Model name: model_name=Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049998886883259
cohesive_energy=3.360254209517774
mass=26.981538
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: 0.01037439565159753
Energy: 0.5509113500840369
Energy: 0.01037439565159753
Energy: 0.5509113500840369
Energy: 0.01037439565159753
Energy: 0.5509113500840369
Energy: 0.5509113500840369
Energy: 0.7064303909010251
Energy: 0.5509113500840369
Energy: 0.7064303909007752
Energy: 0.5509113500840369
Energy: 0.7064303909007752
Energy: 0.01037439565159753
Energy: 0.5509113500840369
Energy: 0.01037439565159753
Energy: 0.5509113500840369
Energy: 0.01037439565159753
Energy: 0.5509113500837871
Energy: 0.5509113500840369
Energy: 0.7064303909010251
Energy: 0.5509113500840369
Energy: 0.7064303909005532
Energy: 0.5509113500840369
Energy: 0.7064303909010251
Energy: 0.01037439565159753
Energy: 0.5509113500840369
Energy: 0.01037439565159753
Energy: 0.5509113500840369
Energy: 0.01037439565159753
Energy: 0.5509113500837871
Energy: 0.5509113500840369
Energy: 0.7064303909010251
Energy: 0.5509113500840369
Energy: 0.7064303909010251
Energy: 0.5509113500840369
Energy: 0.7064303909007752

minimum gb energy = 0.01037439565159753 eV
minimum distance =  2.50074731581968 Angstroms
sigma value = 1


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

Energy: 0.7019627455583082
Energy: 0.663052289081792
Energy: 0.7019627455583082
Energy: 0.6630522890811907
Energy: 0.7019627455583082
Energy: 0.6630522890811907
Energy: 0.7622149456325513
Energy: 0.5956081810115217
Energy: 0.7622149456325513
Energy: 0.5956081810115217
Energy: 0.7622149456325513
Energy: 0.5956081810115217
Energy: 0.6333692306611343
Energy: 0.7469686456790257
Energy: 0.6333692306611343
Energy: 0.7469686456790257
Energy: 0.6333692306611343
Energy: 0.7469686456790257
Energy: 0.7631196320000372
Energy: 0.6176354050674205
Energy: 0.7631196320006385
Energy: 0.6176354050674205
Energy: 0.7631196320000372
Energy: 0.6176354050674205
Energy: 0.6757691006910419
Energy: 0.756625088499847
Energy: 0.6757691006910419
Energy: 0.756625088499847
Energy: 0.6757691006910419
Energy: 0.756625088499847
Energy: 0.7031691164051395
Energy: 0.6156541091565373
Energy: 0.7031691164051395
Energy: 0.6156541091565373
Energy: 0.7031691164051395
Energy: 0.6156541091565373
Energy: 0.6516386189134994
Energy: 0.7391953749599839
Energy: 0.6516386189134994
Energy: 0.7391953749599839
Energy: 0.6516386189134994
Energy: 0.7391953749599839
Energy: 0.6588813936794877
Energy: 0.7506635732343129
Energy: 0.6588813936794877
Energy: 0.7506635732343129
Energy: 0.6588813936794877
Energy: 0.7506635732343129
Energy: 0.7170732406796659
Energy: 0.6678113417769749
Energy: 0.7170732406796659
Energy: 0.6678113417775764
Energy: 0.7170732406796659
Energy: 0.6678113417775764
Energy: 0.5946650513275258
Energy: 0.7554815927469849
Energy: 0.5946650513281272
Energy: 0.7554815927469849
Energy: 0.5946650513281272
Energy: 0.7554815927469849
Energy: 0.7666752459636909
Energy: 0.6057816064884158
Energy: 0.7666752459630896
Energy: 0.6057816064884158
Energy: 0.7666752459636909
Energy: 0.6057816064884158
Energy: 0.5635662440453023
Energy: 0.8226837330013583
Energy: 0.5635662440459038
Energy: 0.8226837330013583
Energy: 0.5635662440453023
Energy: 0.8226837330013583
Energy: 0.7512923335921194
Energy: 0.5688501093877406
Energy: 0.7512923335921194
Energy: 0.5688501093877406
Energy: 0.7512923335927209
Energy: 0.5688501093877406
Energy: 0.6100167836120605
Energy: 0.7041824849729553
Energy: 0.6100167836120605
Energy: 0.7041824849729553
Energy: 0.6100167836120605
Energy: 0.7041824849729553
Energy: 0.776743664562137
Energy: 0.6160443489490417
Energy: 0.7767436645615357
Energy: 0.6160443489490417
Energy: 0.776743664562137
Energy: 0.6160443489490417
Energy: 0.7516151675313617
Energy: 0.6926103381983296
Energy: 0.7516151675313617
Energy: 0.6926103381983296
Energy: 0.7516151675313617
Energy: 0.6926103381977281
Energy: 0.6858519359920644
Energy: 0.6711258564295499
Energy: 0.6858519359920644
Energy: 0.6711258564295499
Energy: 0.685851935991463
Energy: 0.6711258564295499
Energy: 0.721244902975039
Energy: 0.6294460051850153
Energy: 0.721244902975039
Energy: 0.6294460051844138
Energy: 0.721244902975039
Energy: 0.6294460051844138
Energy: 0.6557132973866735
Energy: 0.6307187232269595
Energy: 0.6557132973866735
Energy: 0.630718723227561
Energy: 0.6557132973866735
Energy: 0.6307187232269595
Energy: 0.7136115792305068
Energy: 0.6158194381333715
Energy: 0.7136115792305068
Energy: 0.6158194381333715
Energy: 0.7136115792305068
Energy: 0.6158194381333715
Energy: 0.6069457585045861
Energy: 0.7596948542778021
Energy: 0.6069457585045861
Energy: 0.7596948542778021
Energy: 0.6069457585045861
Energy: 0.7596948542778021
Energy: 0.7534845686970657
Energy: 0.6730151426047792
Energy: 0.7534845686970657
Energy: 0.6730151426047792
Energy: 0.7534845686970657
Energy: 0.6730151426047792
Energy: 0.5999851783350834
Energy: 0.7631880042086246
Energy: 0.599985178334482
Energy: 0.7631880042086246
Energy: 0.5999851783350834
Energy: 0.7631880042086246

minimum gb energy = 0.5635662440453023 eV
minimum distance =  2.56385536762465 Angstroms
sigma value = 33


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

Energy: 0.7857702387136524
Energy: 0.7128513361189962
Energy: 0.7299242370849236
Energy: 0.7128513361193383
Energy: 0.7857702387136524
Energy: 0.7128513361196807
Energy: 0.7702914621733452
Energy: 0.6226468015833767
Energy: 0.7702914621733452
Energy: 0.6226468015833767
Energy: 0.7702914621733452
Energy: 0.6226468015837188
Energy: 0.605088877484836
Energy: 0.6544020370145078
Energy: 0.6050888774844938
Energy: 0.6544020370145078
Energy: 0.605088877484836
Energy: 0.6544020370148499
Energy: 0.7740232232218003
Energy: 0.7209868937083309
Energy: 0.7740232232218003
Energy: 0.7209868937083309
Energy: 0.7740232232218003
Energy: 0.7209868937083309
Energy: 0.6962229601929032
Energy: 0.6632462467825635
Energy: 0.6962229601929032
Energy: 0.6632462467825635
Energy: 0.6962229601929032
Energy: 0.6632462467825635
Energy: 0.6271163558996374
Energy: 0.609570600702722
Energy: 0.6271163558996374
Energy: 0.6095323237273348
Energy: 0.6271163558996374
Energy: 0.609570600702722
Energy: 0.7248729780215906
Energy: 0.7105125214931011
Energy: 0.7248729780212485
Energy: 0.737136468391574
Energy: 0.7248729780215906
Energy: 0.7105125214931011
Energy: 0.5701789692423735
Energy: 0.7906745318913954
Energy: 0.5701789692423735
Energy: 0.7906745318913954
Energy: 0.5701789692423735
Energy: 0.7906745318913954
Energy: 0.6752603690673074
Energy: 0.607150648038286
Energy: 0.6752603690673074
Energy: 0.607150648038286
Energy: 0.6752603690673074
Energy: 0.607150648038286
Energy: 0.6114802127893291
Energy: 0.7699381963320754
Energy: 0.611471970684209
Energy: 0.7699381963320754
Energy: 0.6114802127893291
Energy: 0.7699381963324176
Energy: 0.7388054027797749
Energy: 0.6110844801804451
Energy: 0.7388054027797749
Energy: 0.6110844801801031
Energy: 0.7388054027797749
Energy: 0.6110844801801031
Energy: 0.6051019311955896
Energy: 0.6610171969478775
Energy: 0.6051028220614834
Energy: 0.6610171969475354
Energy: 0.6051019311955896
Energy: 0.6610171969478775
Energy: 0.7797369268890154
Energy: 0.5946381753643991
Energy: 0.7797668308719093
Energy: 0.5946381753647412
Energy: 0.7797369268890154
Energy: 0.5946381753643991
Energy: 0.7357921460059149
Energy: 0.731142727598684
Energy: 0.7357927536095759
Energy: 0.7307473520984619
Energy: 0.7357921460059149
Energy: 0.731142727598684
Energy: 0.7255192047022699
Energy: 0.6610347358884479
Energy: 0.7255192047022699
Energy: 0.6610347358884479
Energy: 0.7255192047019278
Energy: 0.6610347358884479
Energy: 0.6102072444699799
Energy: 0.6601486222656977
Energy: 0.6102072444699799
Energy: 0.6601486222660398
Energy: 0.6102072444699799
Energy: 0.6601486222656977
Energy: 0.7331183886343028
Energy: 0.727457508161836
Energy: 0.7331183886343028
Energy: 0.727457508161836
Energy: 0.7331183886343028
Energy: 0.727457508161836
Energy: 0.7022200112424103
Energy: 0.6046219934481932
Energy: 0.7022200112427524
Energy: 0.6045697663549334
Energy: 0.7022200112424103
Energy: 0.6046219934478512
Energy: 0.635883276304229
Energy: 0.6497079607700504
Energy: 0.635883276304229
Energy: 0.6308070915498128
Energy: 0.635883276304229
Energy: 0.6497079607697084
Energy: 0.7230957521231324
Energy: 0.73729546684405
Energy: 0.7233267837290507
Energy: 0.7095089558879322
Energy: 0.7230957521231324
Energy: 0.73729546684405
Energy: 0.5837765791430185
Energy: 0.8084037411797874
Energy: 0.5837417601242904
Energy: 0.8084037411801295
Energy: 0.5837765791430185
Energy: 0.8084037411801295
Energy: 0.658105678943537
Energy: 0.6066210025823141
Energy: 0.6581056789445633
Energy: 0.6066210025823141
Energy: 0.6581056789442212
Energy: 0.6066210025823141
Energy: 0.6083876441214601
Energy: 0.7925828914521261
Energy: 0.6083744502576357
Energy: 0.7925828914521261
Energy: 0.6083876441214601
Energy: 0.7925828914521261
Energy: 0.7352007327073092
Energy: 0.6783561821708671
Energy: 0.7352007327076514
Energy: 0.6783561821708671
Energy: 0.7352007327073092
Energy: 0.6783561821708671
Energy: 0.6056675056587102
Energy: 0.6341790992031875
Energy: 0.605627567052279
Energy: 0.6341790992028454
Energy: 0.6056675056587102
Energy: 0.6341790992031875
Energy: 0.8018292378550711
Energy: 0.694237138071119
Energy: 0.7587903394873073
Energy: 0.694237138071119
Energy: 0.8018292378550711
Energy: 0.694237138071461
Energy: 0.7903212370841497
Energy: 0.7238146789413987
Energy: 0.7646874306510316
Energy: 0.723814678941741
Energy: 0.7903212370841497
Energy: 0.7238146789410566
Energy: 0.6079356513993264
Energy: 0.6763862608795823
Energy: 0.6079356513993264
Energy: 0.6763862608795823
Energy: 0.6079356513993264
Energy: 0.6763862608795823
Energy: 0.7708273188988966
Energy: 0.6317269206590499
Energy: 0.7708273188992387
Energy: 0.6317269206590499
Energy: 0.7708273188988966
Energy: 0.6317269206587078
Energy: 0.609225782790233
Energy: 0.7792725425357211
Energy: 0.609225782790233
Energy: 0.7792725425357211
Energy: 0.6092257827905752
Energy: 0.7792725425357211
Energy: 0.793080867461218
Energy: 0.6071038248611541
Energy: 0.79308086746156
Energy: 0.6070861623325966
Energy: 0.7930808674619023
Energy: 0.6071038248611541
Energy: 0.6019808248642661
Energy: 0.7675123125117873
Energy: 0.6019808248642661
Energy: 0.7980675622866988
Energy: 0.6019808248646082
Energy: 0.7675123125121294
Energy: 0.730731992923157
Energy: 0.7095141554816139
Energy: 0.730731992923157
Energy: 0.7376901319002479
Energy: 0.7307319929234991
Energy: 0.7095141554816139
Energy: 0.6618940952416248
Energy: 0.7284759275304893
Energy: 0.6618940952416248
Energy: 0.7284759275304893
Energy: 0.6618940952416248
Energy: 0.7284759275304893
Energy: 0.6596488524012424
Energy: 0.6046631490992561
Energy: 0.6596488524015844
Energy: 0.6046631490992561
Energy: 0.6596488524015844
Energy: 0.604663149098914
Energy: 0.7073542370628157
Energy: 0.7553320297057198
Energy: 0.7073542370631579
Energy: 0.755332029706062
Energy: 0.7073542370631579
Energy: 0.7553320297057198
Energy: 0.6052305546080703
Energy: 0.6998428472061292
Energy: 0.6052338552026549
Energy: 0.6998428472057872
Energy: 0.6052305546077282
Energy: 0.6998428472057872
Energy: 0.6288296358305827
Energy: 0.6301151350404814
Energy: 0.6305697981446274
Energy: 0.6301151350408235
Energy: 0.6288296358305827
Energy: 0.6301151350408235
Energy: 0.735714415375779
Energy: 0.7205841417147215
Energy: 0.7357157321359978
Energy: 0.720924246506392
Energy: 0.735714415376121
Energy: 0.7205841417147215
Energy: 0.8035999486135756
Energy: 0.579662381610075
Energy: 0.8035999486135756
Energy: 0.579670929711298
Energy: 0.8035999486135756
Energy: 0.579662381610075
Energy: 0.6051498255305501
Energy: 0.5838831091450508
Energy: 0.6051498255305501
Energy: 0.5838831091447086
Energy: 0.6051498255305501
Energy: 0.5838831091447086

minimum gb energy = 0.5701789692423735 eV
minimum distance =  2.66596857665352 Angstroms
sigma value = 51


