
Energy: 1.1189997655588266
Energy: 1.0579339158327359
Energy: 1.1189997655588266
Energy: 1.057933915821192
Energy: 1.0323246712161254
Energy: 1.0706098845964829
Energy: 1.0323246712156007
Energy: 1.070609884587038
Energy: 1.0323246712156007
Energy: 1.0706098846069771
Energy: 1.077244874675565
Energy: 1.2149127763019474
Energy: 1.07724487467504
Energy: 1.21491277630822
Energy: 1.077244874675565
Energy: 1.214912776300898
Energy: 1.1241401136523046
Energy: 1.0633256594874823
Energy: 1.124140113657528
Energy: 1.0633256594874823
Energy: 1.1241401136502058
Energy: 1.0633256594869573
Energy: 0.9899472432541194
Energy: 1.1387515091821756
Energy: 0.9899472432546441
Energy: 1.1387515091811262
Energy: 0.9899472432546441
Energy: 1.1387515091811262
Energy: 0.9900700589416022
Energy: 1.0866655456594316
Energy: 0.9900700589410776
Energy: 1.0866655456678032
Energy: 0.9900700589405529
Energy: 1.086665545668328
Energy: 1.0500720696116401
Energy: 1.1348592836993578
Energy: 1.0500720696095411
Energy: 1.1348592836993578
Energy: 1.0500720696111154
Energy: 1.1348592837009321
Energy: 1.0184542271768007
Energy: 1.0635762476431927
Energy: 1.0184542271773254
Energy: 1.0635762476431927
Energy: 1.0184542271794241
Energy: 1.0635762476431927
Energy: 1.0676244306175966
Energy: 1.1339049380296946
Energy: 1.0676244306175966
Energy: 1.1339049380265462
Energy: 1.0676244306165472
Energy: 1.1339049380291697
Energy: 1.1176243342847365
Energy: 1.0724866271319018
Energy: 1.1176243342847365
Energy: 1.0724866271324267
Energy: 1.1176243342857857
Energy: 1.072486627129803
Energy: 1.2109089025604458
Energy: 1.0800280261637147
Energy: 1.2109089025599211
Energy: 1.0800280261652893
Energy: 1.2109089025609705
Energy: 1.0800280261658137
Energy: 1.011291649508096
Energy: 1.0570259678883966
Energy: 1.0112916495075712
Energy: 1.0570259678626859
Energy: 1.011291649508096
Energy: 1.0570259678904956
Energy: 1.0727296981374697
Energy: 1.1139493394702435
Energy: 1.072729698136945
Energy: 1.1139493394697189
Energy: 1.0727296981374697
Energy: 1.1139493394707682
Energy: 0.9898743601559695
Energy: 1.0760318210539561
Energy: 0.9898743601564943
Energy: 1.0760318210571043
Energy: 0.9898743601559695
Energy: 1.0760318210581536

minimum gb energy = 0.9898743601559695 eV
minimum distance =  2.38795945360032 Angstroms
sigma value = 33


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

Energy: 1.2291958642912146
Energy: 1.1170259300268455
Energy: 1.2291958642919514
Energy: 1.1170259300265108
Energy: 1.2291958642901435
Energy: 1.1170259300290553
Energy: 1.262101898272832
Energy: 1.0247312603338186
Energy: 1.2621018982768493
Energy: 1.0247312603316088
Energy: 1.2621018982930523
Energy: 1.0247312603304706
Energy: 1.176698271493806
Energy: 1.2625541987455182
Energy: 1.1766982714908598
Energy: 1.2625541987451834
Energy: 1.1766982715022423
Energy: 1.262554198744447
Energy: 1.1214176067370547
Energy: 1.0934567332558445
Energy: 1.121417606734845
Energy: 1.0934567332558445
Energy: 1.1214176067359163
Energy: 1.0934567332561793
Energy: 1.130675434447375
Energy: 1.1294723257625117
Energy: 1.1306754344492496
Energy: 1.1294723257610386
Energy: 1.1306754344492496
Energy: 1.129472325758829
Energy: 1.1576749378680797
Energy: 1.1173768306510632
Energy: 1.1576749378552245
Energy: 1.1173768306510632
Energy: 1.157674937869218
Energy: 1.1173768306507283
Energy: 1.100339792397135
Energy: 1.2071305138672084
Energy: 1.1003397923975369
Energy: 1.2071305138627892
Energy: 1.1003397923975369
Energy: 1.2071305138686812
Energy: 1.1607788448316612
Energy: 1.1567302659389977
Energy: 1.1607788448309246
Energy: 1.156730265940069
Energy: 1.1607788448246978
Energy: 1.1567302659382612
Energy: 1.2691968607703108
Energy: 1.1549786126033357
Energy: 1.26919686076703
Energy: 1.1549786126033357
Energy: 1.2691968607739932
Energy: 1.1549786126037374
Energy: 1.2519961491352634
Energy: 1.0541977580761832
Energy: 1.2519961491382094
Energy: 1.0541977580776563
Energy: 1.2519961491345268
Energy: 1.0541977580769197
Energy: 1.1645138094139573
Energy: 1.159068022416766
Energy: 1.164513809412886
Energy: 1.1590680224189756
Energy: 1.1645138094136225
Energy: 1.1590680224189756
Energy: 1.1221628633721872
Energy: 1.0941672968649427
Energy: 1.1221628633920726
Energy: 1.0941672968664158
Energy: 1.1221628633979646
Energy: 1.0941672968656795
Energy: 1.1548759828911186
Energy: 1.2709126792917205
Energy: 1.1548759828918551
Energy: 1.2709126792884398
Energy: 1.1548759828911186
Energy: 1.2709126792799366
Energy: 1.157149582808523
Energy: 1.1603882576938271
Energy: 1.1571495828077865
Energy: 1.1603882576853908
Energy: 1.1571495828059117
Energy: 1.1603882576890732
Energy: 1.174959143634187
Energy: 1.0947408023961789
Energy: 1.1749591436352584
Energy: 1.0947408023954424
Energy: 1.1749591436349238
Energy: 1.0947408023957772
Energy: 1.0933804140716723
Energy: 1.2459494920836884
Energy: 1.093380414076493
Energy: 1.2459494920777965
Energy: 1.0933804140783006
Energy: 1.2459494920826173
Energy: 1.1484981637660001
Energy: 1.066892749602338
Energy: 1.1484981636934883
Energy: 1.0668927496093012
Energy: 1.1484981636923501
Energy: 1.0668927496093012
Energy: 1.0847879937328857
Energy: 1.1239509401115617
Energy: 1.0847879937332205
Energy: 1.1239509401115617
Energy: 1.0847879937336222
Energy: 1.1239509401119636
Energy: 1.2682984922737353
Energy: 1.1192854041611697
Energy: 1.2682984922729985
Energy: 1.119285404156014
Energy: 1.2682984922726637
Energy: 1.119285404157487
Energy: 1.0648980637016714
Energy: 1.1160879736100267
Energy: 1.064898063692432
Energy: 1.1160879736118345
Energy: 1.06489806370127
Energy: 1.1160879736089555
Energy: 1.069367568550396
Energy: 1.1692214843945103
Energy: 1.0693675685526054
Energy: 1.1692214844004023
Energy: 1.0693675685496595
Energy: 1.169221484400804
Energy: 1.0493558883660012
Energy: 1.2193366160084838
Energy: 1.049355888365265
Energy: 1.2193366160077475
Energy: 1.0493558883682108
Energy: 1.2193366160048014
Energy: 1.1747499668928638
Energy: 1.0333651053390787
Energy: 1.1747499668940022
Energy: 1.0333651053383421
Energy: 1.1747499668921275
Energy: 1.0333651053376054
Energy: 1.0660795471384286
Energy: 1.1692387958337218
Energy: 1.0660795471373572
Energy: 1.1692387958311774
Energy: 1.0660795471391649
Energy: 1.1692387958385424
Energy: 1.1419563409163664
Energy: 1.0675968233119963
Energy: 1.1419563409185758
Energy: 1.0675968233116615
Energy: 1.141956340917103
Energy: 1.067596823312398
Energy: 1.1088478415014038
Energy: 1.157058492071846
Energy: 1.1088478415006673
Energy: 1.1570584920747922
Energy: 1.108847841501069
Energy: 1.1570584920674272
Energy: 1.219409258702099
Energy: 1.1076033001830625
Energy: 1.2194092587043086
Energy: 1.1076033001830625
Energy: 1.2194092587016974
Energy: 1.1076033001830625
Energy: 1.1694971486769472
Energy: 1.0678792579387602
Energy: 1.1694971486765455
Energy: 1.0678792579402332
Energy: 1.1694971486784203
Energy: 1.067879257934676
Energy: 1.117228292996101
Energy: 1.1669104740192418
Energy: 1.1172282929931552
Energy: 1.1669104740181706
Energy: 1.1172282929938915
Energy: 1.166910474018907
Energy: 1.0763932584954332
Energy: 1.252184410209394
Energy: 1.0763932584946967
Energy: 1.2521844102126747
Energy: 1.0763932584954332
Energy: 1.2521844102145494
Energy: 1.1195438345492266
Energy: 1.0769747537680547
Energy: 1.1195438345488917
Energy: 1.0769747537680547
Energy: 1.1195438345503648
Energy: 1.076974753768791
Energy: 1.0656660490849625
Energy: 1.1867475181647162
Energy: 1.065666049068023
Energy: 1.1867475181658547
Energy: 1.0656660490724421
Energy: 1.1867475181639795
Energy: 1.0636622878802844
Energy: 1.09500635215372
Energy: 1.0636622878784099
Energy: 1.0950063521551932
Energy: 1.0636622878739908
Energy: 1.0950063521559295
Energy: 1.1713576633851652
Energy: 1.1841110705849769
Energy: 1.1713576633851652
Energy: 1.1841110705842404
Energy: 1.1713576633862366
Energy: 1.184111070584642
Energy: 1.1710629903523433
Energy: 1.1841677496239738
Energy: 1.1710629903401577
Energy: 1.1841677496243754
Energy: 1.171062990349732
Energy: 1.1841677496236387
Energy: 1.0636597807571793
Energy: 1.095050094381619
Energy: 1.0636597807601251
Energy: 1.095050094380146
Energy: 1.0636597807601251
Energy: 1.0950500943812174
Energy: 1.0658660855746975
Energy: 1.1867923781505987
Energy: 1.0658660855783801
Energy: 1.1867923781465817
Energy: 1.0658660855732245
Energy: 1.186792378145845
Energy: 1.1196182977907938
Energy: 1.0769571400059796
Energy: 1.1196182977900573
Energy: 1.0769571400059796
Energy: 1.1196182977911955
Energy: 1.0769571400059796
Energy: 1.0764164492924617
Energy: 1.2526336847164699
Energy: 1.0764164492921269
Energy: 1.2526336849046125
Energy: 1.0764164492917254
Energy: 1.2526336847360207
Energy: 1.1169814248575658
Energy: 1.1664017764616041
Energy: 1.1169814248560928
Energy: 1.1664017764616041
Energy: 1.1169814248575658
Energy: 1.1664017764597963
Energy: 1.168973793579171
Energy: 1.0679464591023728
Energy: 1.1689737935784346
Energy: 1.0679464591056536
Energy: 1.168973793579171
Energy: 1.0679464591038457
Energy: 1.2192188099154977
Energy: 1.1076267165815323
Energy: 1.2192188099173056
Energy: 1.107626716580394
Energy: 1.2192188099158994
Energy: 1.107626716580394
Energy: 1.108938757446
Energy: 1.1570554432542695
Energy: 1.1089387574452634
Energy: 1.1570554432575502
Energy: 1.1089387574452634
Energy: 1.157055443255006
Energy: 1.1419224663992742
Energy: 1.067687511469148
Energy: 1.1419224664088488
Energy: 1.0676875114672735
Energy: 1.1419224664125316
Energy: 1.0676875114687465
Energy: 1.0662633934652703
Energy: 1.169762591661463
Energy: 1.0662633934648686
Energy: 1.1697625916617977
Energy: 1.0662633934663415
Energy: 1.1697625916603247
Energy: 1.1746794582881204
Energy: 1.0333283877942296
Energy: 1.174679458286982
Energy: 1.0333283877942296
Energy: 1.1746794582847726
Energy: 1.0333283877942296
Energy: 1.0494983384188348
Energy: 1.2186271049948683
Energy: 1.0494983384188348
Energy: 1.2186271049956048
Energy: 1.0494983384206424
Energy: 1.2186271049956048

minimum gb energy = 1.0247312603304706 eV
minimum distance =  2.38653781487358 Angstroms
sigma value = 67


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

Energy: 1.3341131171461027
Energy: 1.1812995744440618
Energy: 1.3341131171443688
Energy: 1.1812995744450685
Energy: 1.334113117145851
Energy: 1.1812995744440618
Energy: 1.2392967544162001
Energy: 1.0639599871083492
Energy: 1.239296754416955
Energy: 1.0639599871071186
Energy: 1.2392967544164515
Energy: 1.0639599871059158
Energy: 1.084007887656813
Energy: 1.413120463631414
Energy: 1.0840078876634416
Energy: 1.4131204636319177
Energy: 1.084007887662211
Energy: 1.4131204636316659
Energy: 1.239103873355754
Energy: 1.0642735971709798
Energy: 1.239103873355754
Energy: 1.0642735971702526
Energy: 1.2391038733552784
Energy: 1.064273597170728
Energy: 1.3341131171461027
Energy: 1.1812995744460473
Energy: 1.3341131171455993
Energy: 1.1812995744467742
Energy: 1.3341131171448721
Energy: 1.181299574445292
Energy: 1.2392967544181859
Energy: 1.0639599871073702
Energy: 1.2392967544176823
Energy: 1.0639599871061398
Energy: 1.2392967544167035
Energy: 1.0639599871059158
Energy: 1.0840078876366208
Energy: 1.413120463631414
Energy: 1.0840078876373758
Energy: 1.413120463631414
Energy: 1.084007887632929
Energy: 1.413120463631414

minimum gb energy = 1.0639599871059158 eV
minimum distance =  2.39025942415193 Angstroms
sigma value = 3