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

Energy: 0.6625752555311473
Energy: 0.7428973059254115
Energy: 0.6625752555311473
Energy: 0.7428973059254115
Energy: 0.6625752555311473
Energy: 0.7428973059254115
Energy: 0.724466600994209
Energy: 0.632835481126222
Energy: 0.724466600994209
Energy: 0.632835481126222
Energy: 0.724466600994209
Energy: 0.632835481126222
Energy: 0.632331262880598
Energy: 0.6759194162811801
Energy: 0.632331262880598
Energy: 0.6759194162811801
Energy: 0.632331262880598
Energy: 0.6759194162811801
Energy: 0.6826962341818054
Energy: 0.5872796802169993
Energy: 0.6826962341818054
Energy: 0.5872796802169993
Energy: 0.6826962341818054
Energy: 0.5872796802169993
Energy: 0.6898187245214509
Energy: 0.7148641401422442
Energy: 0.6898187245214509
Energy: 0.7148641401422442
Energy: 0.6898187245214509
Energy: 0.7148641401422442
Energy: 0.6802725581595003
Energy: 0.6959997440419681
Energy: 0.6802725581602929
Energy: 0.6959997440419681
Energy: 0.6802725581595003
Energy: 0.6959997440419681
Energy: 0.6981242237068317
Energy: 0.6482856553588793
Energy: 0.6981242237068317
Energy: 0.6482856553588793
Energy: 0.6981242237068317
Energy: 0.6482856553588793
Energy: 0.6146250961719322
Energy: 0.6591890622327795
Energy: 0.6146250961719322
Energy: 0.6591890622327795
Energy: 0.6146250961719322
Energy: 0.6591890622311942
Energy: 0.7740248946182418
Energy: 0.5884436750549004
Energy: 0.7740248946182418
Energy: 0.5884436750549004
Energy: 0.7740248946182418
Energy: 0.5884436750549004
Energy: 0.5839248829310327
Energy: 0.745637794117047
Energy: 0.5839248829310327
Energy: 0.745637794117047
Energy: 0.5839248829310327
Energy: 0.7456377941178395
Energy: 0.7656061315150665
Energy: 0.576187377313451
Energy: 0.7656061315150665
Energy: 0.576187377313451
Energy: 0.7656061315150665
Energy: 0.576187377313451
Energy: 0.6644894892767793
Energy: 0.7236107580668258
Energy: 0.6644894892767793
Energy: 0.7236107580668258
Energy: 0.6644894892767793
Energy: 0.7236107580668258
Energy: 0.7491881000775967
Energy: 0.6462503059289431
Energy: 0.7491881000775967
Energy: 0.6462503059289431
Energy: 0.7491881000775967
Energy: 0.6462503059289431
Energy: 0.6751633629573083
Energy: 0.615360503497673
Energy: 0.6751633629581008
Energy: 0.615360503497673
Energy: 0.6751633629581008
Energy: 0.615360503497673
Energy: 0.6859627485589229
Energy: 0.6856725367825354
Energy: 0.6859627485589229
Energy: 0.6856725367817428
Energy: 0.6859627485589229
Energy: 0.6856725367817428
Energy: 0.695150999215179
Energy: 0.6742017866836453
Energy: 0.695150999215179
Energy: 0.6742017866836453
Energy: 0.695150999215179
Energy: 0.6742017866836453
Energy: 0.7026066263150667
Energy: 0.7509711625217779
Energy: 0.7026066263150667
Energy: 0.7509711625217779
Energy: 0.7026066263150667
Energy: 0.7509711625217779
Energy: 0.6829860688672237
Energy: 0.648173162105518
Energy: 0.6829860688672237
Energy: 0.648173162105518
Energy: 0.6829860688672237
Energy: 0.648173162105518

minimum gb energy = 0.576187377313451 eV
minimum distance =  2.4661437020464 Angstroms
sigma value = 19


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

Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.6625410018455158
Energy: 0.5640924492364799
Energy: 0.6625410018455158
Energy: 0.5640924492228665
Energy: 0.6625410018459859
Energy: 0.5640924492331887
Energy: 0.5566370300493123
Energy: 0.5637889089733402
Energy: 0.5566370300493123
Energy: 0.5637889089785121
Energy: 0.5566370300493123
Energy: 0.5637889089738104
Energy: 0.5617142971935515
Energy: 0.5552479277559988
Energy: 0.5617142971944918
Energy: 0.555247927756469
Energy: 0.5617142971940217
Energy: 0.5552479277559988
Energy: 0.5519489120352015
Energy: 0.5476827152299019
Energy: 0.5519489120352015
Energy: 0.5476827152303719
Energy: 0.5519489120356716
Energy: 0.5476827152299019
Energy: 0.5520992518009507
Energy: 0.5478854350383499
Energy: 0.5520992518014209
Energy: 0.5478854350374096
Energy: 0.5520992518009507
Energy: 0.5478854350374096
Energy: 0.561711162671014
Energy: 0.5552341723842602
Energy: 0.561711162671484
Energy: 0.5552341723842602
Energy: 0.5617111626719543
Energy: 0.5552341723847304
Energy: 0.5565997644512415
Energy: 0.6195811923103346
Energy: 0.5565997644512415
Energy: 0.6195811923117451
Energy: 0.5565997644512415
Energy: 0.6195811923112748
Energy: 0.6625137811679922
Energy: 0.6279971464433378
Energy: 0.6625137811684623
Energy: 0.6279971464447482
Energy: 0.6625137811684623
Energy: 0.627997146443808
Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.6625410018455158
Energy: 0.5640924491866636
Energy: 0.6625410018459859
Energy: 0.5640924491955968
Energy: 0.6625410018455158
Energy: 0.5640924492115824
Energy: 0.5566370300493123
Energy: 0.5637889089728702
Energy: 0.5566370300493123
Energy: 0.5637889089761613
Energy: 0.5566370300493123
Energy: 0.5637889089775717
Energy: 0.5617142971935515
Energy: 0.555247927756469
Energy: 0.5617142971926111
Energy: 0.5552479277559988
Energy: 0.5617142971940217
Energy: 0.555247927756469
Energy: 0.5519489120352015
Energy: 0.5476827152317825
Energy: 0.5519489120356716
Energy: 0.5476827152303719
Energy: 0.5519489120352015
Energy: 0.5476827152299019
Energy: 0.5520992518023612
Energy: 0.5478854350364691
Energy: 0.552099251801891
Energy: 0.5478854350369393
Energy: 0.5520992518023612
Energy: 0.5478854350369393
Energy: 0.561711162671014
Energy: 0.5552341723842602
Energy: 0.561711162671484
Energy: 0.5552341723842602
Energy: 0.561711162671484
Energy: 0.5552341723847304
Energy: 0.5565997644512415
Energy: 0.6195811923112748
Energy: 0.5565997644512415
Energy: 0.6195811923122152
Energy: 0.5565997644512415
Energy: 0.6195811923108047
Energy: 0.6625137811679922
Energy: 0.6279971464433378
Energy: 0.6625137811684623
Energy: 0.6279971464428676
Energy: 0.6625137811684623
Energy: 0.627997146443808
Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.6625410018459859
Energy: 0.5640924492200454
Energy: 0.6625410018455158
Energy: 0.5640924491979475
Energy: 0.6625410018455158
Energy: 0.5640924491960668
Energy: 0.5566370300493123
Energy: 0.5637889089789823
Energy: 0.5566370300493123
Energy: 0.5637889089860134
Energy: 0.5566370300493123
Energy: 0.5637889089799226
Energy: 0.5617142971940217
Energy: 0.555247927756469
Energy: 0.5617142971944918
Energy: 0.555247927756469
Energy: 0.5617142971940217
Energy: 0.5552479277559988
Energy: 0.5519489120347313
Energy: 0.5476827152299019
Energy: 0.5519489120352015
Energy: 0.5476827152299019
Energy: 0.5519489120352015
Energy: 0.5476827152303719
Energy: 0.5520992518023612
Energy: 0.5478854350364691
Energy: 0.5520992518014209
Energy: 0.5478854350369393
Energy: 0.552099251801891
Energy: 0.5478854350374096
Energy: 0.5617111626724244
Energy: 0.5552341723842602
Energy: 0.561711162671014
Energy: 0.5552341723842602
Energy: 0.5617111626719543
Energy: 0.5552341723842602
Energy: 0.5565997644512415
Energy: 0.6195811923108047
Energy: 0.5565997644512415
Energy: 0.6195811923103346
Energy: 0.5565997644512415
Energy: 0.6195811923108047
Energy: 0.6625137811679922
Energy: 0.627997146443808
Energy: 0.6625137811684623
Energy: 0.627997146443808
Energy: 0.6625137811684623
Energy: 0.6279971464433378
Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.5577634821129533
Energy: 0.5683194642777544
Energy: 0.5577634821134235
Energy: 0.5683194642777544
Energy: 0.6625410018455158
Energy: 0.5640924492233367
Energy: 0.6625410018459859
Energy: 0.564092449225666
Energy: 0.6625410018455158
Energy: 0.5640924491955968
Energy: 0.5566370300493123
Energy: 0.5637889089714595
Energy: 0.5566370300493123
Energy: 0.5637889089738104
Energy: 0.5566370300493123
Energy: 0.5637889089850731

minimum gb energy = 0.5476827152299019 eV
minimum distance =  2.68649498582498 Angstroms
sigma value = 27


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

Energy: 0.5776251947992578
Energy: 0.5664349902070701
Energy: 0.5776251947992578
Energy: 0.5664349902070701
Energy: 0.5776251947992578
Energy: 0.5664349902070701
Energy: 0.7368073724173649
Energy: 0.598919932501499
Energy: 0.7368073724173649
Energy: 0.598919932501499
Energy: 0.7368073724173649
Energy: 0.598919932501499
Energy: 0.6119962812030447
Energy: 0.6458340992284879
Energy: 0.6119962812030447
Energy: 0.6458340992284879
Energy: 0.6119962812030447
Energy: 0.6458340992284879
Energy: 0.6750633837043184
Energy: 0.5580393602931698
Energy: 0.6750633837043184
Energy: 0.5580393602920182
Energy: 0.6750633837043184
Energy: 0.5580393602920182
Energy: 0.6750193774058976
Energy: 0.5841749303480274
Energy: 0.6750193774070492
Energy: 0.5841749303480274
Energy: 0.6750193774070492
Energy: 0.5841749303480274
Energy: 0.6914993282016122
Energy: 0.696208612337917
Energy: 0.6914993282016122
Energy: 0.696208612337917
Energy: 0.6914993282016122
Energy: 0.696208612337917
Energy: 0.5573849648601847
Energy: 0.5974697528161689
Energy: 0.5573849648601847
Energy: 0.5974697528161689
Energy: 0.5573849648601847
Energy: 0.5974697528161689
Energy: 0.5808663214670152
Energy: 0.5676423979114457
Energy: 0.5808663214670152
Energy: 0.5676423979114457
Energy: 0.5808663214670152
Energy: 0.5676423979114457
Energy: 0.6761370902484342
Energy: 0.5715016788436766
Energy: 0.6761370902484342
Energy: 0.5715017050383094
Energy: 0.6761370902484342
Energy: 0.5715016648835761
Energy: 0.5883522388959567
Energy: 0.7297396301908524
Energy: 0.5883522388948049
Energy: 0.7297396301908524
Energy: 0.5883522388948049
Energy: 0.7297396301897007
Energy: 0.6668532768313472
Energy: 0.5552697598456393
Energy: 0.6668532768313472
Energy: 0.5552697598456393
Energy: 0.6668532768313472
Energy: 0.5552697598456393
Energy: 0.7487446833360278
Energy: 0.6930384375561294
Energy: 0.7487446833360278
Energy: 0.6930384375549777
Energy: 0.7487446833360278
Energy: 0.6930384375549777

minimum gb energy = 0.5552697598456393 eV
minimum distance =  2.59425933132153 Angstroms
sigma value = 9


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

Energy: 0.6270015548822712
Energy: 0.592926655834858
Energy: 0.6270015548822712
Energy: 0.592926655834858
Energy: 0.6270015548822712
Energy: 0.592926655834858
Energy: 0.665900935972157
Energy: 0.5800970818403408
Energy: 0.6659009359724807
Energy: 0.5800970818403408
Energy: 0.665900935972157
Energy: 0.5800970818403408
Energy: 0.5478277304230718
Energy: 0.7010048593734038
Energy: 0.5478277304224245
Energy: 0.7010048593734038
Energy: 0.5478277304224245
Energy: 0.7010048593734038
Energy: 0.5630559665407149
Energy: 0.5416564882102485
Energy: 0.5630559665407149
Energy: 0.5416564882099248
Energy: 0.5630559665407149
Energy: 0.5416564882099248
Energy: 0.5961739176304064
Energy: 0.571257359979933
Energy: 0.5961739176304064
Energy: 0.571257359979933
Energy: 0.5961739176300829
Energy: 0.5712573599796095
Energy: 0.5934740752015479
Energy: 0.6498288582861482
Energy: 0.5934740752038131
Energy: 0.6498288582864717
Energy: 0.5934740752018715
Energy: 0.6498288582861482
Energy: 0.6102268632318967
Energy: 0.6140739152449187
Energy: 0.6102268632312495
Energy: 0.6140739152449187
Energy: 0.6102268632309261
Energy: 0.614073915245566
Energy: 0.5261810111576842
Energy: 0.6093758630836671
Energy: 0.5261810111576842
Energy: 0.6093758630839907
Energy: 0.5261810111576842
Energy: 0.6093758630833436
Energy: 0.7431803503969726
Energy: 0.5700697708789954
Energy: 0.7431803503966492
Energy: 0.5700697708786717
Energy: 0.7431803503969726
Energy: 0.5700697708789954
Energy: 0.5964834452842837
Energy: 0.6949033531728334
Energy: 0.59648344528396
Energy: 0.6949033531721862
Energy: 0.5964834452842837
Energy: 0.6949033531725098
Energy: 0.5657298134233497
Energy: 0.5370723764802081
Energy: 0.5657298134233497
Energy: 0.5370723764802081
Energy: 0.5657298134233497
Energy: 0.5370723764802081
Energy: 0.5657836546723722
Energy: 0.6347782221844412
Energy: 0.5657836546720486
Energy: 0.6347782221841176
Energy: 0.5657836546723722
Energy: 0.6347782221844412
Energy: 0.6679520248186008
Energy: 0.6365967721803117
Energy: 0.6679520248173064
Energy: 0.6365967721803117
Energy: 0.6679520248189245
Energy: 0.6365967721803117
Energy: 0.692315168423657
Energy: 0.6053427783416004
Energy: 0.6923151684239806
Energy: 0.6053427783416004
Energy: 0.6923151684239806
Energy: 0.6053427783416004
Energy: 0.5556794176481482
Energy: 0.5843313807679172
Energy: 0.5556794176475011
Energy: 0.5843313807675937
Energy: 0.5556794176478246
Energy: 0.5843313807682409
Energy: 0.6939988892343304
Energy: 0.6540720759490476
Energy: 0.6939988892349777
Energy: 0.6540720759496946
Energy: 0.6939988892343304
Energy: 0.6540720759506654
Energy: 0.6583767202132016
Energy: 0.6591862275509167
Energy: 0.6583767202132016
Energy: 0.6591862275509167
Energy: 0.6583767202132016
Energy: 0.6591862275509167
Energy: 0.5636988088706127
Energy: 0.5676736154293649
Energy: 0.5636988088702891
Energy: 0.5676736154296884
Energy: 0.5636988088709363
Energy: 0.5676736154293649
Energy: 0.5303859382274582
Energy: 0.6639413763629993
Energy: 0.5303859382274582
Energy: 0.6639413763626758
Energy: 0.5303859382274582
Energy: 0.663941376363323
Energy: 0.6833644265272559
Energy: 0.6339011065344886
Energy: 0.6833644265272559
Energy: 0.6339011065335178
Energy: 0.6833644265272559
Energy: 0.6339011065341651
Energy: 0.5306389134251518
Energy: 0.6640274792949239
Energy: 0.5306389134254754
Energy: 0.6640274792952475
Energy: 0.5306389134251518
Energy: 0.6640274792949239
Energy: 0.5635059771930393
Energy: 0.5677980744819331
Energy: 0.5635059771933628
Energy: 0.5677980744819331
Energy: 0.5635059771933628
Energy: 0.5677980744819331
Energy: 0.6583823822863274
Energy: 0.6593022924704107
Energy: 0.6583823822860039
Energy: 0.6593022924704107
Energy: 0.6583823822863274
Energy: 0.6593022924704107
Energy: 0.6435139973100369
Energy: 0.688098181708293
Energy: 0.643513997308419
Energy: 0.688098181708293
Energy: 0.6435139973093897
Energy: 0.688098181708293
Energy: 0.5556215011864516
Energy: 0.5844497563933229
Energy: 0.5556215011861281
Energy: 0.5844497563933229
Energy: 0.5556215011864516
Energy: 0.5844497563933229
Energy: 0.6934094400565914
Energy: 0.6056980245997655
Energy: 0.6934094400565914
Energy: 0.6056980245991184
Energy: 0.6934094400565914
Energy: 0.6056980245991184
Energy: 0.6679587244909133
Energy: 0.6365131039292148
Energy: 0.6679587244915605
Energy: 0.6365131039288913
Energy: 0.6679587244915605
Energy: 0.6365131039292148
Energy: 0.5657279957750877
Energy: 0.5455094573271723
Energy: 0.5657279957757348
Energy: 0.5455094573274959
Energy: 0.5657279957750877
Energy: 0.5455094573268487
Energy: 0.5657499331096573
Energy: 0.5369286012171584
Energy: 0.5657499331099808
Energy: 0.5369286012171584
Energy: 0.5657499331096573
Energy: 0.5369286012168347
Energy: 0.5962821619611232
Energy: 0.7305727987504602
Energy: 0.5962821619614468
Energy: 0.7305727987504602
Energy: 0.5962821619617704
Energy: 0.7305727987504602
Energy: 0.7427689437109276
Energy: 0.5700253708872635
Energy: 0.7427689437109276
Energy: 0.5700253708872635
Energy: 0.7427689437118985
Energy: 0.5700253708872635
Energy: 0.5261847704532762
Energy: 0.6094360530881003
Energy: 0.5261847704532762
Energy: 0.6094360530881003
Energy: 0.5261847704532762
Energy: 0.6094360530881003
Energy: 0.6186674367108314
Energy: 0.6143709744417767
Energy: 0.6186674367108314
Energy: 0.6143709744417767
Energy: 0.6186674367108314
Energy: 0.6143709744417767
Energy: 0.5933734167526942
Energy: 0.578182223874942
Energy: 0.5933734167520471
Energy: 0.578182223874942
Energy: 0.5933734167523708
Energy: 0.5781822238746185
Energy: 0.5962635078176836
Energy: 0.5711878780166214
Energy: 0.5962635078176836
Energy: 0.5711878780166214
Energy: 0.5962635078173599
Energy: 0.5711878780159743
Energy: 0.5629862587711054
Energy: 0.5414371795509096
Energy: 0.5629862587711054
Energy: 0.5414371795505861
Energy: 0.5629862587711054
Energy: 0.5414371795505861
Energy: 0.5477918403056065
Energy: 0.701192728707782
Energy: 0.5477918403052829
Energy: 0.701192728707782
Energy: 0.5477918403052829
Energy: 0.701192728707782
Energy: 0.6657437396131992
Energy: 0.5874650339346432
Energy: 0.6657437396131992
Energy: 0.5874650339346432
Energy: 0.66574373961417
Energy: 0.5874650339346432
Energy: 0.6270015548825947
Energy: 0.592926655834858
Energy: 0.6270015548825947
Energy: 0.592926655834858
Energy: 0.6270015548825947
Energy: 0.592926655834858
Energy: 0.6659009359728042
Energy: 0.5753726189206814
Energy: 0.6659009359728042
Energy: 0.5753726189206814
Energy: 0.6659009359728042
Energy: 0.575372618921005
Energy: 0.5478277304230718
Energy: 0.7010048593734038
Energy: 0.5478277304227481
Energy: 0.7010048593734038
Energy: 0.5478277304227481
Energy: 0.7010048593734038
Energy: 0.5630559665407149
Energy: 0.5416564882099248
Energy: 0.5630559665407149
Energy: 0.5416564882099248
Energy: 0.5630559665407149
Energy: 0.5416564882099248
Energy: 0.5961739176304064
Energy: 0.571257359979933
Energy: 0.5961739176304064
Energy: 0.5712573599796095
Energy: 0.5961739176300829
Energy: 0.5712573599792858

minimum gb energy = 0.5261810111576842 eV
minimum distance =  2.60537376226348 Angstroms
sigma value = 57


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

Energy: 0.3467695690990335
Energy: 0.3530589495559799
Energy: 0.3467695690990335
Energy: 0.3530589495559799
Energy: 0.3467695690990335
Energy: 0.3530589495567165
Energy: 0.41938431307695845
Energy: 0.3477175358103806
Energy: 0.41938431307695845
Energy: 0.3477175358103806
Energy: 0.41938431307695845
Energy: 0.34771753580964404
Energy: 0.37433171613164157
Energy: 0.4051398344053272
Energy: 0.37433171613164157
Energy: 0.4051398344053272
Energy: 0.37433171613164157
Energy: 0.4051398344060638
Energy: 0.35559821488876975
Energy: 0.3537882806702454
Energy: 0.35559821488876975
Energy: 0.35378828066950885
Energy: 0.35559821488876975
Energy: 0.35378828066950885
Energy: 0.4182027373343133
Energy: 0.41696220347628493
Energy: 0.4182027373343133
Energy: 0.4169622034770215
Energy: 0.4182027373343133
Energy: 0.4169622034770215
Energy: 0.34713913140013114
Energy: 0.3766117724318414
Energy: 0.34713913140160435
Energy: 0.3766117724318414
Energy: 0.34713913140013114
Energy: 0.3766117724318414
Energy: 0.34727052883229403
Energy: 0.3766140748114754
Energy: 0.34727052883155746
Energy: 0.3766140748114754
Energy: 0.34727052883155746
Energy: 0.3766140748114754
Energy: 0.4181669094671346
Energy: 0.41633055641445804
Energy: 0.4181669094671346
Energy: 0.41633055641445804
Energy: 0.4181669094671346
Energy: 0.41633055641445804
Energy: 0.3561428016099965
Energy: 0.3537805240116829
Energy: 0.3561428016099965
Energy: 0.3537805240116829
Energy: 0.3561428016099965
Energy: 0.3537805240116829
Energy: 0.37428765165795774
Energy: 0.4052074295609797
Energy: 0.37428765165795774
Energy: 0.4052074295609797
Energy: 0.37428765165795774
Energy: 0.4052074295609797
Energy: 0.4169321924717276
Energy: 0.3477551160289791
Energy: 0.4169321924717276
Energy: 0.34775511603118897
Energy: 0.4169321924717276
Energy: 0.34775511603045234
Energy: 0.3467695690990335
Energy: 0.3530589495567165
Energy: 0.3467695690990335
Energy: 0.3530589495567165
Energy: 0.3467695690990335
Energy: 0.3530589495567165
Energy: 0.41938431307695845
Energy: 0.3477175358103806
Energy: 0.4193843130762218
Energy: 0.3477175358103806
Energy: 0.41938431307695845
Energy: 0.34771753580890746
Energy: 0.37433171613164157
Energy: 0.4051398344053272
Energy: 0.37433171613237815
Energy: 0.4051398344053272
Energy: 0.37433171613164157
Energy: 0.4051398344053272
Energy: 0.35559821488876975
Energy: 0.35378828066950885
Energy: 0.35559821488876975
Energy: 0.35378828066950885
Energy: 0.35559821488876975
Energy: 0.3537882806702454
Energy: 0.4182027373343133
Energy: 0.41696220347628493
Energy: 0.4182027373343133
Energy: 0.41696220347628493
Energy: 0.4182027373343133
Energy: 0.41696220347628493
Energy: 0.34713913139865793
Energy: 0.3766117724318414
Energy: 0.3471391314008677
Energy: 0.3766117724318414
Energy: 0.3471391313993945
Energy: 0.3766117724318414
Energy: 0.34727052883155746
Energy: 0.3766140748114754
Energy: 0.34727052883155746
Energy: 0.3766140748114754
Energy: 0.3472705288308208
Energy: 0.3766140748114754
Energy: 0.4181669094671346
Energy: 0.41633055641372135
Energy: 0.4181669094671346
Energy: 0.41633055641372135
Energy: 0.4181669094678713
Energy: 0.41633055641372135

minimum gb energy = 0.3467695690990335 eV
minimum distance =  2.68796011037991 Angstroms
sigma value = 11


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

Energy: 0.5833077837199034
Energy: 0.5531205478452298
Energy: 0.5833077837199034
Energy: 0.5531205478452298
Energy: 0.5833077837199034
Energy: 0.5531205478452298
Energy: 0.6600879470769107
Energy: 0.5570458321350801
Energy: 0.6600879470769107
Energy: 0.5570458321350801
Energy: 0.6600879470774503
Energy: 0.5570458321350801
Energy: 0.6293996310924735
Energy: 0.7993507318939304
Energy: 0.6204200350152135
Energy: 0.79935073189447
Energy: 0.6204200350152135
Energy: 0.79935073189447
Energy: 0.6798782748868504
Energy: 0.578192568195881
Energy: 0.6798782748868504
Energy: 0.578192568195881
Energy: 0.6798782748868504
Energy: 0.578192568195881
Energy: 0.5466465621589423
Energy: 0.5194001540335733
Energy: 0.5466465621589423
Energy: 0.5194001540335733
Energy: 0.5466465621589423
Energy: 0.5194001540335733
Energy: 0.5827894258068788
Energy: 0.5569531031686747
Energy: 0.5827894258063392
Energy: 0.5569531031692143
Energy: 0.5827894258063392
Energy: 0.5569531031692143
Energy: 0.6237569367731512
Energy: 0.6907338383138532
Energy: 0.6237569367731512
Energy: 0.6907338383138532
Energy: 0.6237569367731512
Energy: 0.6907338383138532
Energy: 0.5519583620486691
Energy: 0.5036303791555454
Energy: 0.5519583620492088
Energy: 0.5036303791555454
Energy: 0.5519583620492088
Energy: 0.5036303791555454
Energy: 0.5506611198530446
Energy: 0.5098399640839739
Energy: 0.5506611198530446
Energy: 0.5098399640845135
Energy: 0.550661119853584
Energy: 0.5098399640839739
Energy: 0.530264871178671
Energy: 0.7142468343777992
Energy: 0.530264871178671
Energy: 0.7142468343777992
Energy: 0.530264871178671
Energy: 0.7142468343772596
Energy: 0.6664231976228305
Energy: 0.6353213485686497
Energy: 0.6664231976228305
Energy: 0.6353213485686497
Energy: 0.6664231976233701
Energy: 0.6353213485686497
Energy: 0.5467665439347188
Energy: 0.5218463424595575
Energy: 0.5467665439347188
Energy: 0.5218463424595575
Energy: 0.5467665439341792
Energy: 0.5218463424595575
Energy: 0.573225426903121
Energy: 0.5751275383745619
Energy: 0.573225426903121
Energy: 0.5751275383745619
Energy: 0.573225426903121
Energy: 0.5751275383745619
Energy: 0.5982221198140285
Energy: 0.7292584053195619
Energy: 0.5982221198140285
Energy: 0.7292584053195619
Energy: 0.5982221198140285
Energy: 0.7292584053190224
Energy: 0.69514164994343
Energy: 0.5571034959311083
Energy: 0.69514164994343
Energy: 0.5571034959311083
Energy: 0.69514164994343
Energy: 0.5571034959311083
Energy: 0.5832127330699909
Energy: 0.5578224235478013
Energy: 0.5832127330699909
Energy: 0.5578224235478013
Energy: 0.5832127330699909
Energy: 0.5578224235478013
Energy: 0.5615039573980958
Energy: 0.5530714072024779
Energy: 0.5615039573975563
Energy: 0.5530714072024779
Energy: 0.5615039573975563
Energy: 0.5530714072024779
Energy: 0.6629011897043112
Energy: 0.6993068399022069
Energy: 0.6629011897043112
Energy: 0.6993068399022069
Energy: 0.6629011897043112
Energy: 0.6993068399022069
Energy: 0.6617368269412087
Energy: 0.5820213081133367
Energy: 0.6617368269406692
Energy: 0.5820213081133367
Energy: 0.6617368269412087
Energy: 0.5820213081133367
Energy: 0.5538232762019986
Energy: 0.5297793736864056
Energy: 0.5538232762019986
Energy: 0.5297793736858659
Energy: 0.5538232762025381
Energy: 0.5297793736864056
Energy: 0.513149756704679
Energy: 0.5526229120196696
Energy: 0.513149756704679
Energy: 0.5526229120202092
Energy: 0.513149756704679
Energy: 0.5526229120202092
Energy: 0.6286978000483189
Energy: 0.6239534710583395
Energy: 0.6286978000483189
Energy: 0.6239534710577999
Energy: 0.6286978000483189
Energy: 0.6239534710583395
Energy: 0.5551425181440339
Energy: 0.5705914965354625
Energy: 0.5551425181440339
Energy: 0.5705914965354625
Energy: 0.5551425181440339
Energy: 0.5705914965354625
Energy: 0.5515100889384759
Energy: 0.5334858178258703
Energy: 0.5515100889390153
Energy: 0.5334858178258703
Energy: 0.5515100889384759
Energy: 0.5334858178258703
Energy: 0.5131603308369127
Energy: 0.7325626865940809
Energy: 0.5131603308374524
Energy: 0.7325626865930016
Energy: 0.5131603308374524
Energy: 0.7325626865930016
Energy: 0.8022484680576706
Energy: 0.652292008693168
Energy: 0.802248468057131
Energy: 0.6522920086937076
Energy: 0.802248468057131
Energy: 0.652292008693168

minimum gb energy = 0.5036303791555454 eV
minimum distance =  2.55025018859858 Angstroms
sigma value = 41