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

Energy: 1.6166507735701836
Energy: 1.496082735528443
Energy: 1.518724903225644
Energy: 1.4960827355311224
Energy: 1.6166507735624496
Energy: 1.4960827355327666
Energy: 1.4810767705798682
Energy: 1.2914049314884444
Energy: 1.4810767705765189
Energy: 1.2914049314817462
Energy: 1.4810767705704904
Energy: 1.2914049314817462
Energy: 1.432070070160879
Energy: 1.5349679615402398
Energy: 1.4319663739229749
Energy: 1.5349679615355512
Energy: 1.43207007015753
Energy: 1.5349679615355512
Energy: 1.3248056731500382
Energy: 1.3701609308954654
Energy: 1.3248056731476634
Energy: 1.3701401207075372
Energy: 1.3248056731433397
Energy: 1.3310332257688435
Energy: 1.4966870451462053
Energy: 1.3890993155319389
Energy: 1.4966870451498588
Energy: 1.388649477494731
Energy: 1.4966870451465097
Energy: 1.3888803937047345
Energy: 1.4359270410443816
Energy: 1.353216711509837
Energy: 1.4359270410413978
Energy: 1.353216711504844
Energy: 1.4359270410470608
Energy: 1.353216711507523
Energy: 1.438011574609791
Energy: 1.5587041552392529
Energy: 1.4377863898312193
Energy: 1.5587041552258563
Energy: 1.4380115746030926
Energy: 1.5587041552245164
Energy: 1.271903830871186
Energy: 1.290950516714372
Energy: 1.2719038308782498
Energy: 1.2912158805261293
Energy: 1.2719038308798938
Energy: 1.290923203488615
Energy: 1.4791760111181687
Energy: 1.2255305338534932
Energy: 1.4791760111148196
Energy: 1.2265002721338556
Energy: 1.4791760111114702
Energy: 1.2263790606784082
Energy: 1.350923474814853
Energy: 1.408680340135523
Energy: 1.3501935205224436
Energy: 1.4086803401324781
Energy: 1.3502895743953902
Energy: 1.408680340133148
Energy: 1.3594685497959496
Energy: 1.5882411817412396
Energy: 1.3594685497943055
Energy: 1.5882411817432494
Energy: 1.359468549792966
Energy: 1.5882411817416053
Energy: 1.3749716931846976
Energy: 1.4349715597315265
Energy: 1.3750221132798157
Energy: 1.4349715586937677
Energy: 1.374971693177634
Energy: 1.4349715596612544
Energy: 1.5205742745150692
Energy: 1.2252145952162026
Energy: 1.5205742745150692
Energy: 1.2232926222598302
Energy: 1.5205742745150692
Energy: 1.2243481545538426
Energy: 1.2517534239558155
Energy: 1.299153492655284
Energy: 1.2516777925476659
Energy: 1.299153492650656
Energy: 1.25269492835467
Energy: 1.2991534926502903
Energy: 1.4850599016939943
Energy: 1.3776032716326192
Energy: 1.4850599016997184
Energy: 1.3776032716236069
Energy: 1.4850599016936898
Energy: 1.3776032716245812
Energy: 1.3589831191463617
Energy: 1.3849948541794919
Energy: 1.3589831191443522
Energy: 1.3849948541861903
Energy: 1.3589831191517205
Energy: 1.3849948541794919
Energy: 1.5676061412852837
Energy: 1.3273013479599525
Energy: 1.5676061412986804
Energy: 1.3273013479532543
Energy: 1.5676061410208204
Energy: 1.3273013479532543
Energy: 1.2437886055137957
Energy: 1.2993829174854394
Energy: 1.2448716556646329
Energy: 1.2993829174884235
Energy: 1.243779276085532
Energy: 1.299382917489763
Energy: 1.4789704133609198
Energy: 1.4036393791001436
Energy: 1.4789704133595802
Energy: 1.4036393791001436
Energy: 1.478970413356231
Energy: 1.4036393791001436
Energy: 1.3752090670438932
Energy: 1.3922561915365876
Energy: 1.3752090670432235
Energy: 1.3922561915399367
Energy: 1.3752090670495563
Energy: 1.3922561915298892
Energy: 1.5559029678400966
Energy: 1.352501293599114
Energy: 1.555918081101247
Energy: 1.3525012936000882
Energy: 1.5559027658637112
Energy: 1.3525012936014278
Energy: 1.3441939696757585
Energy: 1.442516735223539
Energy: 1.3440002881258433
Energy: 1.4425167352288977
Energy: 1.344193969682457
Energy: 1.4425167352285324
Energy: 1.327279732792387
Energy: 1.364866167954121
Energy: 1.3272797327883683
Energy: 1.3648354205409043
Energy: 1.3272797327926915
Energy: 1.3250883182527493
Energy: 1.3446589748351438
Energy: 1.3104847752823874
Energy: 1.3446589748351438
Energy: 1.3104847752857363
Energy: 1.3446589748284454
Energy: 1.3104847752890858
Energy: 1.3219790247449656
Energy: 1.4110469163041695
Energy: 1.3222869294275692
Energy: 1.411046916306179
Energy: 1.3235224753635086
Energy: 1.411046916307823
Energy: 1.3742116937694975
Energy: 1.461559803338351
Energy: 1.374136384135287
Energy: 1.4615598033437096
Energy: 1.3742116937668183
Energy: 1.4615598033450492
Energy: 1.331643024998771
Energy: 1.3215453588625539
Energy: 1.3316430250001106
Energy: 1.3215583495221794
Energy: 1.3316430250007802
Energy: 1.3215453476343364
Energy: 1.323155171112011
Energy: 1.2169864582973913
Energy: 1.3192096036640701
Energy: 1.2169864582973913
Energy: 1.3206569021950822
Energy: 1.2169864582973913
Energy: 1.312765604392523
Energy: 1.3314140327449404
Energy: 1.3117752246145176
Energy: 1.3314140327382422
Energy: 1.3113996768895335
Energy: 1.3314140327382422
Energy: 1.466648621109438
Energy: 1.4412483888202878
Energy: 1.357850876027022
Energy: 1.4412483888219318
Energy: 1.4666486211080985
Energy: 1.4412483888216274
Energy: 1.4377028044924138
Energy: 1.3190781095350161
Energy: 1.327204776155608
Energy: 1.3190781095359905
Energy: 1.4377028044971025
Energy: 1.3190781095370256
Energy: 1.3397040445152562
Energy: 1.298403711580813
Energy: 1.3390436089141662
Energy: 1.2984037115774636
Energy: 1.3407697462908794
Energy: 1.2984037115774636
Energy: 1.3021077929684177
Energy: 1.3715409690573348
Energy: 1.3041400987300198
Energy: 1.3724402846019519
Energy: 1.3041646094344612
Energy: 1.3729603745488173
Energy: 1.3575035679118614
Energy: 1.3423569438184981
Energy: 1.357503567911496
Energy: 1.3425660141513864
Energy: 1.3575035679101564
Energy: 1.3436904233905778
Energy: 1.3641595335049472
Energy: 1.420577385141243
Energy: 1.3641595334948995
Energy: 1.420577385145262
Energy: 1.3641595334948995
Energy: 1.420577385145262
Energy: 1.3990238026794712
Energy: 1.353471810084245
Energy: 1.4008832662842408
Energy: 1.3534718100945973
Energy: 1.3993983711305025
Energy: 1.3534718100858893
Energy: 1.3481300555896816
Energy: 1.396394498677775
Energy: 1.3478564956643406
Energy: 1.3969812269740696
Energy: 1.3481300555863323
Energy: 1.398545396736673
Energy: 1.3575070730533452
Energy: 1.2069197868416173
Energy: 1.357507073064428
Energy: 1.2071130985819478
Energy: 1.3575070730573644
Energy: 1.206748833844986
Energy: 1.2976771180106235
Energy: 1.4458525709534114
Energy: 1.297677118007274
Energy: 1.445852570953777
Energy: 1.297677118007274
Energy: 1.4458525709540815
Energy: 1.3851136499277872
Energy: 1.4113555064637673
Energy: 1.3858729146293922
Energy: 1.4113555064620624
Energy: 1.3876567735807244
Energy: 1.4113555064617578
Energy: 1.3774271476304734
Energy: 1.3842239586305627
Energy: 1.3774041522934375
Energy: 1.3842239564210779
Energy: 1.3774271476267588
Energy: 1.3842239577367579
Energy: 1.5442637580341905
Energy: 1.2909292041397475
Energy: 1.5442637580315113
Energy: 1.2909292041430966
Energy: 1.5442637580268221
Energy: 1.2909292041430966
Energy: 1.3474228970654347
Energy: 1.298246333381615
Energy: 1.3474228973298983
Energy: 1.2982463333842942
Energy: 1.3474229115374854
Energy: 1.2982463333796053
Energy: 1.3546049941783844
Energy: 1.3329269984194214
Energy: 1.3542725288303408
Energy: 1.3329269984227703
Energy: 1.3561937385260467
Energy: 1.3329269984194214
Energy: 1.361541353893834
Energy: 1.4428734027818284
Energy: 1.3615413538884753
Energy: 1.4428734027851775
Energy: 1.3615413538918246
Energy: 1.4428734027828636
Energy: 1.5534652288306607
Energy: 1.3289312907066921
Energy: 1.5534652288266415
Energy: 1.3289312907100415
Energy: 1.553465228821344
Energy: 1.3289312907066921
Energy: 1.5287389715401738
Energy: 1.2984635014431205
Energy: 1.5286920254901333
Energy: 1.2984635014344124
Energy: 1.5287389715334756
Energy: 1.2984635014350823
Energy: 1.3593660137953234
Energy: 1.3798259488900184
Energy: 1.359495895545047
Energy: 1.3798259883760602
Energy: 1.3592979304241795
Energy: 1.379825996035574
Energy: 1.3770686384416588
Energy: 1.3156858282610764
Energy: 1.377068638446713
Energy: 1.3145227055151296
Energy: 1.3770686384476871
Energy: 1.3139073910661805
Energy: 1.4640649641795622
Energy: 1.353728553447208
Energy: 1.464064964179258
Energy: 1.3537285516829818
Energy: 1.4640649641772485
Energy: 1.3537285517710347
Energy: 1.3347070679446524
Energy: 1.403894149650008
Energy: 1.3349939425896469
Energy: 1.4038941496450146
Energy: 1.3344025308873546
Energy: 1.4038941496463542

minimum gb energy = 1.206748833844986 eV
minimum distance =  2.31757844954896 Angstroms
sigma value = 81


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

Energy: 1.568907473156609
Energy: 1.5104077709822044
Energy: 1.4207131470820533
Energy: 1.510407770978109
Energy: 1.5689074731547705
Energy: 1.5104077709776493
Energy: 1.506471232330508
Energy: 1.480961450093151
Energy: 1.5064712323397014
Energy: 1.480961450093151
Energy: 1.506471232342
Energy: 1.480961450092691
Energy: 1.3718502446687764
Energy: 1.2302024664152
Energy: 1.4653627776568083
Energy: 1.230202466419797
Energy: 1.371546741304633
Energy: 1.2302024664202564
Energy: 1.406570212559197
Energy: 1.494490593001834
Energy: 1.4065702125582777
Energy: 1.4944905929953984
Energy: 1.4065702125568986
Energy: 1.4944905929972372
Energy: 1.4891285106829848
Energy: 1.3798040736389363
Energy: 1.4891285106862024
Energy: 1.3798040736426134
Energy: 1.4891285106871217
Energy: 1.3798040736430732
Energy: 1.4028315346284899
Energy: 1.3807218616924701
Energy: 1.4028315346271107
Energy: 1.3807218616933896
Energy: 1.402831534626651
Energy: 1.380721861693849
Energy: 1.2320224443921206
Energy: 1.3786927272112375
Energy: 1.232022444394419
Energy: 1.3786927272084795
Energy: 1.232022444397177
Energy: 1.3786927272089393
Energy: 1.49541628697214
Energy: 1.4741901934486146
Energy: 1.4951593559037548
Energy: 1.4741901934504533
Energy: 1.4954162869670835
Energy: 1.4741901934555097
Energy: 1.6433903822590972
Energy: 1.229113491994548
Energy: 1.6433903814412594
Energy: 1.2292094182257622
Energy: 1.6433903819829607
Energy: 1.2289878335769437
Energy: 1.2227422938554815
Energy: 1.4924586877552493
Energy: 1.2229066555178265
Energy: 1.4924586877547896
Energy: 1.222717287501968
Energy: 1.4924586877547896
Energy: 1.5287997344598268
Energy: 1.431428594339764
Energy: 1.5287997344598268
Energy: 1.4314285943388447
Energy: 1.5287997344547706
Energy: 1.4314285943388447
Energy: 1.2338754690416782
Energy: 1.3918681015546244
Energy: 1.233875469044896
Energy: 1.391867981843807
Energy: 1.2338754690471945
Energy: 1.3918680457409118
Energy: 1.5293497034426473
Energy: 1.494669510399676
Energy: 1.529349703451381
Energy: 1.4946695104001357
Energy: 1.5293497034449457
Energy: 1.4946695104024341
Energy: 1.2295534083028101
Energy: 1.2341431452225222
Energy: 1.2288464678657263
Energy: 1.2341431452211433
Energy: 1.2300903444958562
Energy: 1.2341431452211433
Energy: 1.4756468221309997
Energy: 1.3726595430476718
Energy: 1.4756468221287014
Energy: 1.3726595430458328
Energy: 1.475646822127782
Energy: 1.3726595430467523
Energy: 1.4956199735544136
Energy: 1.3861601186914172
Energy: 1.4956199735525748
Energy: 1.3861601186923362
Energy: 1.4956199735567117
Energy: 1.3861601186923362
Energy: 1.543377761134055
Energy: 1.3593132203558036
Energy: 1.543938686083901
Energy: 1.3593132203590212
Energy: 1.5433777611322161
Energy: 1.3593132203594809
Energy: 1.323020388086145
Energy: 1.6231689984623006
Energy: 1.3229087946356148
Energy: 1.6231689984623006
Energy: 1.3230203880870646
Energy: 1.6231689984627604
Energy: 1.2268677959061296
Energy: 1.3933508763430429
Energy: 1.2268677959024523
Energy: 1.3933508763439622
Energy: 1.226867795900154
Energy: 1.3933508763430429
Energy: 1.4948767805723961
Energy: 1.2268126284159846
Energy: 1.4948767805907828
Energy: 1.2265943177679197
Energy: 1.4948767804965921
Energy: 1.2265233074760094
Energy: 1.376421525912267
Energy: 1.4961691862261397
Energy: 1.376421525910888
Energy: 1.496169186228438
Energy: 1.3764215259127266
Energy: 1.4961691862265991
Energy: 1.4492863190609395
Energy: 1.4338572191532235
Energy: 1.296837241557284
Energy: 1.433857219159659
Energy: 1.4492863190489882
Energy: 1.433857219159659
Energy: 1.4506599543800978
Energy: 1.2237266546168213
Energy: 1.2992859714036653
Energy: 1.223726654624134
Energy: 1.4506599543800978
Energy: 1.223726654624594
Energy: 1.5854903197512378
Energy: 1.4956570131565585
Energy: 1.5854903197489396
Energy: 1.4956570131538003
Energy: 1.5854903197484798
Energy: 1.4956570131538003
Energy: 1.452087660922687
Energy: 1.4155145422315285
Energy: 1.4520876609355575
Energy: 1.4155145152337336
Energy: 1.452087660941993
Energy: 1.4155145234021231
Energy: 1.475005139518066
Energy: 1.4593330204320238
Energy: 1.4750051395171466
Energy: 1.4593504000176045
Energy: 1.4750051395189854
Energy: 1.457856140241617
Energy: 1.3212305488615668
Energy: 1.3915005613452887
Energy: 1.3212305488620262
Energy: 1.3915005613448292
Energy: 1.3212305488615668
Energy: 1.3915005613443696
Energy: 1.392619217723157
Energy: 1.3801511368664015
Energy: 1.3926192080936837
Energy: 1.3801511368654824
Energy: 1.3926191805371797
Energy: 1.3801511368677806
Energy: 1.4994717031769205
Energy: 1.5321744374882447
Energy: 1.499581624673174
Energy: 1.5321744374781316
Energy: 1.4994717031782996
Energy: 1.5321744374790511
Energy: 1.2324874810347102
Energy: 1.3523598227317317
Energy: 1.232487481031033
Energy: 1.3523598227308122
Energy: 1.2324874810314925
Energy: 1.3523598227303528
Energy: 1.4940989181799837
Energy: 1.4727441176890492
Energy: 1.4940989181790645
Energy: 1.4727441176899685
Energy: 1.4940989181809032
Energy: 1.4727441176895089
Energy: 1.3843266923042197
Energy: 1.4974070026947492
Energy: 1.384326692304679
Energy: 1.4974070026961281
Energy: 1.384326692301921
Energy: 1.4974070026970476
Energy: 1.2330986767561232
Energy: 1.382361869818594
Energy: 1.233098676756583
Energy: 1.3823618343404185
Energy: 1.2330986767602603
Energy: 1.382361777889435
Energy: 1.2282886070497743
Energy: 1.231544240522721
Energy: 1.228288607048855
Energy: 1.2315442405153665
Energy: 1.228288607048855
Energy: 1.2315442405158261
Energy: 1.3590966953233166
Energy: 1.7190744942430436
Energy: 1.3602954588614244
Energy: 1.7190744942458016
Energy: 1.36136164702188
Energy: 1.719074494243963
Energy: 1.4108812337022794
Energy: 1.4929988034201602
Energy: 1.410500493082676
Energy: 1.4929841380212432
Energy: 1.410832108173204
Energy: 1.4929910835753126
Energy: 1.4995531862623628
Energy: 1.3862501471843585
Energy: 1.499553186263282
Energy: 1.3862501471843585
Energy: 1.4995531862619031
Energy: 1.3862501471843585
Energy: 1.4317836464284377
Energy: 1.354795984076347
Energy: 1.4317836464316553
Energy: 1.354795984076347
Energy: 1.431783646432115
Energy: 1.3547959840772248

minimum gb energy = 1.222717287501968 eV
minimum distance =  2.32998415342041 Angstroms
sigma value = 43