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

Energy: 0.6347935561499378
Energy: 0.5449530042365504
Energy: 0.6347935561499378
Energy: 0.5449530042369757
Energy: 0.6347935561499378
Energy: 0.544953004236125
Energy: 0.6565256131902871
Energy: 0.6049066710818183
Energy: 0.6565256131902871
Energy: 0.604906671081393
Energy: 0.6565256131902871
Energy: 0.604906671081393
Energy: 0.6782153596329327
Energy: 0.8174994738744328
Energy: 0.6782153596329327
Energy: 0.8174994738744328
Energy: 0.6782153596329327
Energy: 0.8174994738744328
Energy: 0.6244343064990304
Energy: 0.5361369587654085
Energy: 0.6244343064990304
Energy: 0.5361369587645578
Energy: 0.6244343064994556
Energy: 0.5361369587649831
Energy: 0.5311062955510976
Energy: 0.5556355802112617
Energy: 0.5311062955515229
Energy: 0.5556355802108365
Energy: 0.5311062955515229
Energy: 0.5556355802108365
Energy: 0.6033317430745935
Energy: 0.6057999282956948
Energy: 0.6033317430745935
Energy: 0.6057999282961202
Energy: 0.6033317430745935
Energy: 0.6057999282956948
Energy: 0.5776923201319294
Energy: 0.6861114293860459
Energy: 0.5776923201315041
Energy: 0.6861114293860459
Energy: 0.5776923201315041
Energy: 0.6861114293860459
Energy: 0.5506240446802962
Energy: 0.5361257927331041
Energy: 0.5506240446802962
Energy: 0.5361257927335293
Energy: 0.550624044679871
Energy: 0.5361257927335293
Energy: 0.5413629629234451
Energy: 0.5520050812469737
Energy: 0.5413629629238703
Energy: 0.5520050812465483
Energy: 0.5413629629238703
Energy: 0.552005081247399
Energy: 0.595153970221628
Energy: 0.695405735360602
Energy: 0.5951539702229038
Energy: 0.6954057353601767
Energy: 0.5951539702220533
Energy: 0.695405735360602
Energy: 0.6984961652251509
Energy: 0.6906411632832051
Energy: 0.6984961652255762
Energy: 0.6906411632832051
Energy: 0.6984961652251509
Energy: 0.6906411632832051
Energy: 0.5359262684565835
Energy: 0.562671621450525
Energy: 0.5359262684570089
Energy: 0.5626716214513755
Energy: 0.5359262684570089
Energy: 0.5626716214509503
Energy: 0.5515050774838639
Energy: 0.5386231790075372
Energy: 0.5515050774838639
Energy: 0.5386231790066867
Energy: 0.5515050774838639
Energy: 0.5386231790071119
Energy: 0.5284132327782931
Energy: 0.7344329312515635
Energy: 0.5284132327782931
Energy: 0.7344329312515635
Energy: 0.5284132327782931
Energy: 0.7344329312515635
Energy: 0.7019285820457212
Energy: 0.6517137030491266
Energy: 0.7019285820448704
Energy: 0.6517137030487012
Energy: 0.7019285820452957
Energy: 0.6517137030487012
Energy: 0.5228606239290253
Energy: 0.5888568836445421
Energy: 0.5228606239290253
Energy: 0.5765111827130789
Energy: 0.5228606239294507
Energy: 0.5765111827130789
Energy: 0.5508860723640197
Energy: 0.5387987853590811
Energy: 0.550886072364445
Energy: 0.5387987853582304
Energy: 0.550886072364445
Energy: 0.5387987853578051
Energy: 0.6147463238861852
Energy: 0.744036876197861
Energy: 0.6147463238861852
Energy: 0.744036876197861
Energy: 0.6147463238861852
Energy: 0.744036876197861
Energy: 0.6838744553360488
Energy: 0.6004938581393732
Energy: 0.6838744553360488
Energy: 0.6004938581393732
Energy: 0.6838744553364741
Energy: 0.6004938581393732
Energy: 0.6367122290964292
Energy: 0.5626457448677055
Energy: 0.6367122290964292
Energy: 0.5626457448677055
Energy: 0.6367122290964292
Energy: 0.5626457448677055
Energy: 0.542227429936815
Energy: 0.6045978054321625
Energy: 0.5422274299372404
Energy: 0.6045978054325877
Energy: 0.5422274299372404
Energy: 0.6045978054321625
Energy: 0.66457957337228
Energy: 0.8387880965376457
Energy: 0.66457957337228
Energy: 0.8387880965376457
Energy: 0.66457957337228
Energy: 0.8387880965376457
Energy: 0.6045528950337845
Energy: 0.5346838682176607
Energy: 0.6045528950337845
Energy: 0.5346838682176607
Energy: 0.6045528950337845
Energy: 0.5346838682176607
Energy: 0.52999076560493
Energy: 0.5877142774038225
Energy: 0.5299907656053552
Energy: 0.5877142774033973
Energy: 0.5299907656045048
Energy: 0.5877142774033973
Energy: 0.5218446319980254
Energy: 0.6019679609067701
Energy: 0.5218446319976002
Energy: 0.6019679609063447
Energy: 0.5218446319980254
Energy: 0.6019679609063447
Energy: 0.5774136637364936
Energy: 0.7578386259868923
Energy: 0.5774136637364936
Energy: 0.7578386259868923
Energy: 0.5774136637364936
Energy: 0.757838625986467
Energy: 0.5382372889895433
Energy: 0.534697494797837
Energy: 0.5382372889895433
Energy: 0.5346974947961359
Energy: 0.5382372889895433
Energy: 0.5346974947982623
Energy: 0.5397932082425979
Energy: 0.5766439125129502
Energy: 0.5397932082430231
Energy: 0.5766439125129502
Energy: 0.5397932082430231
Energy: 0.5766439125129502
Energy: 0.6357824388419823
Energy: 0.6090261062626854
Energy: 0.6357824388424075
Energy: 0.6090261062626854
Energy: 0.6357824388415569
Energy: 0.6090261062626854
Energy: 0.8153807574339181
Energy: 0.6658414466043021
Energy: 0.8153807574334928
Energy: 0.6658414466043021
Energy: 0.8153807574339181
Energy: 0.6658414466043021
Energy: 0.5388746842485916
Energy: 0.5656313111529726
Energy: 0.5388746842490169
Energy: 0.5656313111529726
Energy: 0.5388746842485916
Energy: 0.5656313111529726
Energy: 0.5531334289376788
Energy: 0.5395065723986524
Energy: 0.5531334289376788
Energy: 0.5395065723982271
Energy: 0.5531334289376788
Energy: 0.539506572399503
Energy: 0.5220008620570439
Energy: 0.5997173971181331
Energy: 0.5220008620574692
Energy: 0.5997173971181331
Energy: 0.5220008620570439
Energy: 0.5997173971181331

minimum gb energy = 0.5218446319976002 eV
minimum distance =  2.56796909732979 Angstroms
sigma value = 33


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

Energy: 0.5682786706212778
Energy: 0.5450755052045465
Energy: 0.5682786706212778
Energy: 0.5450755052054419
Energy: 0.5682786706218749
Energy: 0.5450755052048449
Energy: 0.6868793899312511
Energy: 0.5427706241868435
Energy: 0.6868793899312511
Energy: 0.5427706241868435
Energy: 0.6868793899315496
Energy: 0.5427706241868435
Energy: 0.7130053809392785
Energy: 0.7785951372949588
Energy: 0.7130053809389801
Energy: 0.7785951372946603
Energy: 0.7130053809389801
Energy: 0.7785951372946603
Energy: 0.6468803199214189
Energy: 0.5395384023379737
Energy: 0.6468803199217172
Energy: 0.5395384023382722
Energy: 0.6468803199214189
Energy: 0.5395384023379737
Energy: 0.5397036613867886
Energy: 0.672967350393319
Energy: 0.5397036613864902
Energy: 0.672967350393319
Energy: 0.5397036613861917
Energy: 0.672967350393319
Energy: 0.6600724541957773
Energy: 0.5427581245256596
Energy: 0.6600724541957773
Energy: 0.542758124526555
Energy: 0.6600724541954788
Energy: 0.5427581245277489
Energy: 0.6057649725298834
Energy: 0.8726512374909748
Energy: 0.6057649725298834
Energy: 0.8726512374915717
Energy: 0.6057649725298834
Energy: 0.8726512374927387
Energy: 0.6240769093430839
Energy: 0.6555255472437715
Energy: 0.6240769093427854
Energy: 0.655525547243473
Energy: 0.6240769093436808
Energy: 0.65552554724407
Energy: 0.6754431040549789
Energy: 0.5643924962023449
Energy: 0.6754431040549789
Energy: 0.5643924962023449
Energy: 0.6754431040549789
Energy: 0.5643924962017479
Energy: 0.690549403725627
Energy: 0.5464558482338513
Energy: 0.690549403725627
Energy: 0.5464558482341498
Energy: 0.690549403725627
Energy: 0.5464558482341498
Energy: 0.6158359595820321
Energy: 0.6584329070548801
Energy: 0.6158359595817336
Energy: 0.6584329070545817
Energy: 0.6158359595802413
Energy: 0.6584329070551787
Energy: 0.6690184034769273
Energy: 0.5395326726795882
Energy: 0.6690184034769273
Energy: 0.5395326726801851
Energy: 0.6690184034772259
Energy: 0.5395326726798866
Energy: 0.567984532649054
Energy: 0.6749087530478048
Energy: 0.5679845326493524
Energy: 0.6749087530475063
Energy: 0.567984532649054
Energy: 0.6749087530478048
Energy: 0.6599392289648595
Energy: 0.6041818295273768
Energy: 0.6599392289651579
Energy: 0.6041818295279737
Energy: 0.6599392289648595
Energy: 0.6041818295264814
Energy: 0.7674763852781533
Energy: 0.6059637432502687
Energy: 0.7674763852757656
Energy: 0.6059637432496717
Energy: 0.7674763852766608
Energy: 0.6059637432478809
Energy: 0.5418646018373984
Energy: 0.65723977051962
Energy: 0.541864601837697
Energy: 0.6572397705193216
Energy: 0.5418646018371001
Energy: 0.65723977051962
Energy: 0.6709396433581469
Energy: 0.540372370521334
Energy: 0.6709396433581469
Energy: 0.540372370521334
Energy: 0.6709396433581469
Energy: 0.5403723705210355
Energy: 0.5407764287515555
Energy: 0.603879653135185
Energy: 0.5407764287512569
Energy: 0.603879653135782
Energy: 0.5407764287518538
Energy: 0.603879653135782
Energy: 0.7759018528869193
Energy: 0.6774538084034486
Energy: 0.7759018528869193
Energy: 0.6774538084034486
Energy: 0.7759018528866206
Energy: 0.6774538084034486
Energy: 0.6616473343065962
Energy: 0.5647655385426847
Energy: 0.6616473343065962
Energy: 0.5647655385429833
Energy: 0.6616473343065962
Energy: 0.5647655385429833
Energy: 0.5458135097453164
Energy: 0.5696842035701893
Energy: 0.5458135097453164
Energy: 0.5696842035701893
Energy: 0.5458135097456149
Energy: 0.5696842035710847
Energy: 0.541786612618786
Energy: 0.7695689350317594
Energy: 0.5417866126181891
Energy: 0.7695689350317594
Energy: 0.5417866126184875
Energy: 0.7695689350317594
Energy: 0.6580913950114583
Energy: 0.6199445383503926
Energy: 0.6580913950129506
Energy: 0.6199445383506912
Energy: 0.6580913950111598
Energy: 0.6199445383500942
Energy: 0.5392724159695408
Energy: 0.6621482634878191
Energy: 0.5392724159686454
Energy: 0.6621482634878191
Energy: 0.5392724159692422
Energy: 0.6621482634878191
Energy: 0.6794571805330257
Energy: 0.5438084556486746
Energy: 0.6794571805333243
Energy: 0.5438084556489732
Energy: 0.6794571805333243
Energy: 0.5438084556489732
Energy: 0.5429298714131803
Energy: 0.6570958089496444
Energy: 0.5429298714128818
Energy: 0.6570958089496444
Energy: 0.5429298714125833
Energy: 0.6570958089496444
Energy: 0.7679852635809512
Energy: 0.5976808023793365
Energy: 0.7679852635809512
Energy: 0.597680802379038
Energy: 0.7679852635809512
Energy: 0.597680802379635
Energy: 0.5662050403216242
Energy: 0.5419439161390422
Energy: 0.5662050403213257
Energy: 0.5419439161390422
Energy: 0.5662050403198334
Energy: 0.5419439161390422
Energy: 0.5641441507467879
Energy: 0.6613670809018553
Energy: 0.5641441507461911
Energy: 0.6613670809018553
Energy: 0.5641441507458925
Energy: 0.6613670809015568
Energy: 0.5466937114019302
Energy: 0.776449574910083
Energy: 0.5466937114022287
Energy: 0.7764495749103817
Energy: 0.5466937114019302
Energy: 0.7764495749103817
Energy: 0.6041478269359056
Energy: 0.5505690514997195
Energy: 0.6041478269359056
Energy: 0.5505690515003164
Energy: 0.6041478269359056
Energy: 0.5505690515012118
Energy: 0.5392385501093425
Energy: 0.6660853885049034
Energy: 0.5392385501087457
Energy: 0.6660853885046049
Energy: 0.5392385501096411
Energy: 0.6660853885049034
Energy: 0.6564369864488226
Energy: 0.5449128923570341
Energy: 0.6564369864488226
Energy: 0.5449128923573328
Energy: 0.6564369864500164
Energy: 0.5449128923573328
Energy: 0.6084604816097221
Energy: 0.7247838538138714
Energy: 0.6084604816097221
Energy: 0.7247838538141699
Energy: 0.6084604816097221
Energy: 0.7247838538141699
Energy: 0.6085255815500032
Energy: 0.6572329289586011
Energy: 0.6085255815497047
Energy: 0.6572329289586011
Energy: 0.6085255815488093
Energy: 0.6572329289586011
Energy: 0.6652030384511476
Energy: 0.5450647507350839
Energy: 0.6652030384511476
Energy: 0.5450647507350839
Energy: 0.6652030384514461
Energy: 0.5450647507350839
Energy: 0.5392556559719799
Energy: 0.666148350073781
Energy: 0.5392556559713829
Energy: 0.666148350073781
Energy: 0.5392556559713829
Energy: 0.666148350073781
Energy: 0.6036173051542303
Energy: 0.5505850376892593
Energy: 0.6036173051542303
Energy: 0.5505850376889607
Energy: 0.6036173051539319
Energy: 0.5505850376892593
Energy: 0.5465911661351361
Energy: 0.7763096662162421
Energy: 0.5465911661354346
Energy: 0.7763096662162421
Energy: 0.5465911661351361
Energy: 0.7763096662159437
Energy: 0.5641035981524634
Energy: 0.6713815875896063
Energy: 0.5641035981524634
Energy: 0.6713815875896063
Energy: 0.5641035981527618
Energy: 0.6713815875896063
Energy: 0.5663796211034082
Energy: 0.5419260122400449
Energy: 0.5663796211034082
Energy: 0.5419260122397465
Energy: 0.5663796211043036
Energy: 0.5419260122397465
Energy: 0.7678197162254479
Energy: 0.5975528316949873
Energy: 0.7678197162272388
Energy: 0.5975528316946889
Energy: 0.7678197162251496
Energy: 0.5975528316949873
Energy: 0.5432199978413393
Energy: 0.6571890063001146
Energy: 0.5432199978410409
Energy: 0.65718900630101
Energy: 0.5432199978401456
Energy: 0.6571890063004131
Energy: 0.6794574786916359
Energy: 0.5438089309156132
Energy: 0.6794574786916359
Energy: 0.5438089309153147
Energy: 0.6794574786919343
Energy: 0.5438089309153147
Energy: 0.5392086759368483
Energy: 0.6631975985090102
Energy: 0.5392086759368483
Energy: 0.6631975985110723
Energy: 0.5392086759371468
Energy: 0.6631975985095799
Energy: 0.6605559649429498
Energy: 0.6198302677528894
Energy: 0.6605559649432484
Energy: 0.6198302677522926
Energy: 0.6605559649429498
Energy: 0.6198302677528894
Energy: 0.5417535509964773
Energy: 0.7697284587920076
Energy: 0.5417535509967756
Energy: 0.7697284587920076
Energy: 0.5417535509964773
Energy: 0.7697284587920076

minimum gb energy = 0.5392086759368483 eV
minimum distance =  2.57455992458924 Angstroms
sigma value = 67


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

Energy: 0.4374494401296193
Energy: 0.4192405392945245
Energy: 0.4374494401296193
Energy: 0.4192405392943205
Energy: 0.43744944012982334
Energy: 0.4192405392945245
Energy: 0.3929880913327462
Energy: 0.3779591138982837
Energy: 0.39298809133295026
Energy: 0.3779591138982837
Energy: 0.39298809133295026
Energy: 0.3779591138984877
Energy: 0.7751128850704848
Energy: 0.9506521053642353
Energy: 0.7751128850704848
Energy: 0.9506521053642353
Energy: 0.5018066034911575
Energy: 0.9506521053640313
Energy: 0.39297429331791167
Energy: 0.37801756730618513
Energy: 0.3929742933181157
Energy: 0.37801756730618513
Energy: 0.3929742933181157
Energy: 0.37801756730618513
Energy: 0.43744944012982334
Energy: 0.4192405392945245
Energy: 0.43744944012982334
Energy: 0.4192405392943205
Energy: 0.43744944012982334
Energy: 0.4192405392945245
Energy: 0.3929880913327462
Energy: 0.3779591138984877
Energy: 0.3929880913327462
Energy: 0.3779591138982837
Energy: 0.3929880913331316
Energy: 0.3779591138984877
Energy: 0.42021757444637653
Energy: 0.9506521053642353
Energy: 0.42021757444619523
Energy: 0.9506521053640313
Energy: 0.4202175744442005
Energy: 0.9506521053642353

minimum gb energy = 0.3779591138982837 eV
minimum distance =  2.64665133182766 Angstroms
sigma value = 3


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

Energy: 0.6870789743154371
Energy: 0.6048225521326567
Energy: 0.6870789743148942
Energy: 0.6048225521326567
Energy: 0.6870789743151903
Energy: 0.6048225521323606
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Energy: 0.6906400444233393
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Energy: 0.6706831716627863
Energy: 0.631313910682079
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Energy: 0.6149849500075724
Energy: 0.6234255357900662
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Energy: 0.7410315261130743
Energy: 0.5527972633205772
Energy: 0.7410315261147029
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Energy: 0.7410315261144562
Energy: 0.552797263320281
Energy: 0.4935268989182704
Energy: 0.6966339709643754
Energy: 0.4935268989182704
Energy: 0.6966339709641286
Energy: 0.4935268989182704
Energy: 0.6966339709643754
Energy: 0.6381750285435437
Energy: 0.6223377288035985
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Energy: 0.6223377288035985
Energy: 0.6381750285435437
Energy: 0.6223377288038945
Energy: 0.6510601398327038
Energy: 0.6095956183779467
Energy: 0.6510601398327038
Energy: 0.6095956183776505
Energy: 0.651060139832457
Energy: 0.6095956183774037
Energy: 0.6976489771469226
Energy: 0.5008129919323149
Energy: 0.6976489566199268
Energy: 0.5008129919323149
Energy: 0.69764898461124
Energy: 0.500812991932611
Energy: 0.5234418125410079
Energy: 0.6632671164418351
Energy: 0.523441812540761
Energy: 0.6632671164415883
Energy: 0.5234418125410079
Energy: 0.6632671164415883
Energy: 0.6204197908156439
Energy: 0.6111255192865588
Energy: 0.62041979081594
Energy: 0.6111255192865588
Energy: 0.62041979081594
Energy: 0.6111255192865588
Energy: 0.6076213571915686
Energy: 0.6114618817100321
Energy: 0.6076213571913218
Energy: 0.6114618817094893
Energy: 0.6076213571913218
Energy: 0.6114618817100321
Energy: 0.6462484325064802
Energy: 0.5793735799693056
Energy: 0.6462484325064802
Energy: 0.5793735799693056
Energy: 0.6462484325064802
Energy: 0.5793735799690588
Energy: 0.5554308843523816
Energy: 0.6463459528258501
Energy: 0.5554308843526284
Energy: 0.6463459528256033
Energy: 0.5554308843523816
Energy: 0.6463459528258501

minimum gb energy = 0.4935268989182704 eV
minimum distance =  2.53064732458297 Angstroms
sigma value = 81


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

Energy: 0.6470591202415084
Energy: 0.5858921283558243
Energy: 0.6470591202415084
Energy: 0.5858921283554518
Energy: 0.6470591202415084
Energy: 0.5858921283558243
Energy: 0.6099391838674392
Energy: 0.5666711180617049
Energy: 0.6099391838670666
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Energy: 0.6099391838674392
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Energy: 0.5028288653176535
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Energy: 0.502828865318026
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Energy: 0.5654504136733435
Energy: 0.5380945877396712
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Energy: 0.5961206378585926
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Energy: 0.5961206378582201
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Energy: 0.5371439686722966
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Energy: 0.5371439686726691
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Energy: 0.5371439686722966
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Energy: 0.6803540996176881
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Energy: 0.6250369220864231
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Energy: 0.656711602782091
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Energy: 0.7228785776005878
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Energy: 0.6664069716202545
Energy: 0.536333983227657
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Energy: 0.5363339832272845
Energy: 0.5847090585735587
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Energy: 0.5658764808104724
Energy: 0.5739857886558081
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Energy: 0.6005524152213526
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Energy: 0.6251992354977628
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Energy: 0.6971028840658885
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Energy: 0.6050097647646612
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Energy: 0.48257598227607507
Energy: 0.6721107335739843
Energy: 0.48257598227607507
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Energy: 0.4825759822764476
Energy: 0.6721107335743567
Energy: 0.506068211717038
Energy: 0.5241029915373923
Energy: 0.5060682117174105
Energy: 0.5241029915373923
Energy: 0.5060682117174105
Energy: 0.5241029915373923
Energy: 0.5987275075748477
Energy: 0.6052854997488029
Energy: 0.5987275075748477
Energy: 0.6052854997484303
Energy: 0.5987275075744752
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Energy: 0.5541499571433209
Energy: 0.5373875560805487
Energy: 0.5541499571433209
Energy: 0.5373875560801763
Energy: 0.5541499571436936
Energy: 0.5373875560805487
Energy: 0.6618917244399976
Energy: 0.5557321026533714
Energy: 0.6618917244399976
Energy: 0.5557321026537438
Energy: 0.6618917244399976
Energy: 0.5557321026537438
Energy: 0.5717802274379431
Energy: 0.7153381995525011
Energy: 0.5717802274379431
Energy: 0.7153381995525011
Energy: 0.5717802274375705
Energy: 0.7153381995525011
Energy: 0.6249299112227491
Energy: 0.6036783748668597
Energy: 0.6249299112227491
Energy: 0.6036783748672322
Energy: 0.6249299112227491
Energy: 0.6036783748668597
Energy: 0.5603520416348593
Energy: 0.5714637639234885
Energy: 0.5603520416344867
Energy: 0.5714637639238611
Energy: 0.5603520416341142
Energy: 0.5714637639238611
Energy: 0.4750202249531784
Energy: 0.510135694766179
Energy: 0.4750202249531784
Energy: 0.510135694766179
Energy: 0.47502022495280594
Energy: 0.510135694766179
Energy: 0.543247408595534
Energy: 0.7572935770454047
Energy: 0.543247408595534
Energy: 0.7572935770442869
Energy: 0.5432474085959067
Energy: 0.7572935770454047
Energy: 0.6015017594738207
Energy: 0.5717927510387044
Energy: 0.6015017594738207
Energy: 0.5717927510387044
Energy: 0.6015017594738207
Energy: 0.5717927510387044
Energy: 0.5541203079146437
Energy: 0.6274058479190914
Energy: 0.5541203079150163
Energy: 0.6274058479190914
Energy: 0.5541203079146437
Energy: 0.627405847919464
Energy: 0.6102540332181955
Energy: 0.5435031305894703
Energy: 0.6102540332181955
Energy: 0.5435031305894703
Energy: 0.6102540332181955
Energy: 0.5435031305894703

minimum gb energy = 0.47502022495280594 eV
minimum distance =  2.55218291875375 Angstroms
sigma value = 43


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

Energy: 0.6166330432647499
Energy: 0.6155322175068424
Energy: 0.6166330432642924
Energy: 0.6155322175068424
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Energy: 0.654216516232529
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Energy: 0.565117915285417
Energy: 0.6717832537550865
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Energy: 0.5964553029764834
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Energy: 0.6016283742435276
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Energy: 0.5492062182380423
Energy: 0.6530093157662672
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Energy: 0.6021953871613583
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Energy: 0.6021953871613583
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Energy: 0.519196444806269
Energy: 0.6785151011193892
Energy: 0.5191964448058114
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Energy: 0.6785151011189314
Energy: 0.5734233837545996
Energy: 0.5611819464371951
Energy: 0.5734233837550572
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Energy: 0.6304772227672105
Energy: 0.6021675662587636
Energy: 0.6304772227676682
Energy: 0.6021675662587636
Energy: 0.6304772227676682
Energy: 0.6021675662587636
Energy: 0.619398247714353
Energy: 0.5913744560835431
Energy: 0.619398247714353
Energy: 0.5913744560840007
Energy: 0.619398247714353
Energy: 0.5913744560840007
Energy: 0.705989277956927
Energy: 0.5507438680830546
Energy: 0.705989277956927
Energy: 0.5507438680830546
Energy: 0.705989277956927
Energy: 0.5507438680830546
Energy: 0.6126376694773668
Energy: 0.5543360706401701
Energy: 0.6126376694773668
Energy: 0.5543360706401701
Energy: 0.6126376694778245
Energy: 0.5543360706401701
Energy: 0.6300130563410017
Energy: 0.5774169966432375
Energy: 0.6300130563410017
Energy: 0.5774169966432375
Energy: 0.6300130563410017
Energy: 0.5774169966432375
Energy: 0.6150520857372646
Energy: 0.6354247882852714
Energy: 0.6150520857372646
Energy: 0.6354247882852714
Energy: 0.6150520857372646
Energy: 0.6354247882852714
Energy: 0.6949185197990846
Energy: 0.5420442438909474
Energy: 0.6949185197990846
Energy: 0.5420442438909474
Energy: 0.6949185197995423
Energy: 0.5420442438909474
Energy: 0.5343392023749046
Energy: 0.6222377452538653
Energy: 0.5343392023749046
Energy: 0.6222377452543231
Energy: 0.5343392023749046
Energy: 0.6222377452538653
Energy: 0.6040605301560997
Energy: 0.6053938694930651
Energy: 0.6040605301560997
Energy: 0.6053938694935227
Energy: 0.6040605301560997
Energy: 0.6053938694930651
Energy: 0.5823128107489556
Energy: 0.5822680744539032
Energy: 0.5823128107489556
Energy: 0.5822680744543607
Energy: 0.5823128107489556
Energy: 0.5822680744543607
Energy: 0.6668934424299998
Energy: 0.5730547234123057
Energy: 0.6668934424299998
Energy: 0.5730547234123057
Energy: 0.6668934424299998
Energy: 0.5730547234127632
Energy: 0.5687989072664719
Energy: 0.6353870249515676
Energy: 0.5687989072664719
Energy: 0.6353870249506525
Energy: 0.5687989072664719
Energy: 0.6353870249506525
Energy: 0.6213343633191734
Energy: 0.604428405384158
Energy: 0.6213343633191734
Energy: 0.6044284053837004
Energy: 0.6213343633191734
Energy: 0.6044284053837004
Energy: 0.5821734222214477
Energy: 0.5852917867219367
Energy: 0.5821734222219054
Energy: 0.5852917867219367
Energy: 0.5821734222214477
Energy: 0.5852917867219367
Energy: 0.6650949036809408
Energy: 0.7017624968426492
Energy: 0.6650949036809408
Energy: 0.7017624968426492
Energy: 0.6650949036809408
Energy: 0.7017624968426492
Energy: 0.5698608469138815
Energy: 0.6005041582207225
Energy: 0.5698608469143391
Energy: 0.6005041582207225
Energy: 0.5698608469143391
Energy: 0.60050415822118

minimum gb energy = 0.5191964448058114 eV
minimum distance =  2.54713987992314 Angstroms
sigma value = 57


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

Energy: 0.6465009300109991
Energy: 0.5634056487285165
Energy: 0.6465009300109991
Energy: 0.5634056487285165
Energy: 0.646500930009814
Energy: 0.5634056487285165
Energy: 0.5646144887896716
Energy: 0.5838780313112724
Energy: 0.5646144887896716
Energy: 0.5838780313112724
Energy: 0.5646144887896716
Energy: 0.5838780313106797
Energy: 0.5633022963717653
Energy: 0.681519298792299
Energy: 0.5633022963717653
Energy: 0.6815192989575339
Energy: 0.5633022963717653
Energy: 0.681519298870459
Energy: 0.7282864457567977
Energy: 0.5880051967098601
Energy: 0.7282864457656856
Energy: 0.588005196708675
Energy: 0.7282864457621304
Energy: 0.5880051967092675
Energy: 0.7295201160316099
Energy: 0.6047820839494674
Energy: 0.7295201160316099
Energy: 0.6047820839494674
Energy: 0.7295201160316099
Energy: 0.6047820839494674
Energy: 0.5741547768848972
Energy: 0.672377179181389
Energy: 0.5741547768848972
Energy: 0.672377179181389
Energy: 0.5741547768848972
Energy: 0.672377179181389
Energy: 0.6423195310734222
Energy: 0.6099605547822651
Energy: 0.6423195310734222
Energy: 0.6099605547822651
Energy: 0.6423195310734222
Energy: 0.6099605547822651
Energy: 0.5992385550600876
Energy: 0.5657024418546946
Energy: 0.5992385550600876
Energy: 0.5657024418546946
Energy: 0.5992385550612728
Energy: 0.5657024418546946
Energy: 0.6588374932162129
Energy: 0.5768983841549673
Energy: 0.658837493217398
Energy: 0.5768983841543748
Energy: 0.6588374932168055
Energy: 0.5768983841543748
Energy: 0.5922145999562313
Energy: 0.6042627861342714
Energy: 0.5922145999562313
Energy: 0.6042627861342714
Energy: 0.5922145999562313
Energy: 0.6042627861342714
Energy: 0.5640165371111799
Energy: 0.6207907939640285
Energy: 0.5640165371111799
Energy: 0.6207907939646211
Energy: 0.5640165371123651
Energy: 0.6207907939646211
Energy: 0.6852236308991123
Energy: 0.5970441039993742
Energy: 0.6852236308991123
Energy: 0.5970441039999669
Energy: 0.6852236308991123
Energy: 0.5970441039993742
Energy: 0.5881467440288919
Energy: 0.5774701481053435
Energy: 0.5881467440288919
Energy: 0.5774701481053435
Energy: 0.5881467440288919
Energy: 0.5774701481053435
Energy: 0.6448689496472825
Energy: 0.5069256558681762
Energy: 0.6448689496472825
Energy: 0.5069256558681762
Energy: 0.6448689496472825
Energy: 0.5069256558681762
Energy: 0.6841123837238444
Energy: 0.5352464222944018
Energy: 0.6841123837238444
Energy: 0.5352464222938091
Energy: 0.6841123837238444
Energy: 0.5352464222944018
Energy: 0.6997949611092329
Energy: 0.5701959387024659
Energy: 0.6997949611092329
Energy: 0.5701959387024659
Energy: 0.6997949611092329
Energy: 0.5701959387018735
Energy: 0.5848532973975397
Energy: 0.6044706980009745
Energy: 0.5848532973975397
Energy: 0.6044706980009745
Energy: 0.5848532973975397
Energy: 0.6044706980009745
Energy: 0.5631734973226982
Energy: 0.5362965574928203
Energy: 0.5631734973221056
Energy: 0.5362965574928203
Energy: 0.5631734973221056
Energy: 0.5362965574928203
Energy: 0.5846187889351873
Energy: 0.6044689695480822
Energy: 0.5846187889351873
Energy: 0.6044689695480822
Energy: 0.5846187889351873
Energy: 0.6044689695480822
Energy: 0.6935592375541658
Energy: 0.5702049014244689
Energy: 0.6935592375541658
Energy: 0.5702049014238763
Energy: 0.6935592375541658
Energy: 0.5702049014244689
Energy: 0.6841191980838245
Energy: 0.5350693981960936
Energy: 0.6841191980838245
Energy: 0.5350693981960936
Energy: 0.6841191980844169
Energy: 0.5350693981960936
Energy: 0.6536874984539115
Energy: 0.6419872242294146
Energy: 0.6536874984539115
Energy: 0.6419872242294146
Energy: 0.6536874984545041
Energy: 0.6419872242294146
Energy: 0.588149171171258
Energy: 0.5775569904144549
Energy: 0.588149171171258
Energy: 0.5775569904144549
Energy: 0.588149171171258
Energy: 0.5775569904144549
Energy: 0.6850682093907567
Energy: 0.5970330493370214
Energy: 0.6850682093907567
Energy: 0.5970330493364289
Energy: 0.6850682093901642
Energy: 0.5970330493370214

minimum gb energy = 0.5069256558681762 eV
minimum distance =  2.59425316683786 Angstroms
sigma value = 17