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

Energy: 1.6748333203998833
Energy: 1.4931199072497128
Energy: 1.6748333203998833
Energy: 1.4931199072491481
Energy: 1.6748333203993186
Energy: 1.4931199072491481
Energy: 1.3524835935263022
Energy: 1.2635966070518987
Energy: 1.3524835935257375
Energy: 1.2635966070524633
Energy: 1.3524835935212463
Energy: 1.2635966070518987
Energy: 1.4806778278525692
Energy: 1.5228961915978994
Energy: 1.4806778278520045
Energy: 1.522896191597335
Energy: 1.4806778278536985
Energy: 1.5228961915978994
Energy: 1.2984756472781969
Energy: 1.298291468107889
Energy: 1.2984756472731152
Energy: 1.298291374072158
Energy: 1.2984756472770675
Energy: 1.2982914096180258
Energy: 1.4809109170727708
Energy: 1.2881261027970718
Energy: 1.4809109170733354
Energy: 1.2885122971224146
Energy: 1.4809109170733354
Energy: 1.2130670787639724
Energy: 1.2866147546965696
Energy: 1.3641778870091978
Energy: 1.2866422529273367
Energy: 1.3641778870108916
Energy: 1.2865900923989997
Energy: 1.3641778870080687
Energy: 1.4742941648438592
Energy: 1.4346681234973881
Energy: 1.4742941648444239
Energy: 1.43466812355326
Energy: 1.4742941648444239
Energy: 1.4346681235301362
Energy: 1.340373143227879
Energy: 1.2322212269468282
Energy: 1.340373143227879
Energy: 1.233160046372755
Energy: 1.340373143227879
Energy: 1.2337589548961998
Energy: 1.447888978948458
Energy: 1.2295470068399792
Energy: 1.4465512270436722
Energy: 1.2295470068405439
Energy: 1.4483397521997823
Energy: 1.2295470068388499
Energy: 1.2563933074280385
Energy: 1.3674356531681482
Energy: 1.2563933074308617
Energy: 1.3674356531681482
Energy: 1.2563933074387665
Energy: 1.3674356531681482
Energy: 1.605641666238526
Energy: 1.3132064359120703
Energy: 1.605641666238526
Energy: 1.3132064359120703
Energy: 1.605641666238526
Energy: 1.3132064359120703
Energy: 1.341066444423382
Energy: 1.3623736017391554
Energy: 1.3410664444239464
Energy: 1.3623736102803876
Energy: 1.341066444423382
Energy: 1.362374099160025
Energy: 1.420608754990938
Energy: 1.3650736467951248
Energy: 1.4208057642379048
Energy: 1.3650736467951248
Energy: 1.4209775207223585
Energy: 1.3650736467973834
Energy: 1.2080463715014154
Energy: 1.5763079962150912
Energy: 1.2080463715008507
Energy: 1.5763079962150912
Energy: 1.2080463715008507
Energy: 1.5763079962150912
Energy: 1.3642713833470366
Energy: 1.3626108597857212
Energy: 1.364271383347601
Energy: 1.362610462879016
Energy: 1.364271383347601
Energy: 1.3626101373665565
Energy: 1.2921394123267007
Energy: 1.234414615736094
Energy: 1.2917564617850146
Energy: 1.2336747945909619
Energy: 1.2919026509957388
Energy: 1.2339327436199738
Energy: 1.2944537847428708
Energy: 1.2598260408457491
Energy: 1.2946232992124589
Energy: 1.2598260408451845
Energy: 1.2947302952078266
Energy: 1.2598260408451845
Energy: 1.4193004042338542
Energy: 1.389711175495664
Energy: 1.4193004042344188
Energy: 1.3897111754950995
Energy: 1.4193004042287725
Energy: 1.3897111754962286
Energy: 1.5126551772708567
Energy: 1.3558429117393476
Energy: 1.5126551772697274
Energy: 1.3558429117393476
Energy: 1.5126551772702923
Energy: 1.3558429117393476
Energy: 1.2970102761296736
Energy: 1.2594555828173335
Energy: 1.2990841986386883
Energy: 1.259455582817898
Energy: 1.299760185089982
Energy: 1.259455582817898
Energy: 1.2918555793422546
Energy: 1.326488019303941
Energy: 1.2915140471893694
Energy: 1.3264880193022472
Energy: 1.2917054507403463
Energy: 1.3264880193078932
Energy: 1.428206814049379
Energy: 1.2003871069925034
Energy: 1.42820681404825
Energy: 1.1996685787619206
Energy: 1.4282068140499438
Energy: 1.1999879272841392
Energy: 1.2014003630035017
Energy: 1.374629469440664
Energy: 1.2014003630029373
Energy: 1.3746294694299364
Energy: 1.2014003630035017
Energy: 1.374629469433324
Energy: 1.4126753917905182
Energy: 1.3639806352147592
Energy: 1.412559505180664
Energy: 1.3639806352119364
Energy: 1.412661888491453
Energy: 1.3639806352164532
Energy: 1.340765756041911
Energy: 1.3529863748376527
Energy: 1.3407657560424755
Energy: 1.3529863748393467
Energy: 1.3407657560424755
Energy: 1.3529863748370883
Energy: 1.4279386865160941
Energy: 1.399387701051658
Energy: 1.4279386865160941
Energy: 1.3993877010522229
Energy: 1.4279386865160941
Energy: 1.3993877010527873
Energy: 1.2579521034251444
Energy: 1.2644411802434425
Energy: 1.2579521034115935
Energy: 1.2644411802451363
Energy: 1.2579521034127226
Energy: 1.2644411802406195
Energy: 1.334034658184097
Energy: 1.2304076378366802
Energy: 1.3330892862333144
Energy: 1.2304076378389388
Energy: 1.3331604362102547
Energy: 1.2304076378349866
Energy: 1.3410357256678849
Energy: 1.2311705675436995
Energy: 1.3410357256678849
Energy: 1.2310905927106819
Energy: 1.3410357256678849
Energy: 1.230937784184433
Energy: 1.4474794745386748
Energy: 1.474490092555919
Energy: 1.4474794745403687
Energy: 1.474490092555919
Energy: 1.447479474539804
Energy: 1.4744900925564834
Energy: 1.349076179485842
Energy: 1.3647062192119719
Energy: 1.3490917690498987
Energy: 1.3647062192147952
Energy: 1.3490785860473826
Energy: 1.364706219223829

minimum gb energy = 1.1996685787619206 eV
minimum distance =  2.38459613297845 Angstroms
sigma value = 57


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

Energy: 1.5837114316589511
Energy: 1.3368563929460338
Energy: 1.58371143165822
Energy: 1.3368563929453023
Energy: 1.58371143165822
Energy: 1.3368563929453023
Energy: 1.362839926621739
Energy: 1.1910027446756264
Energy: 1.3628399266210083
Energy: 1.1910027446748954
Energy: 1.362839926621739
Energy: 1.1910027446748954
Energy: 1.4266142483819098
Energy: 1.5609002633305802
Energy: 1.4266142483819098
Energy: 1.5609002633291182
Energy: 1.4266142483833717
Energy: 1.5609002633313114
Energy: 1.3809137884799974
Energy: 1.1897051074660496
Energy: 1.3809137884814595
Energy: 1.190425304162347
Energy: 1.3809137884792662
Energy: 1.190407882528267
Energy: 1.3715365695482642
Energy: 1.2023005102205633
Energy: 1.3715365695497264
Energy: 1.2020192027588517
Energy: 1.3715365695489952
Energy: 1.2021611739137281
Energy: 1.3250750662090822
Energy: 1.2536860281549926
Energy: 1.325075288311334
Energy: 1.2536860281527993
Energy: 1.3250753237720196
Energy: 1.2536860281535305
Energy: 1.3925397526042678
Energy: 1.4113258889293185
Energy: 1.3925397526042678
Energy: 1.4113258889344362
Energy: 1.3925397526057297
Energy: 1.4113258889446711
Energy: 1.3814239775546548
Energy: 1.3528188731207396
Energy: 1.3814239775524615
Energy: 1.3528188731207396
Energy: 1.3814239775561168
Energy: 1.3528188731192774
Energy: 1.380813917722123
Energy: 1.1927804047111967
Energy: 1.3808139177206609
Energy: 1.192780404711928
Energy: 1.380813917722123
Energy: 1.19278040471339
Energy: 1.0934403337469956
Energy: 1.4025711013427735
Energy: 1.0934403337703895
Energy: 1.4025711013427735
Energy: 1.0934403337601548
Energy: 1.4025711013427735
Energy: 1.3922554420505875
Energy: 1.1974936858237895
Energy: 1.3922554420491253
Energy: 1.1875739783698336
Energy: 1.3922554420505875
Energy: 1.1875575437656554
Energy: 1.5358243851648525
Energy: 1.18897549705408
Energy: 1.5358243851648525
Energy: 1.1865274641734516
Energy: 1.5358243851655835
Energy: 1.1865312346615142
Energy: 1.0820814210165461
Energy: 1.1926833470769431
Energy: 1.0817949578968316
Energy: 1.1926833470784053
Energy: 1.0949833553438342
Energy: 1.192683347075481
Energy: 1.4006149971627344
Energy: 1.1845217777817298
Energy: 1.400614997155457
Energy: 1.1845217774857812
Energy: 1.400614997168583
Energy: 1.1845217778226362
Energy: 1.2475309862568964
Energy: 1.1872434524418198
Energy: 1.2475309862598207
Energy: 1.1872434524410886
Energy: 1.2475309862583586
Energy: 1.1872434524418198
Energy: 1.534730247202651
Energy: 1.3917198700228481
Energy: 1.534730247202651
Energy: 1.3917198700243103
Energy: 1.534730247202651
Energy: 1.3917198700228481
Energy: 1.0970117896966767
Energy: 1.3626808469123692
Energy: 1.0970117896966767
Energy: 1.3626808469152936
Energy: 1.0970117896966767
Energy: 1.3626808469123692
Energy: 1.3903403535343077
Energy: 1.0922856275883188
Energy: 1.3903403535350392
Energy: 1.092285627559076
Energy: 1.3903403535350392
Energy: 1.0922856277271547
Energy: 1.0916575584773476
Energy: 1.362734350231968
Energy: 1.0916575584773476
Energy: 1.3627343502326992
Energy: 1.0916575584780788
Energy: 1.362734350231237
Energy: 1.5350529099948156
Energy: 1.3898760463865356
Energy: 1.5350529099948156
Energy: 1.3898760463850734
Energy: 1.5350529099962777
Energy: 1.3898760463858042
Energy: 1.2483040799459768
Energy: 1.1881731073175141
Energy: 1.2483040799437835
Energy: 1.1881731073145898
Energy: 1.248304079947439
Energy: 1.1881731073153208
Energy: 1.4000300743197385
Energy: 1.3931013398276273
Energy: 1.4000300743058482
Energy: 1.3931013398283585
Energy: 1.4000300743021927
Energy: 1.3931013398268963
Energy: 1.081536907086509
Energy: 1.193108123190091
Energy: 1.0817695486231826
Energy: 1.193108123190822
Energy: 1.0818675076466189
Energy: 1.193108123190091
Energy: 1.362486292504748
Energy: 1.186917703884497
Energy: 1.3624862925076722
Energy: 1.187657931189528
Energy: 1.3624862925098653
Energy: 1.1874872256137858

minimum gb energy = 1.081536907086509 eV
minimum distance =  2.40885662493555 Angstroms
sigma value = 17


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

Energy: 1.2508871617534334
Energy: 1.35656307959122
Energy: 1.2508871617555013
Energy: 1.35656307959122
Energy: 1.2508871617534334
Energy: 1.35656307959122
Energy: 1.2013662185647012
Energy: 1.1851399311914075
Energy: 1.2013662185647012
Energy: 1.1851399311903736
Energy: 1.2013662185647012
Energy: 1.1851399311934752
Energy: 1.3824825811472279
Energy: 1.4434510469144197
Energy: 1.3824825811451602
Energy: 1.4434510469154536
Energy: 1.3824825811461943
Energy: 1.4434510469154536
Energy: 1.0736913205724627
Energy: 1.178146553012355
Energy: 1.0736913205724627
Energy: 1.178255545926162
Energy: 1.0736913205734964
Energy: 1.1782838495671197
Energy: 1.116030594567982
Energy: 1.4432511899910458
Energy: 1.116106135809508
Energy: 1.4432511899869103
Energy: 1.1158891103100963
Energy: 1.443251189990012
Energy: 1.0706925053237242
Energy: 1.4214538814121245
Energy: 1.0707423037911665
Energy: 1.4214538814110904
Energy: 1.0706354384077172
Energy: 1.4214538814110904
Energy: 1.288109843860129
Energy: 1.2215864503050087
Energy: 1.288109843860129
Energy: 1.2215864503060425
Energy: 1.288109843860129
Energy: 1.2215864503060425
Energy: 1.0737204154743893
Energy: 1.3088757174211623
Energy: 1.0737204154774909
Energy: 1.308875717422196
Energy: 1.073720415475423
Energy: 1.308875717422196
Energy: 1.0629106588853476
Energy: 1.2717844587981553
Energy: 1.0645855720607909
Energy: 1.2717844587836808
Energy: 1.0629041108399917
Energy: 1.271784458782647
Energy: 1.2715023788940452
Energy: 1.2928329791955446
Energy: 1.2715023788940452
Energy: 1.2928329791945108
Energy: 1.2715023788950792
Energy: 1.2928329791955446
Energy: 1.314638215864632
Energy: 1.1671537908015626
Energy: 1.3146382158666996
Energy: 1.1671537908015626
Energy: 1.3146382158666996
Energy: 1.1671537908025968
Energy: 1.2119459886904833
Energy: 1.18429364076785
Energy: 1.2119459886894497
Energy: 1.1842936407699178
Energy: 1.2119459886873818
Energy: 1.18429364076785
Energy: 1.0761664137763793
Energy: 1.3089254778089885
Energy: 1.0761664137763793
Energy: 1.3089254778089885
Energy: 1.0761664137774134
Energy: 1.3089254778089885
Energy: 1.2704906741547286
Energy: 1.2082594671444993
Energy: 1.2704906741557627
Energy: 1.2082594671207196
Energy: 1.2704906741547286
Energy: 1.208259467121754
Energy: 1.1784987502683513
Energy: 1.1144714520788468
Energy: 1.1788132443642154
Energy: 1.1144714520788468
Energy: 1.1785815687921757
Energy: 1.114471452076779
Energy: 1.0727301112729455
Energy: 1.3079586678414725
Energy: 1.0735811734652438
Energy: 1.3079586678414725
Energy: 1.073757546624075
Energy: 1.3079586678414725
Energy: 1.2705028276704247
Energy: 1.3248796277254524
Energy: 1.2705028276714585
Energy: 1.3248796277264863
Energy: 1.270502827676628
Energy: 1.3248796277254524

minimum gb energy = 1.0629041108399917 eV
minimum distance =  2.33365132947891 Angstroms
sigma value = 17