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

Energy: 0.6438731491365179
Energy: 0.5807127879483793
Energy: 0.6438731491365179
Energy: 0.5807127879483793
Energy: 0.6438731491365179
Energy: 0.5807127879483793
Energy: 0.5974419106707948
Energy: 0.6293698957037093
Energy: 0.5974419106707948
Energy: 0.6293698957037093
Energy: 0.5974419106707948
Energy: 0.6293698957037093
Energy: 0.5694218017571715
Energy: 0.6290152204849865
Energy: 0.5694218017571715
Energy: 0.6290152204849865
Energy: 0.5694218017571715
Energy: 0.6290152204849865
Energy: 0.6203085426603715
Energy: 0.6307449525054324
Energy: 0.6203085426603715
Energy: 0.6307449525062703
Energy: 0.6203085426603715
Energy: 0.6307449525062703
Energy: 0.6299356406258791
Energy: 0.6230830244484626
Energy: 0.6299356406258791
Energy: 0.6230830244484626
Energy: 0.6299356406258791
Energy: 0.6230830244484626
Energy: 0.608474180632153
Energy: 0.6624591184686238
Energy: 0.6084741806313151
Energy: 0.6624591184686238
Energy: 0.608474180632153
Energy: 0.6624591184686238
Energy: 0.6711244801839894
Energy: 0.5731767890805287
Energy: 0.6711244801848274
Energy: 0.5731767890805287
Energy: 0.6711244801848274
Energy: 0.5731767890805287
Energy: 0.6018174067909254
Energy: 0.6274957368020264
Energy: 0.6018174067909254
Energy: 0.6274957368020264
Energy: 0.6018174067909254
Energy: 0.6274957368020264
Energy: 0.5520821101299503
Energy: 0.6001698979442728
Energy: 0.5520821101299503
Energy: 0.6001698979442728
Energy: 0.5520821101299503
Energy: 0.6001698979442728
Energy: 0.6062184383454502
Energy: 0.5972083342333014
Energy: 0.6062184383454502
Energy: 0.5972083342333014
Energy: 0.6062184383454502
Energy: 0.5972083342333014
Energy: 0.6589020975989631
Energy: 0.5713251525993143
Energy: 0.6589020975989631
Energy: 0.5713251525993143
Energy: 0.6589020975981252
Energy: 0.5713251525993143
Energy: 0.6130564875031295
Energy: 0.614553534334758
Energy: 0.6130564875031295
Energy: 0.614553534334758
Energy: 0.6130564875031295
Energy: 0.614553534334758
Energy: 0.5721674996817943
Energy: 0.6324951734694241
Energy: 0.5721674996817943
Energy: 0.6324951734694241
Energy: 0.5721674996817943
Energy: 0.6324951734685861
Energy: 0.6059018694662166
Energy: 0.5659623602648577
Energy: 0.6059018694662166
Energy: 0.5659623602648577
Energy: 0.6059018694662166
Energy: 0.5659623602648577
Energy: 0.6222795926693883
Energy: 0.6091417007506634
Energy: 0.6222795926693883
Energy: 0.6091417007506634
Energy: 0.6222795926693883
Energy: 0.6091417007506634
Energy: 0.59812899946536
Energy: 0.6644555362963295
Energy: 0.59812899946536
Energy: 0.6644555362963295
Energy: 0.59812899946536
Energy: 0.6644555362963295
Energy: 0.6032429945855308
Energy: 0.5677492414136696
Energy: 0.6032429945855308
Energy: 0.5677492414136696
Energy: 0.6032429945855308
Energy: 0.5677492414136696

minimum gb energy = 0.5520821101299503 eV
minimum distance =  2.61711161225698 Angstroms
sigma value = 17


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

Energy: 0.6116565714118096
Energy: 0.5584931514743287
Energy: 0.6116565714121333
Energy: 0.5584931514743287
Energy: 0.6116565714121333
Energy: 0.5584931514743287
Energy: 0.5664568552546014
Energy: 0.5918353226944304
Energy: 0.5664568552546014
Energy: 0.5918353226941069
Energy: 0.5664568552546014
Energy: 0.5918353226941069
Energy: 0.520714912738568
Energy: 0.5820264413041484
Energy: 0.520714912738568
Energy: 0.5820264413038247
Energy: 0.520714912738568
Energy: 0.5820264413035012
Energy: 0.5844084985514784
Energy: 0.536627013279046
Energy: 0.5844084985514784
Energy: 0.5366270132787224
Energy: 0.5844084985514784
Energy: 0.536627013279046
Energy: 0.6361411605421472
Energy: 0.569143989187035
Energy: 0.6361411605421472
Energy: 0.569143989187035
Energy: 0.6361411605424707
Energy: 0.569143989187035
Energy: 0.5215512224262931
Energy: 0.5248810622582353
Energy: 0.5215512224262931
Energy: 0.5248810622582353
Energy: 0.5215512224262931
Energy: 0.5248810622582353
Energy: 0.6625765069128375
Energy: 0.5534783091213117
Energy: 0.6625765069128375
Energy: 0.5534783091213117
Energy: 0.6625765069131611
Energy: 0.5534783091213117
Energy: 0.5988979113395706
Energy: 0.5839044393982101
Energy: 0.598897911339247
Energy: 0.5839044393982101
Energy: 0.598897911339247
Energy: 0.5839044393982101
Energy: 0.5601305637661357
Energy: 0.5972189547496546
Energy: 0.5601305637661357
Energy: 0.597218954749331
Energy: 0.5601305637661357
Energy: 0.5972189547496546
Energy: 0.5566914059716254
Energy: 0.47727389996037495
Energy: 0.556691405971949
Energy: 0.47727389996037495
Energy: 0.5566914059716254
Energy: 0.4772738999600514
Energy: 0.5938638175994259
Energy: 0.5903233636540973
Energy: 0.5938638175994259
Energy: 0.5903233636540973
Energy: 0.5938638175994259
Energy: 0.5903233636540973
Energy: 0.5310880890425485
Energy: 0.5983173461968921
Energy: 0.5310880890425485
Energy: 0.5983173461968921
Energy: 0.5310880890425485
Energy: 0.5983173461968921
Energy: 0.6072669398700704
Energy: 0.5634681283247631
Energy: 0.6072669398707176
Energy: 0.5634681283250867
Energy: 0.607266939870394
Energy: 0.5634681283250867
Energy: 0.6328545466356771
Energy: 0.5321246596717201
Energy: 0.6328545466356771
Energy: 0.5321246596717201
Energy: 0.6328545466356771
Energy: 0.5321246596717201
Energy: 0.6007612752474039
Energy: 0.5950853652624609
Energy: 0.6007612752474039
Energy: 0.5950853652624609
Energy: 0.6007612752474039
Energy: 0.5950853652621374
Energy: 0.5550380059226044
Energy: 0.597616135121191
Energy: 0.5550380059226044
Energy: 0.5803393276641742
Energy: 0.5550380059226044
Energy: 0.5803393276641742
Energy: 0.5557999896548383
Energy: 0.512786023082045
Energy: 0.5557999896548383
Energy: 0.512786023082045
Energy: 0.5557999896548383
Energy: 0.5127860230823686
Energy: 0.6122979364664756
Energy: 0.5709607797496145
Energy: 0.6122979364664756
Energy: 0.570960779749938
Energy: 0.6122979364664756
Energy: 0.5709607797496145
Energy: 0.5629382751964285
Energy: 0.5963845595804173
Energy: 0.5629382751964285
Energy: 0.5963845595800936
Energy: 0.5629382751967521
Energy: 0.5963845595800936
Energy: 0.555015089620987
Energy: 0.5046452707093384
Energy: 0.555015089620987
Energy: 0.5046452707093384
Energy: 0.555015089620987
Energy: 0.5046452707093384
Energy: 0.5633645162941016
Energy: 0.5965583670049446
Energy: 0.5633645162941016
Energy: 0.5965583670052682
Energy: 0.5633645162941016
Energy: 0.5965583670052682
Energy: 0.6124708261172022
Energy: 0.5709591300420991
Energy: 0.6124708261172022
Energy: 0.5709591300420991
Energy: 0.6124708261172022
Energy: 0.5709591300417755
Energy: 0.5559039610731418
Energy: 0.5126452950340857
Energy: 0.5559039610731418
Energy: 0.5126452950340857
Energy: 0.5559039610731418
Energy: 0.5126452950337622
Energy: 0.5549604224160695
Energy: 0.6098099157339752
Energy: 0.5549604224160695
Energy: 0.6098099157336517
Energy: 0.5549604224160695
Energy: 0.6098099157342989
Energy: 0.6007506451950624
Energy: 0.5951211666168115
Energy: 0.600750645195386
Energy: 0.5951211666168115
Energy: 0.600750645195386
Energy: 0.5951211666168115
Energy: 0.6328811550743795
Energy: 0.5319830087695462
Energy: 0.6328811550747031
Energy: 0.5319830087698698
Energy: 0.6328811550743795
Energy: 0.5319830087698698
Energy: 0.6072586333253565
Energy: 0.5429321569666571
Energy: 0.6072586333260036
Energy: 0.5429321569669807
Energy: 0.6072586333260036
Energy: 0.5429321569669807
Energy: 0.5308599417320751
Energy: 0.5982585702230218
Energy: 0.5308599417323986
Energy: 0.5982585702230218
Energy: 0.5308599417320751
Energy: 0.5982585702230218
Energy: 0.5938807238666992
Energy: 0.590358156551871
Energy: 0.5938807238666992
Energy: 0.5903581565521946
Energy: 0.5938807238663757
Energy: 0.590358156551871
Energy: 0.5566106849062
Energy: 0.5338272723543845
Energy: 0.5566106849062
Energy: 0.5338272723543845
Energy: 0.5566106849065237
Energy: 0.5338272723547081
Energy: 0.5601317151558767
Energy: 0.5972109920657563
Energy: 0.5601317151558767
Energy: 0.5972109920657563
Energy: 0.5601317151558767
Energy: 0.5972109920657563
Energy: 0.5989890583806123
Energy: 0.6120879371784966
Energy: 0.5989890583806123
Energy: 0.6120879371784966
Energy: 0.5989890583806123
Energy: 0.6120879371784966
Energy: 0.6627417752318244
Energy: 0.5535008085747845
Energy: 0.6627417752318244
Energy: 0.5535008085744608
Energy: 0.6627417752318244
Energy: 0.5535008085751081
Energy: 0.5216470895617309
Energy: 0.4961957687499208
Energy: 0.5216470895614073
Energy: 0.49619576874959714
Energy: 0.5216470895617309
Energy: 0.4961957687499208
Energy: 0.636324834701527
Energy: 0.5691326631803391
Energy: 0.6363248347018505
Energy: 0.5691326631806627
Energy: 0.636324834701527
Energy: 0.5691326631806627
Energy: 0.5844703678825103
Energy: 0.5283424681327012
Energy: 0.5844703678828338
Energy: 0.5283424681330249
Energy: 0.5844703678828338
Energy: 0.5283424681330249
Energy: 0.5208651102053281
Energy: 0.5820068138046766
Energy: 0.5208651102053281
Energy: 0.5820068138043529
Energy: 0.5208651102053281
Energy: 0.5820068138043529
Energy: 0.5665437584896266
Energy: 0.5612754390456333
Energy: 0.5665437584896266
Energy: 0.5612754390466042
Energy: 0.5665437584896266
Energy: 0.5612754390466042
Energy: 0.6116565714118096
Energy: 0.5584931514743287
Energy: 0.6116565714121333
Energy: 0.5584931514746523
Energy: 0.6116565714121333
Energy: 0.5584931514743287
Energy: 0.5664568552546014
Energy: 0.5854948374100651
Energy: 0.5664568552546014
Energy: 0.5854948374097416
Energy: 0.5664568552546014
Energy: 0.5854948374097416
Energy: 0.5207149127388916
Energy: 0.5820264413038247
Energy: 0.5207149127388916
Energy: 0.5820264413038247
Energy: 0.5207149127388916
Energy: 0.5820264413038247
Energy: 0.5844084985514784
Energy: 0.5314472914899786
Energy: 0.5844084985514784
Energy: 0.5314472914903022
Energy: 0.5844084985518019
Energy: 0.5314472914899786
Energy: 0.6361411605418236
Energy: 0.5691439891873586
Energy: 0.6361411605421472
Energy: 0.5691439891873586
Energy: 0.6361411605418236
Energy: 0.5691439891873586

minimum gb energy = 0.4772738999600514 eV
minimum distance =  2.54978231010039 Angstroms
sigma value = 57


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

Energy: 0.583745382643956
Energy: 0.542376709039017
Energy: 0.5837453826444831
Energy: 0.5423767090384901
Energy: 0.583745382643956
Energy: 0.542376709039017
Energy: 0.5237514658054768
Energy: 0.5277625005796344
Energy: 0.5237514658054768
Energy: 0.5277625005796344
Energy: 0.5237514658054768
Energy: 0.5277625005796344
Energy: 0.4992391768367556
Energy: 0.5243460698788643
Energy: 0.4992391768372824
Energy: 0.5243460698788643
Energy: 0.4992391768372824
Energy: 0.5243460698788643
Energy: 0.5539909382545838
Energy: 0.4980921298259475
Energy: 0.5539909382545838
Energy: 0.4980921298259475
Energy: 0.5539909382545838
Energy: 0.4980921298259475
Energy: 0.5747374111813068
Energy: 0.5107158105293841
Energy: 0.5747374111813068
Energy: 0.5107158105288573
Energy: 0.5747374111813068
Energy: 0.5107158105288573
Energy: 0.487748453494903
Energy: 0.4702527340619053
Energy: 0.487748453494903
Energy: 0.47025273406137835
Energy: 0.487748453494903
Energy: 0.47025273406137835
Energy: 0.5572627066171678
Energy: 0.5222915892593112
Energy: 0.5572627066171678
Energy: 0.5222915892593112
Energy: 0.5572627066171678
Energy: 0.5222915892593112
Energy: 0.5611578047044923
Energy: 0.5706785475240426
Energy: 0.5611578047044923
Energy: 0.5706785475235157
Energy: 0.5611578047050191
Energy: 0.5706785475235157
Energy: 0.5085251558618984
Energy: 0.5103286007280163
Energy: 0.5085251558618984
Energy: 0.5103286007274895
Energy: 0.5085251558618984
Energy: 0.5103286007274895
Energy: 0.550006463431328
Energy: 0.4691592853185423
Energy: 0.550006463431328
Energy: 0.469159285320123
Energy: 0.550006463431328
Energy: 0.46915928531906925
Energy: 0.5573449497125117
Energy: 0.5602411303888197
Energy: 0.5573449497125117
Energy: 0.5602411303882929
Energy: 0.5573449497130387
Energy: 0.5602411303888197
Energy: 0.4849855744611051
Energy: 0.5640160135230466
Energy: 0.4849855744611051
Energy: 0.5640160135230466
Energy: 0.4849855744611051
Energy: 0.5640160135230466
Energy: 0.5458430119349104
Energy: 0.50729922344638
Energy: 0.5458430119349104
Energy: 0.507299223445853
Energy: 0.5458430119349104
Energy: 0.50729922344638
Energy: 0.5690227042417692
Energy: 0.5187111383786841
Energy: 0.5690227042417692
Energy: 0.5187111383781571
Energy: 0.5690227042422961
Energy: 0.5187111383781571
Energy: 0.5018124144829178
Energy: 0.5759397470389702
Energy: 0.5018124144829178
Energy: 0.5759397470389702
Energy: 0.5018124144829178
Energy: 0.5759397470394971
Energy: 0.5602903132035455
Energy: 0.5247855655025331
Energy: 0.5602903132030186
Energy: 0.5247855655020062
Energy: 0.5602903132035455
Energy: 0.5247855655025331
Energy: 0.6104494005687365
Energy: 0.5098622279584091
Energy: 0.6104494005687365
Energy: 0.5098622279584091
Energy: 0.6104494005692634
Energy: 0.5098622279584091
Energy: 0.5723007747738024
Energy: 0.5722396027480856
Energy: 0.5723007747743292
Energy: 0.5722396027480856
Energy: 0.5723007747743292
Energy: 0.5722396027475588
Energy: 0.523597981386778
Energy: 0.5499748093836755
Energy: 0.523597981386778
Energy: 0.5499748093836755
Energy: 0.523597981386778
Energy: 0.5499748093836755
Energy: 0.5341896751258227
Energy: 0.49212626313222646
Energy: 0.5341896751258227
Energy: 0.49212626313222646
Energy: 0.5341896751263496
Energy: 0.49212626313222646
Energy: 0.5715683399164699
Energy: 0.5420232661459784
Energy: 0.5715683399164699
Energy: 0.5420232661459784
Energy: 0.5715683399159431
Energy: 0.5420232661459784
Energy: 0.4997687311978367
Energy: 0.5566706215525786
Energy: 0.4997687311978367
Energy: 0.5566706215525786
Energy: 0.4997687311978367
Energy: 0.5566706215525786
Energy: 0.48443653236162765
Energy: 0.4799657230707233
Energy: 0.4844365323611008
Energy: 0.4799657230707233
Energy: 0.48443653236162765
Energy: 0.4799657230712502
Energy: 0.525502067212111
Energy: 0.6123652537277737
Energy: 0.5255020672115841
Energy: 0.6123652537277737
Energy: 0.5255020672115841
Energy: 0.6123652537272467
Energy: 0.5671891981632139
Energy: 0.5438207697667214
Energy: 0.5671891981632139
Energy: 0.5438207697667214
Energy: 0.5671891981632139
Energy: 0.5438207697661945
Energy: 0.5407373150381058
Energy: 0.47971981824721666
Energy: 0.5407373150381058
Energy: 0.47971981824774357
Energy: 0.5407373150381058
Energy: 0.47971981824774357
Energy: 0.5017438640264761
Energy: 0.571014913703055
Energy: 0.5017438640259492
Energy: 0.571014913703055
Energy: 0.5017438640259492
Energy: 0.571014913703055

minimum gb energy = 0.4691592853185423 eV
minimum distance =  2.58138125924465 Angstroms
sigma value = 43