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

Energy: 1.13343672293735
Energy: 1.183396362770731
Energy: 1.1334367229381486
Energy: 1.183396362770731
Energy: 1.1334367229381486
Energy: 1.1833963627711301
Energy: 1.123451906493524
Energy: 1.165941460931256
Energy: 1.123451906491927
Energy: 1.1659414609304573
Energy: 1.1234519064923265
Energy: 1.1659414609292595
Energy: 1.1958104906430203
Energy: 1.140966575221907
Energy: 1.195810474524549
Energy: 1.1409665752159182
Energy: 1.195810236262068
Energy: 1.1409665752187128
Energy: 1.0286809818969727
Energy: 1.2939127856855779
Energy: 1.028680981881402
Energy: 1.2939127856847794
Energy: 1.028680981879805
Energy: 1.2939127856847794
Energy: 1.175054327095331
Energy: 1.1387689226452467
Energy: 1.1750543270925364
Energy: 1.1387689226460453
Energy: 1.175054327094533
Energy: 1.138768922647243
Energy: 0.9720839430026527
Energy: 1.2160088275552776
Energy: 0.9718143724988001
Energy: 1.2160088275560763
Energy: 0.9713412699319538
Energy: 1.2160088275552776
Energy: 1.1253911762292745
Energy: 1.2144572452967177
Energy: 1.1253911762272781
Energy: 1.2144572452979154
Energy: 1.1253911762304722
Energy: 1.2144572452963185
Energy: 1.211893849838314
Energy: 1.1693960601754056
Energy: 1.2118938498359189
Energy: 1.1693960597328201
Energy: 1.2118938498359189
Energy: 1.1693960598613058
Energy: 1.241154046894401
Energy: 1.2444187349952034
Energy: 1.241154046895998
Energy: 1.2444187349952034
Energy: 1.241154046894401
Energy: 1.2444187349952034
Energy: 1.123879732006759
Energy: 1.0915496518399204
Energy: 1.123879732008356
Energy: 1.0915496518399204
Energy: 1.1238797320063598
Energy: 1.0915496518399204
Energy: 1.1135316061315284
Energy: 1.1872356296284834
Energy: 1.1135316061335248
Energy: 1.1872356296228939
Energy: 1.113531606132327
Energy: 1.1872356296196998
Energy: 1.3491063853128418
Energy: 1.1938089808054229
Energy: 1.3491063853120433
Energy: 1.193808980804225
Energy: 1.3491063853140397
Energy: 1.1938089808050236
Energy: 1.2205465875711354
Energy: 1.1270432307095695
Energy: 1.220546587570337
Energy: 1.1270432307059761
Energy: 1.220546587571535
Energy: 1.1270432307063754
Energy: 1.220150465405682
Energy: 1.1847402520050565
Energy: 1.2201504654068798
Energy: 1.1847402520046573
Energy: 1.220150465405682
Energy: 1.184740252004258
Energy: 1.1444977414845148
Energy: 1.1139530040323855
Energy: 1.1444977414777275
Energy: 1.1139530040339827
Energy: 1.1444977414665487
Energy: 1.1139530040335837
Energy: 1.1289300703488234
Energy: 1.2099718297032898
Energy: 1.1289300703492224
Energy: 1.2099718297036888
Energy: 1.1289300703472263
Energy: 1.2099718297032898
Energy: 1.2207931007982373
Energy: 1.2727436323213897
Energy: 1.2207931008014314
Energy: 1.2727436323213897
Energy: 1.2207931007990358
Energy: 1.2727436323217889
Energy: 1.2999344886714301
Energy: 1.242286797304391
Energy: 1.299934488671031
Energy: 1.242286797305988
Energy: 1.2999344886706317
Energy: 1.2422867973055887
Energy: 1.2503083039648788
Energy: 1.2061117832654666
Energy: 1.2503083039632819
Energy: 1.2061117832746495
Energy: 1.2503083039620841
Energy: 1.2061117832806383
Energy: 1.220063573363378
Energy: 1.2270636616506385
Energy: 1.2200635733609828
Energy: 1.0779524682520083
Energy: 1.2200635733637775
Energy: 1.2270636616542319
Energy: 1.2506957088944795
Energy: 1.206192348247683
Energy: 1.2506957088944795
Energy: 1.2061923482484813
Energy: 1.250695708893282
Energy: 1.2061923482480823
Energy: 1.3000040242301933
Energy: 1.2422117889156594
Energy: 1.3000040242277981
Energy: 1.2422117889140623
Energy: 1.3000040242329882
Energy: 1.2422117889132638
Energy: 1.220784809768391
Energy: 1.27261664095402
Energy: 1.2207848097695888
Energy: 1.272616640954419
Energy: 1.2207848097691896
Energy: 1.27261664095402
Energy: 1.1288257506485746
Energy: 1.2574602708405305
Energy: 1.1288257506477761
Energy: 1.257460270838534
Energy: 1.1288257506465784
Energy: 1.2574602708353404
Energy: 1.1444026169233967
Energy: 1.1140730786839748
Energy: 1.1444026169194041
Energy: 1.1140730786835753
Energy: 1.1444026169206016
Energy: 1.114073078683176
Energy: 1.2201711057804472
Energy: 1.185357162711725
Energy: 1.220171105780048
Energy: 1.1853571627021429
Energy: 1.2201711057804472
Energy: 1.1853571627085309
Energy: 1.2202290944888123
Energy: 1.1270459851426322
Energy: 1.22022909449001
Energy: 1.1270459851402368
Energy: 1.2202290944896108
Energy: 1.1270459851406358
Energy: 1.3491134290391282
Energy: 1.1934037655665357
Energy: 1.3491134290395275
Energy: 1.193403765565737
Energy: 1.3491134290375313
Energy: 1.1934037655661365
Energy: 1.1135561700217351
Energy: 1.1867443961706174
Energy: 1.1135561700229326
Energy: 1.1867443961674236
Energy: 1.1135561700241305
Energy: 1.1867443961686215
Energy: 1.1238677400208086
Energy: 1.0913774921052333
Energy: 1.1238677400220065
Energy: 1.0913774921056327
Energy: 1.123867740021607
Energy: 1.091377492104834
Energy: 1.2412445159710732
Energy: 1.2448808285495
Energy: 1.2412445159714725
Energy: 1.2448808285578845
Energy: 1.241244515971872
Energy: 1.2448808285610784
Energy: 1.2127305715370267
Energy: 1.21498351518405
Energy: 1.2127305715426164
Energy: 1.2149835151848487
Energy: 1.2127305715450116
Energy: 1.2149835151848487
Energy: 1.1253486520770624
Energy: 1.2140460831149436
Energy: 1.1253486520814542
Energy: 1.2140460831145445
Energy: 1.125348652079458
Energy: 1.2140460831161415
Energy: 0.9719360675096367
Energy: 1.2164136566610475
Energy: 0.9717240800096756
Energy: 1.216413656660648
Energy: 0.9723853055503039
Energy: 1.2164136566594503
Energy: 1.1642089449379098
Energy: 1.138565676184132
Energy: 1.1642089444155472
Energy: 1.138565676184132
Energy: 1.1642089448756634
Energy: 1.138565676183733
Energy: 1.028561722799513
Energy: 1.2922615113422358
Energy: 1.0285617228098574
Energy: 1.2922615113482243
Energy: 1.0285617228003114
Energy: 1.292261511347825
Energy: 1.1959757374279674
Energy: 1.242537065478334
Energy: 1.195975621992954
Energy: 1.2425370654775356
Energy: 1.1959757481019195
Energy: 1.2425370654735433
Energy: 1.1235744146776245
Energy: 1.1958334479599297
Energy: 1.1235744146824154
Energy: 1.1526757027858099
Energy: 1.123574414678423
Energy: 1.1958334479535784
Energy: 1.1334367229413427
Energy: 1.1833963627703314
Energy: 1.1334367229405442
Energy: 1.183396362770731
Energy: 1.1334367229413427
Energy: 1.183396362770731
Energy: 1.123451906491927
Energy: 1.165941460934849
Energy: 1.1234519064923265
Energy: 1.1659414609336514
Energy: 1.1234519064923265
Energy: 1.1659414609352485
Energy: 1.1958103296076998
Energy: 1.140966575215519
Energy: 1.1958103926637795
Energy: 1.1409665752143212
Energy: 1.1958101911235106
Energy: 1.1409665752179143
Energy: 1.0286809818825997
Energy: 1.2647358828343156
Energy: 1.0286809818786071
Energy: 1.2647358828323194
Energy: 1.0286809818766112
Energy: 1.264735882835114
Energy: 1.1750543270961298
Energy: 1.138768922647642
Energy: 1.1750543270925364
Energy: 1.1387689226492392
Energy: 1.1750543270969283
Energy: 1.1387689226480415

minimum gb energy = 0.9713412699319538 eV
minimum distance =  2.35635237637399 Angstroms
sigma value = 57


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

Energy: 1.1118574297306418
Energy: 1.0828932208618212
Energy: 1.1118574297299917
Energy: 1.082893220859871
Energy: 1.1118574297293415
Energy: 1.0828932208605209
Energy: 1.0745599952231712
Energy: 1.053404810161026
Energy: 1.0745599952179705
Energy: 1.0534048101616762
Energy: 1.074559995219921
Energy: 1.053404810159726
Energy: 1.1323994313194483
Energy: 1.1470332155672889
Energy: 1.132399431318148
Energy: 1.1470332155633882
Energy: 1.1323994313077468
Energy: 1.1470332155666387
Energy: 1.0967632571630306
Energy: 1.1903538351546619
Energy: 1.0967632571617305
Energy: 1.190353835155312
Energy: 1.0967632571597805
Energy: 1.1903538351579122
Energy: 1.0715180044337802
Energy: 0.9999289115176938
Energy: 1.0715180044519232
Energy: 0.999928911518344
Energy: 1.0715180044428811
Energy: 0.9999289115176938
Energy: 1.2125706243377377
Energy: 1.0689001167710768
Energy: 1.2125706243377377
Energy: 1.0689001167717267
Energy: 1.2125706243390377
Energy: 1.0689001167704268
Energy: 1.0265401489888204
Energy: 1.1527470108643314
Energy: 1.0265401489881703
Energy: 1.1527470108649813
Energy: 1.0265401489888204
Energy: 1.1527470108649813
Energy: 1.0961130292916756
Energy: 1.1266819854387509
Energy: 1.0961130292910255
Energy: 1.126681948429711
Energy: 1.0961130292910255
Energy: 1.1266819145427918
Energy: 1.084802868391966
Energy: 1.0716710556956348
Energy: 1.084802868391966
Energy: 1.0716710556949847
Energy: 1.084802868390016
Energy: 1.0716710556943345
Energy: 1.0872192791342694
Energy: 1.1092296102780939
Energy: 1.08721927913752
Energy: 1.1092296102780939
Energy: 1.0872192791336195
Energy: 1.109229610279394
Energy: 1.0138734572278452
Energy: 1.13915240319487
Energy: 1.0138734572219945
Energy: 1.13915240319487
Energy: 1.0138734572284953
Energy: 1.1391524031942202
Energy: 1.1318762847316906
Energy: 1.0263764816658063
Energy: 1.1318762847303905
Energy: 1.0263764816710068
Energy: 1.1318762847316906
Energy: 1.0263764816599557
Energy: 1.0845375520649658
Energy: 1.148660515701089
Energy: 1.0845375520630156
Energy: 1.1486605157043392
Energy: 1.0845375520630156
Energy: 1.1486605157049894
Energy: 1.038658667201908
Energy: 1.1429459748342654
Energy: 1.0386586672051585
Energy: 1.1429459748342654
Energy: 1.038658667200608
Energy: 1.1429459748349153
Energy: 1.2043429295773158
Energy: 1.0947716539774772
Energy: 1.2043429295766657
Energy: 1.0947716539794274
Energy: 1.204342929579266
Energy: 1.094771653976177
Energy: 1.0818758688122012
Energy: 1.0714200713951976
Energy: 1.0818758688122012
Energy: 1.0714200713971478
Energy: 1.081875868811551
Energy: 1.0714200713984479
Energy: 1.1100757934842247
Energy: 1.1986987071685862
Energy: 1.1100757934874752
Energy: 1.1986987071685862
Energy: 1.1100757934881251
Energy: 1.1986987071692363
Energy: 1.0660677547972053
Energy: 1.146892399539231
Energy: 1.0660677547965554
Energy: 1.146892399539231
Energy: 1.0660677547985054
Energy: 1.146892399540531
Energy: 1.0518928639013552
Energy: 1.131660208868573
Energy: 1.0518928639046057
Energy: 1.1316602088659726
Energy: 1.0518928639046057
Energy: 1.1316602088666226
Energy: 1.038677447884124
Energy: 1.1804128722375444
Energy: 1.038677447883474
Energy: 1.1804128722375444
Energy: 1.0386774478795735
Energy: 1.1804128722381946
Energy: 1.1083768243845433
Energy: 1.137704364152219
Energy: 1.108376824379993
Energy: 1.1377043641535192
Energy: 1.1083768243786927
Energy: 1.137704364152219
Energy: 1.013948755286576
Energy: 1.131863004145298
Energy: 1.0139487552885262
Energy: 1.1318630041757924
Energy: 1.0139487552872262
Energy: 1.131863004164741
Energy: 1.1235107296617926
Energy: 1.1319420868349335
Energy: 1.1235107296624427
Energy: 1.1319420868336334
Energy: 1.1235107296617926
Energy: 1.1319420868336334
Energy: 1.116999859278323
Energy: 1.131400162947937
Energy: 1.116999859270522
Energy: 1.1314001629459869
Energy: 1.1169998592757227
Energy: 1.1314001629459869
Energy: 1.1163887132248578
Energy: 1.3366186754684068
Energy: 1.1163887133899173
Energy: 1.336618675469057
Energy: 1.1163887128856975
Energy: 1.3366186754684068
Energy: 1.0812164690241504
Energy: 1.1298798890770783
Energy: 1.0812164690228503
Energy: 1.129879889078378
Energy: 1.0812164690248005
Energy: 1.1298798890770783
Energy: 1.0274070386551892
Energy: 1.1315083394638974
Energy: 1.0274070386571394
Energy: 1.1315083394580467
Energy: 1.0274070386551892
Energy: 1.1315083394645475

minimum gb energy = 0.9999289115176938 eV
minimum distance =  2.34657862825698 Angstroms
sigma value = 43


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

Energy: 1.0282221542644638
Energy: 0.959308437887414
Energy: 1.0282221542658847
Energy: 0.9593084378869405
Energy: 1.0282221542658847
Energy: 0.959308437887414
Energy: 0.9502461742857968
Energy: 0.958033703727567
Energy: 0.9502461742872179
Energy: 0.9580337037270933
Energy: 0.9502461742905334
Energy: 0.9580337037270933
Energy: 0.9180635741086252
Energy: 1.0337664588890907
Energy: 0.9180635741124143
Energy: 1.033766458889564
Energy: 0.9180635741119408
Energy: 1.0337664588890907
Energy: 0.9755003961281289
Energy: 1.0050298959655841
Energy: 0.9755003961281289
Energy: 1.0050298959651105
Energy: 0.9755003961286025
Energy: 1.0050298959660577
Energy: 0.9535137015558462
Energy: 0.8943985608935022
Energy: 0.9535137015710027
Energy: 0.8943985608930287
Energy: 0.9535137015534779
Energy: 0.8943985608920814
Energy: 0.9878442988555232
Energy: 0.9480110999950951
Energy: 0.9878442988559968
Energy: 0.9480110999950951
Energy: 0.9878442988536285
Energy: 0.9480110999950951
Energy: 0.953243585339874
Energy: 0.9843740270450914
Energy: 0.9532435853389267
Energy: 0.984374027044144
Energy: 0.9532435853384531
Energy: 0.9843740270446176
Energy: 0.9532568667603225
Energy: 0.9053190030097448
Energy: 0.9532568667527872
Energy: 0.905319003009271
Energy: 0.9532568667849521
Energy: 0.9053190030116393
Energy: 0.9443552912506913
Energy: 0.9327740923425426
Energy: 0.9443552912492703
Energy: 0.9327740923425426
Energy: 0.9443552912487966
Energy: 0.9327740923425426
Energy: 1.0515150554780786
Energy: 0.9400801885704454
Energy: 1.0515150554790256
Energy: 0.9400801885713926
Energy: 1.051515055477605
Energy: 0.940080188570919
Energy: 1.039626367009902
Energy: 1.0188998568171204
Energy: 1.0396263670117967
Energy: 1.0188998568190148
Energy: 1.0396263670136914
Energy: 1.0188998568185412
Energy: 0.9024959597695973
Energy: 0.9347704830401458
Energy: 0.9024959597681762
Energy: 0.9347704830401458
Energy: 0.90249595976865
Energy: 0.9347704830401458
Energy: 1.0504174901735384
Energy: 0.8925079420690666
Energy: 1.0504174901730647
Energy: 0.8925079420695402
Energy: 1.0504174901740122
Energy: 0.8925079420709611
Energy: 0.9556980408971609
Energy: 1.0139710474300694
Energy: 0.9556980408952664
Energy: 1.013971047429122
Energy: 0.9556980408976345
Energy: 1.0139710474286483
Energy: 0.9301691247649087
Energy: 0.9203564259905178
Energy: 0.9301691247620668
Energy: 0.920356425992886
Energy: 0.9301691247639614
Energy: 0.9203564259947805
Energy: 0.9866964003642348
Energy: 0.9547991602439527
Energy: 0.9866964003637612
Energy: 0.9547991602449
Energy: 0.9866964003632875
Energy: 0.9547991602449
Energy: 0.9504030620692507
Energy: 1.0045069889610703
Energy: 0.9504030620678299
Energy: 1.0045069889624914
Energy: 0.9504030620692507
Energy: 1.0045069889610703
Energy: 0.9575256628502133
Energy: 0.9224352520145593
Energy: 0.9575256628487925
Energy: 0.9224352520140856
Energy: 0.9575256628492661
Energy: 0.9224352520140856
Energy: 0.9498326798239227
Energy: 1.0248507547692507
Energy: 0.9498326798248699
Energy: 1.0248507547697243
Energy: 0.9498326798253436
Energy: 1.0248507547697243
Energy: 0.9508348813475663
Energy: 0.9135499612476532
Energy: 0.950834881349461
Energy: 0.9135499612486003
Energy: 0.9508348813475663
Energy: 0.9135499612462322
Energy: 1.0240752494943546
Energy: 0.9566237218749265
Energy: 1.0240752494948284
Energy: 0.9566237218749265
Energy: 1.024075249496249
Energy: 0.9566237218754001
Energy: 0.9883825610742368
Energy: 1.0327757044335535
Energy: 0.9883825610728159
Energy: 1.0327757044330799
Energy: 0.9883825610728159
Energy: 1.0327757044335535
Energy: 1.010520540139982
Energy: 1.024402830720617
Energy: 1.010520540139982
Energy: 1.024402830720617
Energy: 1.010520540139982
Energy: 1.024402830720617
Energy: 0.9830013941404857
Energy: 0.956039636760767
Energy: 0.9830013941395385
Energy: 0.9560396367602935
Energy: 0.9830013941395385
Energy: 0.956039636760767
Energy: 0.9003314800824106
Energy: 0.9051572467402947
Energy: 0.9003314800828842
Energy: 0.905157246741242
Energy: 0.9003314800828842
Energy: 0.905157246741242
Energy: 0.9236578226414106
Energy: 0.9990594533655931
Energy: 0.9236578226399896
Energy: 0.9990594533655931
Energy: 0.9236578226414106
Energy: 0.9990594533655931
Energy: 0.9922607609074702
Energy: 0.9200375276349279
Energy: 0.9922607609069964
Energy: 0.9200375276339805
Energy: 0.9922607609069964
Energy: 0.9200375276354015
Energy: 0.8513360287733336
Energy: 0.9099342506022471
Energy: 0.851336028772386
Energy: 0.9099342506017735
Energy: 0.8513360287738072
Energy: 0.9099342506008261
Energy: 0.9234967882850454
Energy: 0.9454896918401774
Energy: 0.9234967882845718
Energy: 0.945489691840651
Energy: 0.9234967882845718
Energy: 0.945489691840651
Energy: 0.9297497005830897
Energy: 0.9040024916966133
Energy: 0.929749700589247
Energy: 0.9040024916966133
Energy: 0.9297497005830897
Energy: 0.9040024916966133
Energy: 0.8572774580404146
Energy: 0.909713287756906
Energy: 0.8572774580380463
Energy: 0.909713287767283
Energy: 0.8572774580432564
Energy: 0.9097132877606949
Energy: 0.9240345471846594
Energy: 0.9120548491935642
Energy: 0.9240345471827649
Energy: 0.9120548491935642
Energy: 0.9240345471837123
Energy: 0.9120548491930905
Energy: 0.8981673647093754
Energy: 0.9055513593408295
Energy: 0.8981673647107963
Energy: 0.9055513593408295
Energy: 0.8981673647079544
Energy: 0.9055513593304093
Energy: 1.0409753268876254
Energy: 1.016816308362547
Energy: 1.0409753268876254
Energy: 1.016816308362547
Energy: 1.040975326887152
Energy: 1.016816308362547
Energy: 0.9606411975426598
Energy: 0.8852846356522297
Energy: 0.960641197543607
Energy: 0.885284635651756
Energy: 0.9606411975431333
Energy: 0.8852846356522297
Energy: 0.8271379736301475
Energy: 0.9062590994565206
Energy: 0.827137973629674
Energy: 0.9062590994475216
Energy: 0.8271379736306212
Energy: 0.906259099458889

minimum gb energy = 0.827137973629674 eV
minimum distance =  2.32357911124851 Angstroms
sigma value = 81


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

Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.7783184243562243
Energy: 0.025398706733888745
Energy: 0.7783184243562243
Energy: 0.025398706733888745
Energy: 0.7783184243562243
Energy: 0.02539870673040817
Energy: 0.7783170875565987
Energy: 0.026232846922327642
Energy: 0.7783170875565987
Energy: 0.026232846922327642
Energy: 0.7783170875565987
Energy: 0.026232846922327642
Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.7783184243544841
Energy: 0.025398706739109603
Energy: 0.7783184243562243
Energy: 0.025398706739109603
Energy: 0.7783184243544841
Energy: 0.025398706739109603
Energy: 0.7783170875548584
Energy: 0.026232846906665074
Energy: 0.7783170875548584
Energy: 0.02623284691014564
Energy: 0.7783170875548584
Energy: 0.026232846906665074
Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.7783184243562243
Energy: 0.02539870675303188
Energy: 0.7783184243579648
Energy: 0.02539870675303188
Energy: 0.7783184243562243
Energy: 0.02539870675303188
Energy: 0.7783170875548584
Energy: 0.026232846887521942
Energy: 0.7783170875548584
Energy: 0.026232846889262224
Energy: 0.7783170875548584
Energy: 0.026232846885781654
Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.024301075385932118
Energy: 0.07516929246272282
Energy: 0.024301075385932118
Energy: 0.07516929246272282

minimum gb energy = 0.024301075385932118 eV
minimum distance =  2.5491901219154 Angstroms
sigma value = 3


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

Energy: 0.7973003781160609
Energy: 0.8373250001190012
Energy: 0.7973003781144986
Energy: 0.8373250001195222
Energy: 0.7973003781139778
Energy: 0.8373250001184805
Energy: 0.6689424200012295
Energy: 0.7351431639589651
Energy: 0.6689424200017501
Energy: 0.7351431639589651
Energy: 0.6689424200017501
Energy: 0.7351431639584443
Energy: 0.7823570879817767
Energy: 0.7350708006910368
Energy: 0.782357087980735
Energy: 0.735070800690516
Energy: 0.7823570879812559
Energy: 0.7350708006910368
Energy: 0.7300712322822593
Energy: 0.7828739000710588
Energy: 0.7300712322812177
Energy: 0.7828739000710588
Energy: 0.7300712322812177
Energy: 0.7828739000715796
Energy: 0.6965471777130162
Energy: 0.7332829328201009
Energy: 0.6965471777203072
Energy: 0.7332829328190593
Energy: 0.6965471777119746
Energy: 0.7332829328206216
Energy: 0.7868951783302446
Energy: 0.743908102593586
Energy: 0.7868951783312863
Energy: 0.7439081025956692
Energy: 0.786895178331807
Energy: 0.7439081025951484
Energy: 0.7467369289885315
Energy: 0.7728875645705092
Energy: 0.7467369289885315
Energy: 0.7728875645694677
Energy: 0.7467369289874899
Energy: 0.7728875645705092
Energy: 0.6939718691513083
Energy: 0.7314672273687776
Energy: 0.6939718691507873
Energy: 0.7314672273692983
Energy: 0.6939718691518291
Energy: 0.7314672273687776
Energy: 0.8010191002555087
Energy: 0.7639925897555854
Energy: 0.8010191002555087
Energy: 0.7639925897561061
Energy: 0.801019100254988
Energy: 0.7639925897555854
Energy: 0.7478437771760615
Energy: 0.7543642715145992
Energy: 0.7478437771755407
Energy: 0.7543642715151199
Energy: 0.747843777177103
Energy: 0.7543642715161616
Energy: 0.7384568513015376
Energy: 0.7303726503479472
Energy: 0.7384568512994545
Energy: 0.7303726503479472
Energy: 0.738456851300496
Energy: 0.7303726503484681
Energy: 0.8169355360946476
Energy: 0.8089440285663271
Energy: 0.8169355360946476
Energy: 0.8089440285642441
Energy: 0.8169355360936064
Energy: 0.8089440285632025
Energy: 0.7312716470438033
Energy: 0.7114323511585682
Energy: 0.7312716470432824
Energy: 0.7114323511611722
Energy: 0.7312716470443241
Energy: 0.7114323511580474
Energy: 0.7647551874206446
Energy: 0.6981423806313923
Energy: 0.7647551874190822
Energy: 0.6981423806313923
Energy: 0.7647551874227277
Energy: 0.6981423806313923
Energy: 0.7607099211088035
Energy: 0.7900315496555741
Energy: 0.7607099211082827
Energy: 0.7900315496560948
Energy: 0.7607099211088035
Energy: 0.7900315496555741
Energy: 0.731992979071849
Energy: 0.7001571594263015
Energy: 0.731992979071849
Energy: 0.7001571594273432
Energy: 0.731992979071849
Energy: 0.7001571594257808
Energy: 0.7767260619905036
Energy: 0.8119105987248975
Energy: 0.7767260619915453
Energy: 0.81191059872646
Energy: 0.7767260619910243
Energy: 0.8119105987284956
Energy: 0.7883944493856448
Energy: 0.7503022815184502
Energy: 0.7883944493861659
Energy: 0.750302281518971
Energy: 0.7883944493861659
Energy: 0.7503022815184502
Energy: 0.7332253757463498
Energy: 0.6824378564654254
Energy: 0.7332253757447875
Energy: 0.6824378564539682
Energy: 0.733225375745829
Energy: 0.6824378564705859
Energy: 0.7541131950178831
Energy: 0.8424364888828065
Energy: 0.7541131950168416
Energy: 0.8424364888822858
Energy: 0.7541131950173623
Energy: 0.8424364888828065
Energy: 0.7971399053176671
Energy: 0.5645139580937383
Energy: 0.7971399053171464
Energy: 0.5645139580953007
Energy: 0.7971399053171464
Energy: 0.5645139580926968
Energy: 0.699575396870822
Energy: 0.7387058802298597
Energy: 0.6995753968703012
Energy: 0.7387058802298597
Energy: 0.6995753968703012
Energy: 0.7387058802309013
Energy: 0.7850187420053781
Energy: 0.7011849653962353
Energy: 0.7850187420027742
Energy: 0.7011849653951937
Energy: 0.7850187420058988
Energy: 0.7011849653957145
Energy: 0.785701664245116
Energy: 0.5652514605495427
Energy: 0.785701664245116
Energy: 0.5652514605490219
Energy: 0.7857016642435537
Energy: 0.5652514605495427
Energy: 0.7321433825239113
Energy: 0.767853830663936
Energy: 0.7321433825239113
Energy: 0.767853830663936
Energy: 0.7321433825239113
Energy: 0.767853830663936
Energy: 0.7873560534476911
Energy: 0.7315458127082689
Energy: 0.7873560534482118
Energy: 0.7315458127082689
Energy: 0.7873560534482118
Energy: 0.7315458127082689
Energy: 0.8873505970508184
Energy: 0.6838175130377894
Energy: 0.88735059705186
Energy: 0.6838175130206035
Energy: 0.8873505970497767
Energy: 0.6838175130185203
Energy: 0.747799856926655
Energy: 0.8005434296252363
Energy: 0.7477998569261343
Energy: 0.800543429625757
Energy: 0.7477998569271758
Energy: 0.800543429625757
Energy: 0.7826535544581632
Energy: 0.73206907633364
Energy: 0.7826535544571216
Energy: 0.73206907633364
Energy: 0.7826535544576423
Energy: 0.73206907633364
Energy: 0.8867589482922491
Energy: 0.7334145571091607
Energy: 0.8867589482922491
Energy: 0.7334145569191687
Energy: 0.88675894829277
Energy: 0.733414556892088
Energy: 0.7696929785003411
Energy: 0.8032792882550857
Energy: 0.7696929785013829
Energy: 0.8032792882556065
Energy: 0.7696929785013829
Energy: 0.8032792882550857
Energy: 0.7531750088135974
Energy: 0.7426754609947676
Energy: 0.7531750088140708
Energy: 0.7426754609947676
Energy: 0.7531750088140708
Energy: 0.7426754609952883
Energy: 0.7815841853526887
Energy: 0.7946811915403631
Energy: 0.7815841853532094
Energy: 0.7946811915403631
Energy: 0.7815841853526887
Energy: 0.7946811915408839

minimum gb energy = 0.5645139580926968 eV
minimum distance =  2.38742658570878 Angstroms
sigma value = 67