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

Energy: 0.542567322827199
Energy: 0.4281164905430275
Energy: 0.5425673228275828
Energy: 0.4281164905426436
Energy: 0.542567322827199
Energy: 0.4281164905426436
Energy: 0.46096074516197755
Energy: 0.4729543086794313
Energy: 0.46096074516197755
Energy: 0.47295430867904736
Energy: 0.46096074516197755
Energy: 0.47295430867904736
Energy: 0.44099966712750055
Energy: 0.47309105981251814
Energy: 0.44099966712788446
Energy: 0.4730910598121343
Energy: 0.44099966712750055
Energy: 0.47309105981251814
Energy: 0.5252014159514259
Energy: 0.43305702731328066
Energy: 0.5252014159518097
Energy: 0.43305702731366463
Energy: 0.525201415951042
Energy: 0.43305702731328066
Energy: 0.49566309179688894
Energy: 0.4660492114899804
Energy: 0.49566309179688894
Energy: 0.4660492114895965
Energy: 0.49566309179688894
Energy: 0.4660492114899804
Energy: 0.42800687784158437
Energy: 0.45580984582188266
Energy: 0.42800687784158437
Energy: 0.4558098458222666
Energy: 0.42800687784120056
Energy: 0.4558098458222666
Energy: 0.5041676336968979
Energy: 0.45129375118594206
Energy: 0.5041676336968979
Energy: 0.45129375118632603
Energy: 0.5041676336968979
Energy: 0.45129375118632603
Energy: 0.518666381050865
Energy: 0.5047716136772235
Energy: 0.518666381050865
Energy: 0.5047716136772235
Energy: 0.518666381050865
Energy: 0.5047716136772235
Energy: 0.4235829800600899
Energy: 0.45444487875385836
Energy: 0.4235829800600899
Energy: 0.45444487875385836
Energy: 0.4235829800600899
Energy: 0.45444487875385836
Energy: 0.47147905059568707
Energy: 0.4463366911559803
Energy: 0.47147905059568707
Energy: 0.4463366911559803
Energy: 0.47147905059568707
Energy: 0.4463366911559803
Energy: 0.5005253845186264
Energy: 0.48625001412905994
Energy: 0.5005253845186264
Energy: 0.48625001412905994
Energy: 0.5005253845186264
Energy: 0.48625001412905994
Energy: 0.4408755955947621
Energy: 0.47340039164101794
Energy: 0.4408755955951459
Energy: 0.47340039164140185
Energy: 0.4408755955951459
Energy: 0.47340039164140185
Energy: 0.4716791505622274
Energy: 0.43810701922962597
Energy: 0.4716791505622274
Energy: 0.43810701922962597
Energy: 0.47167915056184345
Energy: 0.43810701922962597
Energy: 0.49463027399004783
Energy: 0.4953541699438362
Energy: 0.49463027399004783
Energy: 0.4953541699438362
Energy: 0.49463027399004783
Energy: 0.4953541699438362
Energy: 0.4457576928651597
Energy: 0.4720567429158405
Energy: 0.4457576928655437
Energy: 0.4720567429154566
Energy: 0.4457576928655437
Energy: 0.4720567429158405
Energy: 0.48392566066110443
Energy: 0.4328574418255391
Energy: 0.48392566066110443
Energy: 0.4328574418255391
Energy: 0.4839256606607205
Energy: 0.4328574418255391
Energy: 0.5072159409416617
Energy: 0.4943862562737586
Energy: 0.5072159409412778
Energy: 0.49438625627414245
Energy: 0.5072159409416617
Energy: 0.4943862562737586
Energy: 0.42804549315516344
Energy: 0.5230443709490669
Energy: 0.4280454931548144
Energy: 0.5230443709490669
Energy: 0.42804549315516344
Energy: 0.523044370948683
Energy: 0.4570647655835735
Energy: 0.44796204001629447
Energy: 0.4570647655835735
Energy: 0.44796204001629447
Energy: 0.4570647655835735
Energy: 0.44796204001629447
Energy: 0.4803614652387617
Energy: 0.49670538774806355
Energy: 0.4803614652387617
Energy: 0.49670538774806355
Energy: 0.4803614652387617
Energy: 0.49670538774806355
Energy: 0.4401697764718804
Energy: 0.5430156102080793
Energy: 0.4401697764718804
Energy: 0.5430156102080793
Energy: 0.4401697764718804
Energy: 0.5430156102080793
Energy: 0.4858690469790457
Energy: 0.4616242886496757
Energy: 0.48586904697866173
Energy: 0.46162428864929184
Energy: 0.48586904697866173
Energy: 0.46162428864929184
Energy: 0.47481488560663737
Energy: 0.44845845833968223
Energy: 0.4748148856070212
Energy: 0.44845845833968223
Energy: 0.4748148856070212
Energy: 0.44845845833968223
Energy: 0.5110746111647297
Energy: 0.5332610938717632
Energy: 0.5110746111647297
Energy: 0.5332610938717632
Energy: 0.5110746111647297
Energy: 0.5332610938717632
Energy: 0.4612584617047677
Energy: 0.45140848572600656
Energy: 0.4612584617047677
Energy: 0.45140848572600656
Energy: 0.4612584617047677
Energy: 0.45140848572600656
Energy: 0.5006762380419014
Energy: 0.4347897258412828
Energy: 0.5006762380419014
Energy: 0.4347897258412828
Energy: 0.5006762380419014
Energy: 0.4347897258412828
Energy: 0.4290368612829072
Energy: 0.5090006321079771
Energy: 0.4290368612829072
Energy: 0.5090006321083609
Energy: 0.4290368612829072
Energy: 0.5090006321083609
Energy: 0.45293061526045036
Energy: 0.5041139267479119
Energy: 0.45293061526045036
Energy: 0.5041139267479119
Energy: 0.45293061526045036
Energy: 0.5041139267479119
Energy: 0.49220371897637205
Energy: 0.41803052070122126
Energy: 0.49220371897637205
Energy: 0.41803052070122126
Energy: 0.49220371897637205
Energy: 0.41803052070083735
Energy: 0.4408516692519102
Energy: 0.48925302319199976
Energy: 0.4408516692519102
Energy: 0.48925302319199976
Energy: 0.4408516692519102
Energy: 0.48925302319199976
Energy: 0.4551656108914928
Energy: 0.5148368525749312
Energy: 0.4551656108918766
Energy: 0.5148368525749312
Energy: 0.4551656108918766
Energy: 0.5148368525753151
Energy: 0.49286117169038657
Energy: 0.4139783766367904
Energy: 0.49286117169038657
Energy: 0.4139783766367904
Energy: 0.49286117169038657
Energy: 0.4139783766367904
Energy: 0.4070967904644687
Energy: 0.5387970833372937
Energy: 0.40709679046485253
Energy: 0.5387970833372937
Energy: 0.4070967904644687
Energy: 0.5387970833376776
Energy: 0.4861249768240944
Energy: 0.496116021785783
Energy: 0.4861249768240944
Energy: 0.496116021785783
Energy: 0.4861249768240944
Energy: 0.496116021785783
Energy: 0.4603321365263699
Energy: 0.4343567601311023
Energy: 0.4603321365263699
Energy: 0.4343567601311023
Energy: 0.460332136525986
Energy: 0.4343567601307184
Energy: 0.4271727374172787
Energy: 0.4631225475302776
Energy: 0.4271727374172787
Energy: 0.4631225475302776
Energy: 0.4271727374172787
Energy: 0.4631225475298937

minimum gb energy = 0.4070967904644687 eV
minimum distance =  2.57441298858752 Angstroms
sigma value = 81


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

Energy: 0.10429161248906463
Energy: 0.13049961680761252
Energy: 0.10429161248948138
Energy: 0.13049961680775676
Energy: 0.10429161248948138
Energy: 0.1304996168074843
Energy: 0.268928933214263
Energy: 0.19487577165162642
Energy: 0.268928933214263
Energy: 0.19487577165148215
Energy: 0.26892893321411876
Energy: 0.19487577165148215
Energy: 0.2688492978331741
Energy: 0.1945066179420217
Energy: 0.2688492978330298
Energy: 0.1945066179420217
Energy: 0.2688492978331741
Energy: 0.1945066179420217
Energy: 0.10429161248933712
Energy: 0.1304996168074843
Energy: 0.10429161248933712
Energy: 0.13049961680761252
Energy: 0.10429161248948138
Energy: 0.1304996168074843
Energy: 0.26892893321411876
Energy: 0.19487577165135395
Energy: 0.26892893321411876
Energy: 0.19487577165135395
Energy: 0.26892893321411876
Energy: 0.19487577165120967
Energy: 0.2688492978333183
Energy: 0.19450661794173318
Energy: 0.2688492978328856
Energy: 0.19450661794173318
Energy: 0.2688492978333183
Energy: 0.19450661794173318
Energy: 0.10429161248919286
Energy: 0.1304996168074843
Energy: 0.10429161248933712
Energy: 0.1304996168074843
Energy: 0.10429161248948138
Energy: 0.13049961680775676
Energy: 0.26892893321411876
Energy: 0.19487577165135395
Energy: 0.2689289332139745
Energy: 0.19487577165106543
Energy: 0.268928933214263
Energy: 0.19487577165135395
Energy: 0.2688492978327413
Energy: 0.19450661794187743
Energy: 0.2688492978333183
Energy: 0.19450661794173318
Energy: 0.2688492978326131
Energy: 0.19450661794187743
Energy: 0.10429161248933712
Energy: 0.1304996168071958
Energy: 0.10429161248919286
Energy: 0.13049961680775676
Energy: 0.10429161248948138
Energy: 0.1304996168074843

minimum gb energy = 0.10429161248906463 eV
minimum distance =  2.83763899743694 Angstroms
sigma value = 3


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

Energy: 0.4822209406719186
Energy: 0.48917285734382904
Energy: 0.48222094067149657
Energy: 0.48917285734382904
Energy: 0.4822209406719186
Energy: 0.48917285734382904
Energy: 0.46809056957635714
Energy: 0.45351595302621184
Energy: 0.46809056957635714
Energy: 0.45351595302621184
Energy: 0.46809056957635714
Energy: 0.45351595302621184
Energy: 0.4862016099192702
Energy: 0.4591658723244766
Energy: 0.4763136503397971
Energy: 0.45916587232405454
Energy: 0.4763136503397971
Energy: 0.45916587232405454
Energy: 0.4742373164675576
Energy: 0.4423745242868423
Energy: 0.4742373164675576
Energy: 0.4423745242872644
Energy: 0.4742373164675576
Energy: 0.4423745242868423
Energy: 0.39883968121726326
Energy: 0.48897946155162675
Energy: 0.39883968121726326
Energy: 0.4889794615512047
Energy: 0.39883968121684116
Energy: 0.4889794615512047
Energy: 0.49677990769468405
Energy: 0.4490661081892744
Energy: 0.49677990769468405
Energy: 0.4490661081892744
Energy: 0.49677990769468405
Energy: 0.4490661081892744
Energy: 0.45869342056396945
Energy: 0.44664294304560986
Energy: 0.45869342056396945
Energy: 0.44664294304560986
Energy: 0.45869342056396945
Energy: 0.44664294304560986
Energy: 0.4371510900413362
Energy: 0.47116544881919287
Energy: 0.4371510900413362
Energy: 0.47116544881919287
Energy: 0.4371510900413362
Energy: 0.47116544881919287
Energy: 0.4656785290737418
Energy: 0.4625240076534139
Energy: 0.4656785290737418
Energy: 0.4625240076534139
Energy: 0.4656785290737418
Energy: 0.4625240076534139
Energy: 0.48858264860703077
Energy: 0.427193210143466
Energy: 0.48858264860703077
Energy: 0.427193210143466
Energy: 0.48858264860703077
Energy: 0.427193210143466
Energy: 0.40591227544692593
Energy: 0.4702912984768237
Energy: 0.40591227544692593
Energy: 0.4702912984772458
Energy: 0.4059122754465039
Energy: 0.4702912984768237
Energy: 0.46135284253518344
Energy: 0.478794713287308
Energy: 0.46135284253518344
Energy: 0.478794713287308
Energy: 0.46135284253518344
Energy: 0.478794713287308
Energy: 0.47794190205097087
Energy: 0.396164316517424
Energy: 0.47794190205097087
Energy: 0.396164316517424
Energy: 0.47794190205097087
Energy: 0.3961643165170019
Energy: 0.4094620693298824
Energy: 0.45735069807957596
Energy: 0.4094620693298824
Energy: 0.4573506980791539
Energy: 0.4094620693298824
Energy: 0.45735069807957596
Energy: 0.4464538031690311
Energy: 0.47726211902843446
Energy: 0.4464538031690311
Energy: 0.47726211902843446
Energy: 0.4464538031690311
Energy: 0.47726211902843446
Energy: 0.500446912357706
Energy: 0.44622130968987767
Energy: 0.500446912357706
Energy: 0.44622130968987767
Energy: 0.500446912357706
Energy: 0.44622130968987767
Energy: 0.45866454768335124
Energy: 0.4807455689722154
Energy: 0.45866454768335124
Energy: 0.4807455689726374
Energy: 0.45866454768335124
Energy: 0.48074556897305953
Energy: 0.4546760331769725
Energy: 0.4648920172822154
Energy: 0.4546760331769725
Energy: 0.4648920172822154
Energy: 0.4546760331773946
Energy: 0.4648920172822154
Energy: 0.4489160394654008
Energy: 0.4515626620451735
Energy: 0.4489160394654008
Energy: 0.45156266204559564
Energy: 0.4489160394654008
Energy: 0.45156266204559564
Energy: 0.4686637393856684
Energy: 0.48784771612641203
Energy: 0.4686637393856684
Energy: 0.48784771612641203
Energy: 0.4686637393856684
Energy: 0.48784771612641203
Energy: 0.47270963237435426
Energy: 0.4473076001999825
Energy: 0.47270963237435426
Energy: 0.4473076001999825
Energy: 0.47270963237477637
Energy: 0.4473076001999825
Energy: 0.4674607059120876
Energy: 0.45041592295541866
Energy: 0.4674607059120876
Energy: 0.45041592295584076
Energy: 0.4674607059120876
Energy: 0.45041592295584076
Energy: 0.4455266389630609
Energy: 0.48484731186764884
Energy: 0.4455266389630609
Energy: 0.48484731186764884
Energy: 0.4455266389630609
Energy: 0.48484731186764884
Energy: 0.4527593733287857
Energy: 0.42839146423796415
Energy: 0.4527593733287857
Energy: 0.42839146423796415
Energy: 0.4527593733287857
Energy: 0.42839146423796415
Energy: 0.4731359398045599
Energy: 0.48051598070122403
Energy: 0.4731359398045599
Energy: 0.48051598070122403
Energy: 0.4731359398045599
Energy: 0.48051598070122403
Energy: 0.4213137210584193
Energy: 0.4649411672723081
Energy: 0.4213137210584193
Energy: 0.4649411672723081
Energy: 0.4213137210584193
Energy: 0.4649411672723081
Energy: 0.5060925817941542
Energy: 0.42620847934460704
Energy: 0.5060925817945763
Energy: 0.42620847934460704
Energy: 0.5060925817945763
Energy: 0.426208479344185
Energy: 0.4590742601927983
Energy: 0.46264279330138225
Energy: 0.4590742601927983
Energy: 0.46264279330180424
Energy: 0.4590742601927983
Energy: 0.46264279330138225
Energy: 0.4046816386635317
Energy: 0.4999360170794818
Energy: 0.4046816386635317
Energy: 0.4999360170794818
Energy: 0.4046816386635317
Energy: 0.4999360170794818
Energy: 0.5104245575482179
Energy: 0.4355609467072587
Energy: 0.5104245575482179
Energy: 0.4355609467076808
Energy: 0.5104245575477959
Energy: 0.4355609467076808
Energy: 0.48148438465223187
Energy: 0.46332347190217316
Energy: 0.48148438465223187
Energy: 0.46332347190217316
Energy: 0.48148438465223187
Energy: 0.46332347190217316
Energy: 0.437906814504837
Energy: 0.4494087650610058
Energy: 0.437906814504837
Energy: 0.4494087650610058
Energy: 0.437906814504837
Energy: 0.4494087650610058
Energy: 0.45074128441384714
Energy: 0.4406936391499576
Energy: 0.45074128441384714
Energy: 0.4406936391499576
Energy: 0.45074128441384714
Energy: 0.4406936391499576

minimum gb energy = 0.3961643165170019 eV
minimum distance =  2.6056784997948 Angstroms
sigma value = 67