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

Energy: 1.032216645895865
Energy: 0.9891669573150957
Energy: 1.032216645898091
Energy: 0.9891669573150957
Energy: 1.0322166458966069
Energy: 0.9891669573143537
Energy: 0.9837032651266412
Energy: 0.9965419762270573
Energy: 0.9837032651325776
Energy: 0.9965419762263154
Energy: 0.983703265137772
Energy: 0.9965419762277995
Energy: 1.0323838249052513
Energy: 0.9960389957725035
Energy: 1.0323838249030248
Energy: 0.9960389957717614
Energy: 1.032383824901541
Energy: 0.9960389957717614
Energy: 1.0058690165421658
Energy: 1.0439801129622666
Energy: 1.0058690165421658
Energy: 1.0439801129607824
Energy: 1.0058690165421658
Energy: 1.0439801129622666
Energy: 0.9784217848378564
Energy: 0.9887735667374229
Energy: 0.9784217848393406
Energy: 0.9887735667374229
Energy: 0.9784217848393406
Energy: 0.9887735667374229
Energy: 1.0374838856714943
Energy: 0.9868367584603159
Energy: 1.0374838856714943
Energy: 0.9868367584610579
Energy: 1.0374838856729784
Energy: 0.9868367584610579
Energy: 0.9915486410874808
Energy: 1.012035058862973
Energy: 0.9915486410874808
Energy: 1.012035058863715
Energy: 0.9915486410859967
Energy: 1.012035058862973
Energy: 1.031788381516922
Energy: 0.9922901667242648
Energy: 1.031788381516922
Energy: 0.9922901667250068
Energy: 1.03178838151618
Energy: 0.9922901667242648
Energy: 1.0632023977897664
Energy: 1.069793764128633
Energy: 1.0632023977890244
Energy: 1.069793764128633
Energy: 1.0632023977890244
Energy: 1.0697937641301174
Energy: 0.9813464353747079
Energy: 0.9646997354751632
Energy: 0.9813464353739659
Energy: 0.9646997354759053
Energy: 0.9813464353739659
Energy: 0.9646997354759053
Energy: 1.0310915186661767
Energy: 0.9948835548370578
Energy: 1.0310915186661767
Energy: 0.9948835548370578
Energy: 1.0310915186669187
Energy: 0.9948835548377998
Energy: 0.9808624690283293
Energy: 1.0219156103800435
Energy: 0.9808624690275873
Energy: 1.0219156103800435
Energy: 0.9808624690275873
Energy: 1.0219156103793015
Energy: 0.9803910809668138
Energy: 0.9777383344604413
Energy: 0.9803910809675559
Energy: 0.9777383344604413
Energy: 0.9803910809675559
Energy: 0.9777383344611833
Energy: 1.01659968760044
Energy: 0.9794732444551921
Energy: 1.01659968760044
Energy: 0.9794732444499978
Energy: 1.01659968760044
Energy: 0.9794732444529661
Energy: 0.9833129423274949
Energy: 0.9827171836631572
Energy: 0.983312942328237
Energy: 0.9827171836631572
Energy: 0.983312942328237
Energy: 0.9827171836624152
Energy: 1.0021735180505178
Energy: 0.9944573353977615
Energy: 1.0021735180505178
Energy: 0.9944573353985035
Energy: 1.0021735180490339
Energy: 0.9944573353992455
Energy: 1.0564584328786393
Energy: 0.9996976575733852
Energy: 1.0564584328786393
Energy: 0.9996976575733852
Energy: 1.056458432877897
Energy: 0.9996976575726433
Energy: 0.986723699044367
Energy: 0.9727700643797142
Energy: 0.986723699044367
Energy: 0.9727700643804564
Energy: 0.9867236990451091
Energy: 0.9727700643804564
Energy: 0.991364673525526
Energy: 1.034901328918227
Energy: 0.991364673524784
Energy: 1.034901328918227
Energy: 0.9913646735262682
Energy: 1.034901328918227
Energy: 0.96751922449843
Energy: 0.9970104075117028
Energy: 0.96751922449843
Energy: 0.9970104075109608
Energy: 0.96751922449843
Energy: 0.9970104075109608
Energy: 1.0261671458399668
Energy: 0.987348808572923
Energy: 1.0261671458399668
Energy: 0.987348808572923
Energy: 1.0261671458392245
Energy: 0.9873488085735975
Energy: 1.0020709145337463
Energy: 1.0718456207958091
Energy: 1.00207091453152
Energy: 1.0718456207965514
Energy: 1.002070914532262
Energy: 1.0718456207958091
Energy: 1.0223396305896282
Energy: 0.9952780490996341
Energy: 1.0223396305888859
Energy: 0.9952780490996341
Energy: 1.02233963059037
Energy: 0.9952780490996341

minimum gb energy = 0.9646997354751632 eV
minimum distance =  2.40241253981891 Angstroms
sigma value = 33


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

Energy: 1.1767748041412869
Energy: 1.1823467743233296
Energy: 1.1767748041417578
Energy: 1.1823467743223883
Energy: 1.1767748041403454
Energy: 1.1823467743233296
Energy: 1.1477323732585738
Energy: 1.1260460416175775
Energy: 1.1477323732571618
Energy: 1.1260460416171065
Energy: 1.147732373258103
Energy: 1.126046041616636
Energy: 1.1832153362793396
Energy: 1.1395473040386905
Energy: 1.183215336280281
Energy: 1.1395473040382198
Energy: 1.1832153362798106
Energy: 1.1395473040382198
Energy: 1.1522595177188875
Energy: 1.235616349553529
Energy: 1.1522595177179462
Energy: 1.2356163495521169
Energy: 1.1522595177188875
Energy: 1.2356163495521169
Energy: 1.1714953112413167
Energy: 1.1244105920182093
Energy: 1.1714953112413167
Energy: 1.1244105920196215
Energy: 1.171495311240846
Energy: 1.12441059201868
Energy: 1.2276656195153102
Energy: 1.250696850192488
Energy: 1.227665619513898
Energy: 1.2506968501929587
Energy: 1.227665619515781
Energy: 1.250696850192488
Energy: 1.1496540064258114
Energy: 1.1945027471713303
Energy: 1.14965400642487
Energy: 1.1945027471708596
Energy: 1.1496540064253407
Energy: 1.1945027471708596
Energy: 1.220900148678979
Energy: 1.1643175075582985
Energy: 1.2209001486799205
Energy: 1.164317507557357
Energy: 1.2209001486794497
Energy: 1.1643175075582985
Energy: 1.1425580177406662
Energy: 1.1985984089899884
Energy: 1.1425580177401955
Energy: 1.19859840899093
Energy: 1.142558017741137
Energy: 1.198598408990459
Energy: 1.1482394577669957
Energy: 1.1737007505199861
Energy: 1.1482394577684076
Energy: 1.1737007505204569
Energy: 1.1482394577679371
Energy: 1.1737007505204569
Energy: 1.2033221280313924
Energy: 1.1240718040614543
Energy: 1.203322128030451
Energy: 1.1240718040614543
Energy: 1.2033221280299802
Energy: 1.124071804061925
Energy: 1.145136720729617
Energy: 1.1603325235716926
Energy: 1.1451367207305585
Energy: 1.1603325235712219
Energy: 1.1451367207286756
Energy: 1.1603325235712219
Energy: 1.1472818811775423
Energy: 1.149774283698449
Energy: 1.1472818811789545
Energy: 1.149774283698449
Energy: 1.1472818811751884
Energy: 1.1497742836979785
Energy: 1.143976247415461
Energy: 1.125919632325879
Energy: 1.143976247415461
Energy: 1.1259196323254086
Energy: 1.1439762474164024
Energy: 1.1259196323254086
Energy: 1.1448545390474518
Energy: 1.161968933847044
Energy: 1.1448545390479226
Energy: 1.161968933847044
Energy: 1.1448545390460396
Energy: 1.161968933846573
Energy: 1.1504359928047154
Energy: 1.1898387826902543
Energy: 1.150435992803774
Energy: 1.189838782690725
Energy: 1.1504359928047154
Energy: 1.1898387826911958
Energy: 1.1666418348922554
Energy: 1.1399106254923157
Energy: 1.1666418348908858
Energy: 1.1399106254923157
Energy: 1.166641834890415
Energy: 1.139910625491845
Energy: 1.196909565110323
Energy: 1.2425162103454563
Energy: 1.1969095651093813
Energy: 1.2425162103449856
Energy: 1.1969095651117354
Energy: 1.2425162103454563
Energy: 1.1524717582946638
Energy: 1.215934900600015
Energy: 1.1524717582946638
Energy: 1.2159349005995441
Energy: 1.1524717582951345
Energy: 1.215934900600015
Energy: 1.2101408714782393
Energy: 1.1256968915242316
Energy: 1.21014087147871
Energy: 1.1256968915237608
Energy: 1.2101408714768271
Energy: 1.1256968915242316
Energy: 1.1482444219050056
Energy: 1.2026727755952835
Energy: 1.148244421904535
Energy: 1.2026727755948128
Energy: 1.1482444219064178
Energy: 1.2026727755957545
Energy: 1.1432899130347398
Energy: 1.1551267800653093
Energy: 1.143289913036152
Energy: 1.1551267800653093
Energy: 1.143289913035681
Energy: 1.1551267800653093
Energy: 1.2384363841127506
Energy: 1.1241462452388398
Energy: 1.2384363841108674
Energy: 1.1241462452388398
Energy: 1.2384363841108674
Energy: 1.1241462452388398
Energy: 1.149718555336367
Energy: 1.1517933756892795
Energy: 1.1497185553358962
Energy: 1.1517933756897503
Energy: 1.1497185553358962
Energy: 1.1517933756892795
Energy: 1.1459136063716637
Energy: 1.1523654175786138
Energy: 1.1459136063721345
Energy: 1.1523654175786138
Energy: 1.1459136063721345
Energy: 1.1523654175786138
Energy: 1.2042330530153982
Energy: 1.1577000301594111
Energy: 1.2042330530135155
Energy: 1.1577000301594111
Energy: 1.2042330530177523
Energy: 1.1577000301594111
Energy: 1.1492901016921855
Energy: 1.155359043635683
Energy: 1.1492901016917147
Energy: 1.1553590436342707
Energy: 1.1492901016917147
Energy: 1.1553590436347416
Energy: 1.1311929778945764
Energy: 1.2605085794942472
Energy: 1.1311929778959886
Energy: 1.2605085794810664
Energy: 1.1311929778945764
Energy: 1.2605085794848323
Energy: 1.2198789564587937
Energy: 1.1243152622419987
Energy: 1.2198789564573818
Energy: 1.1243152622424695
Energy: 1.2198789564583232
Energy: 1.1243152622415278
Energy: 1.1515839005903774
Energy: 1.1912423973839958
Energy: 1.151583900588965
Energy: 1.1912423973825834
Energy: 1.1515839005903774
Energy: 1.1912423973821127
Energy: 1.2433760249868042
Energy: 1.2432907613645707
Energy: 1.243376024987275
Energy: 1.2432907613645707
Energy: 1.2433760249863335
Energy: 1.2432907613645707
Energy: 1.1723806322715309
Energy: 1.1257651939387394
Energy: 1.1723806322696477
Energy: 1.1257651939392104
Energy: 1.1723806322696477
Energy: 1.1257651939382687
Energy: 1.1528984574797718
Energy: 1.191103880187423
Energy: 1.1528984574788306
Energy: 1.1911038801893061
Energy: 1.1528984574802426
Energy: 1.191103880187423
Energy: 1.1496521704931566
Energy: 1.139839225535051
Energy: 1.1496521704917444
Energy: 1.139839225535051
Energy: 1.1496521704922154
Energy: 1.139839225535051
Energy: 1.1517530166595082
Energy: 1.1403166520906034
Energy: 1.1517530166613914
Energy: 1.1403166520901324
Energy: 1.1517530166566838
Energy: 1.1403166520896617
Energy: 1.1476724128096911
Energy: 1.1381522453944781
Energy: 1.1476724128125158
Energy: 1.1381522453944781
Energy: 1.1476724128153402
Energy: 1.1381522453944781
Energy: 1.148735127403794
Energy: 1.1573111878988298
Energy: 1.1487351274033233
Energy: 1.1573111878997713
Energy: 1.1487351274019109
Energy: 1.1573111878993005

minimum gb energy = 1.1240718040614543 eV
minimum distance =  2.36543874742968 Angstroms
sigma value = 41


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

Energy: 1.425296562221443
Energy: 1.4032929499836508
Energy: 1.4252965622227285
Energy: 1.4032929499836508
Energy: 1.425296562221443
Energy: 1.4032929499836508
Energy: 1.4305854022680788
Energy: 1.3894223955690912
Energy: 1.4305854022680788
Energy: 1.3894223955678058
Energy: 1.4305854022680788
Energy: 1.3894223955690912
Energy: 1.5128870880665453
Energy: 1.3863787019984406
Energy: 1.5128870880665453
Energy: 1.3863787019984406
Energy: 1.5128870880665453
Energy: 1.3863787019984406
Energy: 1.3975884199766653
Energy: 1.5025079406893755
Energy: 1.3975884199766653
Energy: 1.5025079406880901
Energy: 1.3975884199766653
Energy: 1.5025079406880901
Energy: 1.503380319983056
Energy: 1.4064582371574625
Energy: 1.503380319983056
Energy: 1.4064582371574625
Energy: 1.503380319983056
Energy: 1.4064582371574625
Energy: 1.5334426897290392
Energy: 1.5083141825221076
Energy: 1.5334426897303246
Energy: 1.5083141825221076
Energy: 1.5334426897290392
Energy: 1.5083141825208222
Energy: 1.4103673684793352
Energy: 1.4208590086636876
Energy: 1.4103673684780498
Energy: 1.4208590086636876
Energy: 1.4103673684780498
Energy: 1.4208590086636876
Energy: 1.4546473718101618
Energy: 1.3789401560919923
Energy: 1.4546473718088766
Energy: 1.3789401560919923
Energy: 1.4546473718101618
Energy: 1.3789401560919923
Energy: 1.442858950464715
Energy: 1.4398562649499675
Energy: 1.442858950466
Energy: 1.4398562649499675
Energy: 1.442858950466
Energy: 1.4398562649499675
Energy: 1.3956615304359943
Energy: 1.4393881045044483
Energy: 1.3956615304359943
Energy: 1.4393881045044483
Energy: 1.3956615304372795
Energy: 1.4393881045044483
Energy: 1.4309026597762966
Energy: 1.3864416789248137
Energy: 1.4309026597750114
Energy: 1.3864416789248137
Energy: 1.4309026597750114
Energy: 1.3864416789248137
Energy: 1.457404434753718
Energy: 1.378760394489847
Energy: 1.457404434753718
Energy: 1.3787603944911324
Energy: 1.457404434753718
Energy: 1.3787603944911324
Energy: 1.4217258806571862
Energy: 1.501390890455302
Energy: 1.4217258806584716
Energy: 1.501390890455302
Energy: 1.4217258806584716
Energy: 1.501390890455302
Energy: 1.5032354616397772
Energy: 1.3899610167817171
Energy: 1.5032354616397772
Energy: 1.3899610167817171
Energy: 1.5032354616397772
Energy: 1.3899610167817171

minimum gb energy = 1.378760394489847 eV
minimum distance =  2.37013462891266 Angstroms
sigma value = 11


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

Energy: 1.6902681189227613
Energy: 1.6935702693637085
Energy: 1.6902681189216322
Energy: 1.6935702693637085
Energy: 1.6902681189221969
Energy: 1.6935702693637085
Energy: 1.6622839337633466
Energy: 1.6188017083485622
Energy: 1.6622839337627817
Energy: 1.6188017083479975
Energy: 1.6622839337622175
Energy: 1.6188017083479975
Energy: 1.747343402734505
Energy: 1.628549384717806
Energy: 1.7473434027350696
Energy: 1.628549384717806
Energy: 1.747343402734505
Energy: 1.628549384717806
Energy: 1.632328293444992
Energy: 1.7008951282449472
Energy: 1.632328293444992
Energy: 1.700895128244383
Energy: 1.632328293444992
Energy: 1.7008951282449472
Energy: 1.7498934224849103
Energy: 1.6391756471155978
Energy: 1.749893422486604
Energy: 1.6391756471155978
Energy: 1.7498934224843454
Energy: 1.6391756471150332
Energy: 1.6259153697764122
Energy: 1.6976248320066887
Energy: 1.6259153697758475
Energy: 1.6976248320061238
Energy: 1.625915369776977
Energy: 1.6976248320061238
Energy: 1.6408789634013121
Energy: 1.7419891145444892
Energy: 1.640878963401877
Energy: 1.7419891145433597
Energy: 1.6408789634024417
Energy: 1.7419891145433597
Energy: 1.703863081521147
Energy: 1.6337645850761051
Energy: 1.7038630815205822
Energy: 1.6337645850766698
Energy: 1.703863081521147
Energy: 1.6337645850772342
Energy: 1.718612480290572
Energy: 1.6330447529535232
Energy: 1.718612480290572
Energy: 1.6330447529535232
Energy: 1.718612480290572
Energy: 1.6330447529529586
Energy: 1.6438109957879161
Energy: 1.7483004616323403
Energy: 1.6438109957879161
Energy: 1.7483004616317757
Energy: 1.6438109957879161
Energy: 1.7483004616312108
Energy: 1.6530387775047615
Energy: 1.6503773510615198
Energy: 1.6530387775047615
Energy: 1.6503773510615198
Energy: 1.6530387775047615
Energy: 1.6503773510620843
Energy: 1.6940698605099296
Energy: 1.6922386448823927
Energy: 1.6940698605104945
Energy: 1.6922386448823927
Energy: 1.694069860509365
Energy: 1.6922386448823927
Energy: 1.6333675579413924
Energy: 1.7159325505227214
Energy: 1.633367557941957
Energy: 1.7159325505227214
Energy: 1.633367557941957
Energy: 1.7159325505227214
Energy: 1.7651133343780112
Energy: 1.6295628572984329
Energy: 1.7651133343791405
Energy: 1.6295628572984329
Energy: 1.7651133343791405
Energy: 1.6295628572989975
Energy: 1.7115609601242363
Energy: 1.6613406173893956
Energy: 1.7115609601242363
Energy: 1.6613406173893956
Energy: 1.711560960124801
Energy: 1.6613406173888314
Energy: 1.6654577575864904
Energy: 1.7099418641498672
Energy: 1.6654577575859257
Energy: 1.7099418641509965
Energy: 1.6654577575859257
Energy: 1.7099418641498672
Energy: 1.7115253773340104
Energy: 1.6355963558784656
Energy: 1.711525377333446
Energy: 1.63559635587903
Energy: 1.711525377333446
Energy: 1.63559635587903
Energy: 1.6807418928920748
Energy: 1.6953313481142331
Energy: 1.6807418928932039
Energy: 1.6953313481142331
Energy: 1.6807418928920748
Energy: 1.6953313481142331
Energy: 1.6352904142379499
Energy: 1.6728213427882774
Energy: 1.6352904142385143
Energy: 1.6728213427888419
Energy: 1.6352904142385143
Energy: 1.6728213427882774
Energy: 1.7166973902724485
Energy: 1.6529635171251824
Energy: 1.7166973902730132
Energy: 1.6529635171246178
Energy: 1.7166973902696252
Energy: 1.6529635171257473
Energy: 1.6445790537710303
Energy: 1.7093900389719145
Energy: 1.6445790537710303
Energy: 1.7093900389719145
Energy: 1.6445790537710303
Energy: 1.7093900389719145
Energy: 1.6445563360749211
Energy: 1.7226063019662305
Energy: 1.6445563360749211
Energy: 1.7226063019656657
Energy: 1.6445563360754858
Energy: 1.7226063019656657
Energy: 1.7381075349270971
Energy: 1.6294317551006288
Energy: 1.7381075349270971
Energy: 1.6294317551006288
Energy: 1.7381075349265325
Energy: 1.6294317551006288
Energy: 1.7250738915687274
Energy: 1.6188320028354655
Energy: 1.7250738915692918
Energy: 1.6188320028354655
Energy: 1.7250738915687274
Energy: 1.6188320028354655
Energy: 1.6450691218172935
Energy: 1.7211184133713633
Energy: 1.6450691218172935
Energy: 1.7211184133724926
Energy: 1.6450691218167288
Energy: 1.7211184133713633
Energy: 1.7195150037039955
Energy: 1.655305419532755
Energy: 1.7195150037045601
Energy: 1.655305419532755
Energy: 1.7195150037039955
Energy: 1.655305419532755
Energy: 1.6357693729314449
Energy: 1.7672020590989614
Energy: 1.6357693729314449
Energy: 1.7672020591000905
Energy: 1.6357693729320095
Energy: 1.7672020590995259
Energy: 1.6278485795967252
Energy: 1.6984720799628426
Energy: 1.6278485795961606
Energy: 1.6984720799628426
Energy: 1.6278485795961606
Energy: 1.6984720799628426
Energy: 1.7138937337162674
Energy: 1.6531044706724654
Energy: 1.7138937337168318
Energy: 1.6531044706724654
Energy: 1.7138937337157027
Energy: 1.6531044706724654
Energy: 1.6712725693915826
Energy: 1.6300098575709685
Energy: 1.6712725693915826
Energy: 1.6300098575709685
Energy: 1.6712725693915826
Energy: 1.6300098575715327
Energy: 1.6373245408265105
Energy: 1.7394281540557661
Energy: 1.6373245408265105
Energy: 1.739428154055202
Energy: 1.6373245408259458
Energy: 1.7394281540557661

minimum gb energy = 1.6188017083479975 eV
minimum distance =  2.32499599137042 Angstroms
sigma value = 57


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

Energy: 1.7298812989238623
Energy: 1.9044537321785089
Energy: 1.7298812989238623
Energy: 1.9044537321785089
Energy: 1.7298812989238623
Energy: 1.9044537321785089
Energy: 1.7253204810597185
Energy: 1.7403708140529441
Energy: 1.7253204810597185
Energy: 1.740370814053949
Energy: 1.7253204810587135
Energy: 1.7403708140519396
Energy: 1.8759909236817471
Energy: 1.7424302802660223
Energy: 1.875990923682752
Energy: 1.7424302802650176
Energy: 1.8759909236837566
Energy: 1.7424302802660223
Energy: 1.7129576886869384
Energy: 1.827827001427922
Energy: 1.7129576886859332
Energy: 1.8278270014259124
Energy: 1.7129576886859332
Energy: 1.827827001423903
Energy: 1.8758279444060475
Energy: 1.742462492456047
Energy: 1.8758279444070525
Energy: 1.742462492456047
Energy: 1.8758279444050427
Energy: 1.742462492456047
Energy: 1.725259811225658
Energy: 1.739550121437855
Energy: 1.725259811225658
Energy: 1.7395501214368505
Energy: 1.725259811225658
Energy: 1.7395501214368505
Energy: 1.7298812989228574
Energy: 1.9044537321795136
Energy: 1.7298812989228574
Energy: 1.9044537321795136
Energy: 1.7298812989228574
Energy: 1.9044537321785089
Energy: 1.7253204810587135
Energy: 1.7403708140519396
Energy: 1.7253204810577087
Energy: 1.7403708140529441
Energy: 1.7253204810587135
Energy: 1.7403708140519396
Energy: 1.8759909236847616
Energy: 1.7424302802690368
Energy: 1.8759909236837566
Energy: 1.7424302802690368
Energy: 1.8759909236837566
Energy: 1.7424302802690368
Energy: 1.7129576886869384
Energy: 1.9023423042960743
Energy: 1.7129576886869384
Energy: 1.9023423042960743
Energy: 1.7129576886869384
Energy: 1.9023423042970793
Energy: 1.8758279444070525
Energy: 1.742462492456047
Energy: 1.8758279444060475
Energy: 1.742462492456047
Energy: 1.8758279444060475
Energy: 1.742462492456047
Energy: 1.7252598112236488
Energy: 1.739550121437855
Energy: 1.7252598112236488
Energy: 1.739550121437855
Energy: 1.7252598112236488
Energy: 1.739550121437855
Energy: 1.7298812989228574
Energy: 1.9044537321785089
Energy: 1.7298812989228574
Energy: 1.9044537321785089
Energy: 1.7298812989238623
Energy: 1.904453732177504
Energy: 1.7253204810597185
Energy: 1.7403708140529441
Energy: 1.7253204810597185
Energy: 1.7403708140529441
Energy: 1.7253204810597185
Energy: 1.7403708140529441
Energy: 1.8759909236847616
Energy: 1.7424302802650176
Energy: 1.875990923682752
Energy: 1.7424302802650176
Energy: 1.8759909236837566
Energy: 1.7424302802650176
Energy: 1.7129576886859332
Energy: 1.9023423042960743
Energy: 1.7129576886869384
Energy: 1.9023423042960743
Energy: 1.7129576886869384
Energy: 1.9023423042980838
Energy: 1.8758279444070525
Energy: 1.7424624924570518
Energy: 1.8758279444060475
Energy: 1.7424624924570518
Energy: 1.8758279444060475
Energy: 1.7424624924570518

minimum gb energy = 1.7129576886859332 eV
minimum distance =  2.33492863447358 Angstroms
sigma value = 9


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

Energy: 1.7949969708654128
Energy: 1.8104891218508603
Energy: 1.794996970863772
Energy: 1.81048912185004
Energy: 1.7949969708654128
Energy: 1.81048912185004
Energy: 1.8189475953285597
Energy: 1.7966147363565417
Energy: 1.8189475953302003
Energy: 1.7966147363565417
Energy: 1.8189475953285597
Energy: 1.7966147363565417
Energy: 1.8655743476550406
Energy: 1.7735175511087233
Energy: 1.8655743476558608
Energy: 1.7735175511095438
Energy: 1.8655743476558608
Energy: 1.7735175511095438
Energy: 1.7222000683680083
Energy: 1.915320786533634
Energy: 1.7222000683688286
Energy: 1.9153207865344544
Energy: 1.7222000683680083
Energy: 1.9153207865344544
Energy: 1.8074298297095528
Energy: 1.763920855720398
Energy: 1.8074298297120142
Energy: 1.7639208557195776
Energy: 1.8074298297095528
Energy: 1.763920855720398
Energy: 1.8461786666264652
Energy: 1.7457924564386507
Energy: 1.8461786666281057
Energy: 1.745792456439471
Energy: 1.8461786666289262
Energy: 1.745792456439471
Energy: 1.7184452819341465
Energy: 1.8628192791253035
Energy: 1.7184452819341465
Energy: 1.8628192791228422
Energy: 1.7184452819349667
Energy: 1.8628192791228422
Energy: 1.7142282202996912
Energy: 1.821518333897754
Energy: 1.7142282202996912
Energy: 1.8215183338969339
Energy: 1.7142282202996912
Energy: 1.8215183338961136
Energy: 1.9168581945546856
Energy: 1.764198291958567
Energy: 1.9168581945505838
Energy: 1.764198291958567
Energy: 1.9168581945538654
Energy: 1.7641982919593877
Energy: 1.7222906252472394
Energy: 1.840574195241814
Energy: 1.7222906252480596
Energy: 1.840574195241814
Energy: 1.7222906252472394
Energy: 1.840574195241814
Energy: 1.7647501438847162
Energy: 1.820896861387295
Energy: 1.7647501438830755
Energy: 1.820896861387295
Energy: 1.764750143883896
Energy: 1.8208968613881156
Energy: 1.8840511497567345
Energy: 1.745892102173495
Energy: 1.8840511497567345
Energy: 1.7458921021726748
Energy: 1.8840511497583754
Energy: 1.7458921021726748
Energy: 1.7158357648142584
Energy: 1.8839154470733586
Energy: 1.7158357648142584
Energy: 1.883915447071718
Energy: 1.7158357648142584
Energy: 1.8839154470725383
Energy: 1.8062306610084427
Energy: 1.8556345360714295
Energy: 1.8062306610084427
Energy: 1.8556345360722497
Energy: 1.806230661007622
Energy: 1.8556345360714295
Energy: 1.9237808508478493
Energy: 1.7425603475613642
Energy: 1.9237808508478493
Energy: 1.7425603475613642
Energy: 1.9237808508478493
Energy: 1.7425603475621845
Energy: 1.7905952202646984
Energy: 1.8853836135516906
Energy: 1.7905952202638777
Energy: 1.885383613552511
Energy: 1.7905952202646984
Energy: 1.885383613552511
Energy: 1.7914090455422853
Energy: 1.8948163890424072
Energy: 1.7914090455439262
Energy: 1.894816389043228
Energy: 1.7914090455439262
Energy: 1.894816389043228
Energy: 2.0229625046316873
Energy: 1.744804960922221
Energy: 2.0229625046390707
Energy: 1.744804960922221
Energy: 2.0229625046390707
Energy: 1.744804960922221
Energy: 1.7409200149067643
Energy: 1.8649003527500325
Energy: 1.7409200149084052
Energy: 1.8649003527500325
Energy: 1.7409200149084052
Energy: 1.8649003527500325
Energy: 1.7746617719057112
Energy: 1.7928472761142946
Energy: 1.7746617719057112
Energy: 1.792847276113474
Energy: 1.7746617719065314
Energy: 1.792847276113474
Energy: 1.8788713253048372
Energy: 1.7520619574414213
Energy: 1.8788713253048372
Energy: 1.7520619574406007
Energy: 1.878871325305658
Energy: 1.7520619574414213

minimum gb energy = 1.7142282202996912 eV
minimum distance =  2.3370752753695 Angstroms
sigma value = 27


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

Energy: 1.8486807820266988
Energy: 1.775880212745134
Energy: 1.8486807820260072
Energy: 1.7758802127472086
Energy: 1.8486807820266988
Energy: 1.7758802127472086
Energy: 1.8709975996796067
Energy: 1.7588265482253107
Energy: 1.870997599678915
Energy: 1.7588265482253107
Energy: 1.8709975996775319
Energy: 1.7588265482253107
Energy: 1.8306983143494402
Energy: 1.7614289942981554
Energy: 1.830698314348057
Energy: 1.761428994297464
Energy: 1.8306983143494402
Energy: 1.761428994297464
Energy: 1.788568737368475
Energy: 1.7892483824189476
Energy: 1.78856873736156
Energy: 1.7892483824189476
Energy: 1.7885687373691668
Energy: 1.7892483824189476
Energy: 1.7574801428534745
Energy: 1.8022054574138957
Energy: 1.7574801428548577
Energy: 1.8022054574145874
Energy: 1.757480142855549
Energy: 1.8022054574138957
Energy: 1.8192321618700102
Energy: 1.84134066899518
Energy: 1.8192321618700102
Energy: 1.8413406689944887
Energy: 1.819232161870702
Energy: 1.84134066899518
Energy: 1.7681881084546909
Energy: 1.8734530693099058
Energy: 1.7681881084539992
Energy: 1.8734530693099058
Energy: 1.7681881084539992
Energy: 1.8734530693099058
Energy: 1.77951239898577
Energy: 1.8292513965881685
Energy: 1.77951239898577
Energy: 1.82925139658886
Energy: 1.7795123989850787
Energy: 1.8292513965881685
Energy: 1.7874537261705365
Energy: 1.7602738584574888
Energy: 1.7874537261705365
Energy: 1.7602738584574888
Energy: 1.7874537261712278
Energy: 1.7602738584574888
Energy: 1.7601273802995956
Energy: 1.7631500662674693
Energy: 1.7601273803009785
Energy: 1.7631500662674693
Energy: 1.7601273803009785
Energy: 1.7631500662674693
Energy: 1.7719042503432743
Energy: 1.7803865319845327
Energy: 1.7719042503474236
Energy: 1.7803865319852243
Energy: 1.7719042503446574
Energy: 1.7803865319845327
Energy: 1.8562565117382128
Energy: 1.7601585290146364
Energy: 1.8562565117395962
Energy: 1.760158529013253
Energy: 1.8562565117382128
Energy: 1.7601585290139448
Energy: 1.831563134762717
Energy: 1.7809894336275023
Energy: 1.8315631347592594
Energy: 1.7809894336281935
Energy: 1.8315631347613337
Energy: 1.7809894336275023
Energy: 1.7691860052528199
Energy: 1.807069481310025
Energy: 1.7691860052528199
Energy: 1.807069481309333
Energy: 1.7691860052528199
Energy: 1.8070694813107162
Energy: 1.808792441726034
Energy: 1.8096966743630447
Energy: 1.808792441726034
Energy: 1.8096966743630447
Energy: 1.8087924417267256
Energy: 1.8096966743630447
Energy: 1.7612663681065504
Energy: 1.8037694405799967
Energy: 1.7612663681065504
Energy: 1.803769440580688
Energy: 1.761266368110008
Energy: 1.8037694405799967
Energy: 1.8006595965865904
Energy: 1.8337298845309222
Energy: 1.8006595965879733
Energy: 1.8337298845309222
Energy: 1.8006595965879733
Energy: 1.8337298845309222
Energy: 1.7818052819993193
Energy: 1.7616469922858262
Energy: 1.7818052819986276
Energy: 1.7616469922865179
Energy: 1.7818052819986276
Energy: 1.7616469922865179
Energy: 1.7984678410303792
Energy: 1.7593960435955318
Energy: 1.7984678410303792
Energy: 1.7593960435955318
Energy: 1.7984678410310706
Energy: 1.7593960435955318
Energy: 1.848680782028082
Energy: 1.7758802127644966
Energy: 1.8486807820273907
Energy: 1.7758802127707205
Energy: 1.8486807820287736
Energy: 1.7758802127617308
Energy: 1.8709975996796067
Energy: 1.7588265482266936
Energy: 1.8709975996802979
Energy: 1.7588265482273855
Energy: 1.8709975996782238
Energy: 1.7588265482273855
Energy: 1.8306983143494402
Energy: 1.7614289942933146
Energy: 1.8306983143501316
Energy: 1.7614289942933146
Energy: 1.830698314348057
Energy: 1.7614289942940062
Energy: 1.78856873736156
Energy: 1.789248382417565
Energy: 1.7885687373636345
Energy: 1.789248382417565
Energy: 1.788568737360868
Energy: 1.789248382417565
Energy: 1.757480142852123
Energy: 1.8022054574159703
Energy: 1.7574801428507398
Energy: 1.8022054574152786
Energy: 1.7574801428514315
Energy: 1.8022054574159703
Energy: 1.819232161870702
Energy: 1.8413406689903395
Energy: 1.8192321618700102
Energy: 1.8413406689903395
Energy: 1.819232161870702
Energy: 1.8413406689903395

minimum gb energy = 1.7574801428507398 eV
minimum distance =  2.31433706230633 Angstroms
sigma value = 19


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

Energy: 1.7941090143903566
Energy: 1.8269517907485966
Energy: 1.7941090143903566
Energy: 1.8269517907485966
Energy: 1.7941090143903566
Energy: 1.8269517907491937
Energy: 1.7456712888407355
Energy: 1.7302143995039003
Energy: 1.7456712888407355
Energy: 1.7302143995044974
Energy: 1.7456712888413326
Energy: 1.7302143995039003
Energy: 1.7668859947574043
Energy: 1.7127170427942953
Energy: 1.7668859947574043
Energy: 1.7127170427942953
Energy: 1.7668859947574043
Energy: 1.7127170427948923
Energy: 1.716246259815036
Energy: 1.7476844630140165
Energy: 1.7162462598144388
Energy: 1.7476844630146133
Energy: 1.7162462598144388
Energy: 1.7476844630140165
Energy: 1.7300121170363623
Energy: 1.7692599427613733
Energy: 1.7300121170357656
Energy: 1.7692599427613733
Energy: 1.7300121170357656
Energy: 1.7692599427613733
Energy: 1.7633420693586033
Energy: 1.7402937097635467
Energy: 1.7633420693586033
Energy: 1.7402937097641435
Energy: 1.7633420693586033
Energy: 1.7402937097641435
Energy: 1.7110422710764082
Energy: 1.7536700374040397
Energy: 1.711042271077005
Energy: 1.7536700374046366
Energy: 1.7110422710764082
Energy: 1.7536700374040397
Energy: 1.7228620947115647
Energy: 1.76427489442141
Energy: 1.7228620947109679
Energy: 1.76427489442141
Energy: 1.7228620947115647
Energy: 1.764274894420813
Energy: 1.819631121454118
Energy: 1.7107789730938467
Energy: 1.819631121454118
Energy: 1.7107789730938467
Energy: 1.819631121454118
Energy: 1.7107789730932494
Energy: 1.74428741707505
Energy: 1.7488985392463867
Energy: 1.7442874170744527
Energy: 1.7488985392463867
Energy: 1.7442874170744527
Energy: 1.7488985392463867
Energy: 1.7204019474534282
Energy: 1.8158030856505993
Energy: 1.7204019474534282
Energy: 1.8158030856517928
Energy: 1.7204019474540249
Energy: 1.8158030856505993
Energy: 1.771060174527966
Energy: 1.7135365859436933
Energy: 1.7710601745255783
Energy: 1.7135365859442901
Energy: 1.771060174527966
Energy: 1.7135365859436933
Energy: 1.7149711523578188
Energy: 1.7446092445532715
Energy: 1.7149711523554314
Energy: 1.7446092445532715
Energy: 1.7149711523566253
Energy: 1.7446092445532715
Energy: 1.7219249764781617
Energy: 1.743181616405292
Energy: 1.7219249764775648
Energy: 1.7431816164058886
Energy: 1.7219249764787585
Energy: 1.743181616405292
Energy: 1.7953322663078766
Energy: 1.709725965175549
Energy: 1.79533226630728
Energy: 1.709725965175549
Energy: 1.79533226630728
Energy: 1.709725965175549
Energy: 1.7830982340003299
Energy: 1.703970855808539
Energy: 1.783098233999733
Energy: 1.7039708558079416
Energy: 1.7830982340003299
Energy: 1.7039708558079416
Energy: 1.7181037311376002
Energy: 1.7561255735201804
Energy: 1.7181037311376002
Energy: 1.7561255735201804
Energy: 1.7181037311376002
Energy: 1.7561255735207775
Energy: 1.7767522569403202
Energy: 1.7512197172874813
Energy: 1.7767522569403202
Energy: 1.751219717288078
Energy: 1.776752256940917
Energy: 1.751219717288078
Energy: 1.7767721000441015
Energy: 1.7428647032099496
Energy: 1.7767721000435044
Energy: 1.7428647032099496
Energy: 1.7767721000441015
Energy: 1.7428647032099496
Energy: 1.714848029604279
Energy: 1.7757082601612844
Energy: 1.7148480296048758
Energy: 1.775708260160687
Energy: 1.7148480296048758
Energy: 1.775708260160687
Energy: 1.6997717297087864
Energy: 1.7926227106419081
Energy: 1.6997717297081891
Energy: 1.7926227106419081
Energy: 1.6997717297081891
Energy: 1.7926227106419081
Energy: 1.8288947662210056
Energy: 1.7005054400323936
Energy: 1.8288947662180213
Energy: 1.7005054400323936
Energy: 1.8288947662174242
Energy: 1.7005054400383623
Energy: 1.7740085070568372
Energy: 1.743272213539747
Energy: 1.7740085070568372
Energy: 1.743272213539747
Energy: 1.7740085070568372
Energy: 1.7432722135403436
Energy: 1.770262512588629
Energy: 1.8081664650118012
Energy: 1.770262512588629
Energy: 1.8081664650118012
Energy: 1.770262512588629
Energy: 1.8081664650118012
Energy: 1.7472222322351143
Energy: 1.710591037432773
Energy: 1.7472222322351143
Energy: 1.7105910374315794
Energy: 1.7472222322351143
Energy: 1.710591037432773
Energy: 1.7374613559276042
Energy: 1.7582543846844494
Energy: 1.7374613559264105
Energy: 1.7582543846844494
Energy: 1.7374613559264105
Energy: 1.758254384683852
Energy: 1.7024381483885378
Energy: 1.7878698314723958
Energy: 1.702438148387941
Energy: 1.787869831471799
Energy: 1.702438148387941
Energy: 1.787869831471799
Energy: 1.7774178690116984
Energy: 1.737971268461702
Energy: 1.7774178690111015
Energy: 1.7379712684622985
Energy: 1.7774178690122955
Energy: 1.7379712684622985
Energy: 1.7119377227480737
Energy: 1.7437838359820064
Energy: 1.7119377227486705
Energy: 1.7437838359814097
Energy: 1.7119377227486705
Energy: 1.7437838359820064

minimum gb energy = 1.6997717297081891 eV
minimum distance =  2.29997677035147 Angstroms
sigma value = 101


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

Energy: 1.7636098998994298
Energy: 1.7140310628889475
Energy: 1.7636098998994298
Energy: 1.7140310628894724
Energy: 1.763609899901004
Energy: 1.7140310628894724
Energy: 1.6865902054949637
Energy: 1.6599087041626246
Energy: 1.6865902054918156
Energy: 1.6599087041626246
Energy: 1.6865902054933897
Energy: 1.6599087041626246
Energy: 1.6877804006854353
Energy: 1.6732104452159742
Energy: 1.6877804006854353
Energy: 1.6732104452175485
Energy: 1.6877804006859602
Energy: 1.6732104452159742
Energy: 1.6354971346805658
Energy: 1.6981176572885803
Energy: 1.6354971346816158
Energy: 1.6981176572891052
Energy: 1.635497134681091
Energy: 1.6981176572885803
Energy: 1.6608435026398998
Energy: 1.6852563825498976
Energy: 1.660843502638326
Energy: 1.6852563825462246
Energy: 1.660843502638326
Energy: 1.6852563825493727
Energy: 1.6660670342539612
Energy: 1.6708973033949635
Energy: 1.6660670342534365
Energy: 1.670897303396013
Energy: 1.6660670342534365
Energy: 1.6708973033954884
Energy: 1.660361567993453
Energy: 1.7006846383116732
Energy: 1.660361567993453
Energy: 1.700684638312198
Energy: 1.6603615679939776
Energy: 1.700684638312198
Energy: 1.6442527955257757
Energy: 1.6954684446131316
Energy: 1.6442527955252513
Energy: 1.6954684446147055
Energy: 1.6442527955263004
Energy: 1.6954684445874202
Energy: 1.6673469625403072
Energy: 1.6650301977423836
Energy: 1.667346962540832
Energy: 1.6650301977423836
Energy: 1.6673469625397825
Energy: 1.6650301977423836
Energy: 1.6742207894510657
Energy: 1.687896854237277
Energy: 1.6742207894510657
Energy: 1.6878968542367525
Energy: 1.6742207894510657
Energy: 1.6878968542378017
Energy: 1.6475468206324964
Energy: 1.896695244548608
Energy: 1.6475468206330213
Energy: 1.8966952445501823
Energy: 1.6475468206330213
Energy: 1.8966952445496577
Energy: 1.7340085993437755
Energy: 1.660390839355547
Energy: 1.7340085993432506
Energy: 1.6603908393560716
Energy: 1.7340085993437755
Energy: 1.660390839355547
Energy: 1.6545629486164846
Energy: 1.6711522883521999
Energy: 1.6545629486175337
Energy: 1.6711522883521999
Energy: 1.654562948617009
Energy: 1.6711522883521999
Energy: 1.6929027903917542
Energy: 1.7317821702246143
Energy: 1.6929027903928036
Energy: 1.7317821702251395
Energy: 1.6929027903912295
Energy: 1.7317821702251395
Energy: 1.6865769574134482
Energy: 1.6812180404030421
Energy: 1.6865769574134482
Energy: 1.6812180404030421
Energy: 1.6865769574129235
Energy: 1.6812180404030421
Energy: 1.6869035111002566
Energy: 1.6745880232581485
Energy: 1.6869035111002566
Energy: 1.6745880232586732
Energy: 1.6869035110997321
Energy: 1.6745880232586732
Energy: 1.635610195607848
Energy: 1.7175996543696816
Energy: 1.6356101956083724
Energy: 1.7175996543691567
Energy: 1.635610195607848
Energy: 1.7175996543717806
Energy: 1.6426679801778639
Energy: 1.6877413404473671
Energy: 1.6426679801778639
Energy: 1.6877413404473671
Energy: 1.6426679801778639
Energy: 1.6877413404478918
Energy: 1.6654207343687275
Energy: 1.6654822284035422
Energy: 1.6654207343687275
Energy: 1.665482228404067
Energy: 1.6654207343687275
Energy: 1.665482228404067
Energy: 1.676514791706613
Energy: 1.6768926346330406
Energy: 1.676514791706613
Energy: 1.6768926346335653
Energy: 1.676514791706613
Energy: 1.6768926346335653
Energy: 1.6440767628967612
Energy: 1.8655827691769982
Energy: 1.6440767628983355
Energy: 1.865582769177523
Energy: 1.6440767628967612
Energy: 1.8655827691780478
Energy: 1.756743593827613
Energy: 1.6649714207831372
Energy: 1.756743593827088
Energy: 1.6649714207831372
Energy: 1.756743593827613
Energy: 1.6649714207826123
Energy: 1.7506946863053443
Energy: 1.6701404292729873
Energy: 1.7506946863048196
Energy: 1.670140429273512
Energy: 1.7506946863048196
Energy: 1.6701404292729873
Energy: 1.635576329109477
Energy: 1.7376563644969083
Energy: 1.6355763291100016
Energy: 1.737656364500033
Energy: 1.6355763291105263
Energy: 1.7376563644963836
Energy: 1.7182928452569337
Energy: 1.6814308782186607
Energy: 1.7182928452558845
Energy: 1.6814308782186607
Energy: 1.7182928452564092
Energy: 1.6814308782191856
Energy: 1.6540818955006522
Energy: 1.6720092736882075
Energy: 1.6540818954996028
Energy: 1.6720092736887322
Energy: 1.654081895501177
Energy: 1.6720092736882075
Energy: 1.6928768267601602
Energy: 1.7320791082537976
Energy: 1.6928768267612095
Energy: 1.7320791082537976
Energy: 1.6928768267606848
Energy: 1.7320791082537976
Energy: 1.6925170676999204
Energy: 1.6772605674897951
Energy: 1.692517067700445
Energy: 1.6772605674908443
Energy: 1.6925170676999204
Energy: 1.6772605674897951
Energy: 1.8153327080867365
Energy: 1.6650105661297783
Energy: 1.8153327080883108
Energy: 1.6650105661292534
Energy: 1.8153327080867365
Energy: 1.6650105661292534
Energy: 1.641326057355628
Energy: 1.6780145425316535
Energy: 1.641326057355628
Energy: 1.6780145425311286
Energy: 1.6413260573551034
Energy: 1.6780145425321782
Energy: 1.6437871459449713
Energy: 1.6893169748263166
Energy: 1.643787145945496
Energy: 1.6893169748257917
Energy: 1.6437871459449713
Energy: 1.689316974825267
Energy: 1.7568838705968657
Energy: 1.6650404336887086
Energy: 1.7568838705968657
Energy: 1.6650404336897582
Energy: 1.7568838705973906
Energy: 1.6650404336892333
Energy: 1.747185207714824
Energy: 1.6685119882026518
Energy: 1.7471852077158736
Energy: 1.668511988201602
Energy: 1.747185207715349
Energy: 1.668511988201602

minimum gb energy = 1.6354971346805658 eV
minimum distance =  2.30851511018249 Angstroms
sigma value = 33


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

Energy: 0.01682712406904916
Energy: 1.0722745499914272
Energy: 0.01682712406904916
Energy: 1.0722745499918391
Energy: 0.01682712406904916
Energy: 1.0722745499909914
Energy: 0.018020863257375966
Energy: 0.3774248962678231
Energy: 0.018020863257811937
Energy: 0.3774248962678231
Energy: 0.018020863257811937
Energy: 0.3774248962686708
Energy: 1.0725810972164682
Energy: 0.37702572183151367
Energy: 1.0725812922829834
Energy: 0.37702572271139645
Energy: 1.0725810989527884
Energy: 0.377025721762897
Energy: 0.01802086325865965
Energy: 0.3774248962673871
Energy: 0.018020863258223684
Energy: 0.3774248962673871
Energy: 0.018020863258223684
Energy: 0.3774248962673871

minimum gb energy = 0.01682712406904916 eV
minimum distance =  2.56583139561844 Angstroms
sigma value = 1