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

Energy: 0.5574588572759083
Energy: 0.5302326118278226
Energy: 0.5574588572759083
Energy: 0.5302326118278226
Energy: 0.5574588572759083
Energy: 0.5302326118278226
Energy: 0.5046378656943553
Energy: 0.5185194870559734
Energy: 0.5046378656943553
Energy: 0.5185194870553719
Energy: 0.5046378656937538
Energy: 0.5185194870553719
Energy: 0.5544532217326026
Energy: 0.5105135598716395
Energy: 0.554453221733204
Energy: 0.5105135598716395
Energy: 0.554453221733204
Energy: 0.510513559872241
Energy: 0.5240030316651192
Energy: 0.48978383556708394
Energy: 0.5240030316651192
Energy: 0.48978383556708394
Energy: 0.5240030316651192
Energy: 0.48978383556708394
Energy: 0.5135462423775788
Energy: 0.5306568069500244
Energy: 0.5135462423775788
Energy: 0.5306568069500244
Energy: 0.5135462423775788
Energy: 0.5306568069500244
Energy: 0.5346356773380243
Energy: 0.518828084412336
Energy: 0.5346356773380243
Energy: 0.518828084412336
Energy: 0.5346356773380243
Energy: 0.518828084412336
Energy: 0.5702660369388602
Energy: 0.4796562158577996
Energy: 0.5702660369388602
Energy: 0.4796562158577996
Energy: 0.5702660369388602
Energy: 0.47965621585719814
Energy: 0.5054044080911059
Energy: 0.55325104432762
Energy: 0.5054044080911059
Energy: 0.55325104432762
Energy: 0.5054044080911059
Energy: 0.5532510443270184
Energy: 0.5339902875621696
Energy: 0.5454190426585162
Energy: 0.5339902875621696
Energy: 0.5454190426585162
Energy: 0.5339902875621696
Energy: 0.5454190426585162
Energy: 0.5471615534972675
Energy: 0.5212997122174958
Energy: 0.547161553497869
Energy: 0.5212997122174958
Energy: 0.5471615534972675
Energy: 0.5212997122174958
Energy: 0.5087000661745863
Energy: 0.5480618577105425
Energy: 0.5087000661745863
Energy: 0.5480618577105425
Energy: 0.5087000661745863
Energy: 0.5480618577105425
Energy: 0.5030655791561077
Energy: 0.5719476584940469
Energy: 0.5030655791561077
Energy: 0.5719476584940469
Energy: 0.5030655791555061
Energy: 0.5719476584940469
Energy: 0.4985341406067006
Energy: 0.5172816438657848
Energy: 0.4985341406067006
Energy: 0.517281643864582
Energy: 0.49853414060609924
Energy: 0.517281643864582
Energy: 0.5298289649943255
Energy: 0.5503538919474414
Energy: 0.5298289649943255
Energy: 0.55035389194684
Energy: 0.5298289649943255
Energy: 0.5503538919474414
Energy: 0.5128843753957854
Energy: 0.5237408188531818
Energy: 0.5128843753957854
Energy: 0.5237408188531818
Energy: 0.5128843753957854
Energy: 0.5237408188531818
Energy: 0.5216925062100762
Energy: 0.5163142286346799
Energy: 0.5216925062100762
Energy: 0.5163142286346799
Energy: 0.5216925062100762
Energy: 0.5163142286346799
Energy: 0.49820236063379547
Energy: 0.5282681805902034
Energy: 0.4982023606343968
Energy: 0.5282681805902034
Energy: 0.4982023606343968
Energy: 0.5282681805902034
Energy: 0.5556434434984191
Energy: 0.48551053301362024
Energy: 0.5556434434984191
Energy: 0.48551053301362024
Energy: 0.5556434434984191
Energy: 0.48551053301362024
Energy: 0.5623247003604751
Energy: 0.5354574659567859
Energy: 0.5623247003604751
Energy: 0.5354574659567859
Energy: 0.5623247003598737
Energy: 0.5354574659567859
Energy: 0.5247074820393256
Energy: 0.5646468441843708
Energy: 0.5247074820393256
Energy: 0.5646468441843708
Energy: 0.5247074820393256
Energy: 0.5646468441843708
Energy: 0.5318694641299725
Energy: 0.5051226806670321
Energy: 0.5318694641299725
Energy: 0.5051226806670321
Energy: 0.5318694641299725
Energy: 0.5051226806670321
Energy: 0.5270708192884553
Energy: 0.5526346591281972
Energy: 0.5270708192884553
Energy: 0.5526346591281972
Energy: 0.5270708192884553
Energy: 0.5526346591281972
Energy: 0.4837908364985712
Energy: 0.5159774432734704
Energy: 0.48379083649917254
Energy: 0.5159774432734704
Energy: 0.48379083649917254
Energy: 0.5159774432734704

minimum gb energy = 0.47965621585719814 eV
minimum distance =  2.6575016486492 Angstroms
sigma value = 33


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

Energy: 0.597363968748312
Energy: 0.5428914056784947
Energy: 0.5973639687486935
Energy: 0.5428914056781131
Energy: 0.5973639687486935
Energy: 0.5428914056784947
Energy: 0.5360145440353699
Energy: 0.5704373933033525
Energy: 0.5360145440353699
Energy: 0.5704373933033525
Energy: 0.5360145440349883
Energy: 0.5704373933033525
Energy: 0.5938491121275582
Energy: 0.5534453382498108
Energy: 0.5938491121275582
Energy: 0.5534453382498108
Energy: 0.5938491121279397
Energy: 0.5534453382494292
Energy: 0.5469753694509474
Energy: 0.5292956203159944
Energy: 0.5469753694509474
Energy: 0.5292956203159944
Energy: 0.5469753694509474
Energy: 0.529295620316376
Energy: 0.5304508939623351
Energy: 0.5504991986192289
Energy: 0.5304508939623351
Energy: 0.5504991986192289
Energy: 0.5304508939623351
Energy: 0.5504991986192289
Energy: 0.5902994063115472
Energy: 0.5694075519724598
Energy: 0.5902994063111656
Energy: 0.5736442289247212
Energy: 0.5902994063115472
Energy: 0.5736442289247212
Energy: 0.5782419790948461
Energy: 0.591956997161866
Energy: 0.5782419790952277
Energy: 0.5919569971614846
Energy: 0.5782419790952277
Energy: 0.5919569971614846
Energy: 0.5450064428636591
Energy: 0.5585842451416878
Energy: 0.5450064428636591
Energy: 0.5585842451416878
Energy: 0.5450064428636591
Energy: 0.5585842451416878
Energy: 0.5394670123659853
Energy: 0.622988732199945
Energy: 0.5394670123659853
Energy: 0.6229887322003266
Energy: 0.5394670123659853
Energy: 0.622988732199945
Energy: 0.6003356865038026
Energy: 0.5998427361197866
Energy: 0.6003356865060919
Energy: 0.5759418831617188
Energy: 0.6003356865049473
Energy: 0.5759418831617188
Energy: 0.5653432627822788
Energy: 0.5700783182094042
Energy: 0.5653432627826602
Energy: 0.5700783182094042
Energy: 0.5653432627822788
Energy: 0.5700783182094042
Energy: 0.5314691531436556
Energy: 0.5420226437761388
Energy: 0.5314691531436556
Energy: 0.5420226437761388
Energy: 0.5314691531436556
Energy: 0.5420226437761388
Energy: 0.6105837223717976
Energy: 0.5387238030456488
Energy: 0.6105837223695083
Energy: 0.5387238030456488
Energy: 0.6105837223717976
Energy: 0.5387238030456488
Energy: 0.54171200502504
Energy: 0.5751076464469047
Energy: 0.5417120050254215
Energy: 0.5751076464469047
Energy: 0.5417120050254215
Energy: 0.5751076464469047
Energy: 0.572515855928918
Energy: 0.56137231371139
Energy: 0.572515855928918
Energy: 0.5613723137110084
Energy: 0.572515855928918
Energy: 0.5613723137110084
Energy: 0.5529603925851968
Energy: 0.5625732117540089
Energy: 0.5529603925851968
Energy: 0.5625732117540089
Energy: 0.5529603925855784
Energy: 0.5625732117540089
Energy: 0.5776054551714671
Energy: 0.5870899172817969
Energy: 0.5776054551710855
Energy: 0.5870899172817969
Energy: 0.5776054551714671
Energy: 0.5870899172817969
Energy: 0.6287700024041052
Energy: 0.5776115677772056
Energy: 0.6287700024044867
Energy: 0.5776115677772056
Energy: 0.6287700024041052
Energy: 0.5776115677772056
Energy: 0.5501869396356258
Energy: 0.5952303034742368
Energy: 0.5501869396356258
Energy: 0.5952303034742368
Energy: 0.5501869396360075
Energy: 0.5952303034742368
Energy: 0.5932010477310722
Energy: 0.5942703226964549
Energy: 0.5932010477310722
Energy: 0.5942703226964549
Energy: 0.5932010477310722
Energy: 0.5942703226964549
Energy: 0.5762897247888993
Energy: 0.5672837949646015
Energy: 0.5762897247888993
Energy: 0.5672837949646015
Energy: 0.5762897247888993
Energy: 0.5672837949646015
Energy: 0.5875480488509823
Energy: 0.5422402884505481
Energy: 0.5875480488513638
Energy: 0.5422402884505481
Energy: 0.5875480488509823
Energy: 0.5422402884501665
Energy: 0.5348862631316488
Energy: 0.5700844610493344
Energy: 0.5348862631320304
Energy: 0.5700844610493344
Energy: 0.5348862631320304
Energy: 0.5700844610493344
Energy: 0.5755836313770538
Energy: 0.5441081232136008
Energy: 0.5755836313766723
Energy: 0.5441081232136008
Energy: 0.5755836313770538
Energy: 0.5441081232136008
Energy: 0.5334563827944626
Energy: 0.54509826278353
Energy: 0.5334563827944626
Energy: 0.5450982627831485
Energy: 0.5334563827944626
Energy: 0.54509826278353
Energy: 0.5471454035886019
Energy: 0.5559542685918388
Energy: 0.5471454035882203
Energy: 0.5559542685918388
Energy: 0.5471454035886019
Energy: 0.5559542685918388
Energy: 0.5778341283865689
Energy: 0.5444013664844026
Energy: 0.5778341283865689
Energy: 0.544401366484021
Energy: 0.5778341283865689
Energy: 0.5444013664844026
Energy: 0.5673088096944928
Energy: 0.5974157231015442
Energy: 0.5673088096941112
Energy: 0.5974157231015442
Energy: 0.5673088096941112
Energy: 0.5974157231015442
Energy: 0.544198125795083
Energy: 0.593544289381135
Energy: 0.5441981257947014
Energy: 0.593544289381135
Energy: 0.544198125795083
Energy: 0.593544289381135
Energy: 0.5461783686216746
Energy: 0.5216853294132247
Energy: 0.5461783686216746
Energy: 0.5216853294132247
Energy: 0.5461783686216746
Energy: 0.5216853294132247
Energy: 0.6095529028441308
Energy: 0.5786113125189634
Energy: 0.6095529028445122
Energy: 0.5786113125189634
Energy: 0.6095529028441308
Energy: 0.5786113125189634
Energy: 0.5707771842992712
Energy: 0.58728421639877
Energy: 0.5707771842992712
Energy: 0.5872842163991516
Energy: 0.5707771842992712
Energy: 0.5872842163991516
Energy: 0.5781996888045805
Energy: 0.5614818918779129
Energy: 0.5781996888045805
Energy: 0.5614818918779129
Energy: 0.5781996888045805
Energy: 0.5614818918779129
Energy: 0.5831088735819213
Energy: 0.5408637300553102
Energy: 0.5831088735819213
Energy: 0.5408637300549286
Energy: 0.5831088735819213
Energy: 0.5408637300549286
Energy: 0.5628335135026419
Energy: 0.5480516682878647
Energy: 0.5628335135026419
Energy: 0.5480516682878647
Energy: 0.5628335135026419
Energy: 0.5480516682878647
Energy: 0.5903238961108569
Energy: 0.531653009672172
Energy: 0.5903238961108569
Energy: 0.5316530096725536
Energy: 0.5903238961112384
Energy: 0.5316530096725536
Energy: 0.5416716037102546
Energy: 0.5595485353505628
Energy: 0.5416716037102546
Energy: 0.5595485353505628
Energy: 0.5416716037102546
Energy: 0.5595485353509444

minimum gb energy = 0.5216853294132247 eV
minimum distance =  2.56968575599504 Angstroms
sigma value = 41


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

Energy: 0.6189349862296413
Energy: 0.5863133113038077
Energy: 0.6189349862296413
Energy: 0.5863133113038077
Energy: 0.6189349862296413
Energy: 0.5863133113038077
Energy: 0.5751936328335653
Energy: 0.5997127446681582
Energy: 0.5751936328335653
Energy: 0.5997127446681582
Energy: 0.5751936328335653
Energy: 0.5997127446681582
Energy: 0.6632461293456284
Energy: 0.5941117719922233
Energy: 0.6254876133458096
Energy: 0.5941117719922233
Energy: 0.6254876133468513
Energy: 0.5941117719922233
Energy: 0.6474410131358598
Energy: 0.6652163006097401
Energy: 0.6474410131358598
Energy: 0.6652163006097401
Energy: 0.6474410131358598
Energy: 0.6652163006097401
Energy: 0.5760100139209039
Energy: 0.6534453898693875
Energy: 0.5760100139209039
Energy: 0.6534453898693875
Energy: 0.5760100139209039
Energy: 0.6534453898693875
Energy: 0.6402307706370772
Energy: 0.6440831818758891
Energy: 0.6402307706370772
Energy: 0.6440831818758891
Energy: 0.6402307706360355
Energy: 0.6440831818758891
Energy: 0.6869911221227407
Energy: 0.6149513806226398
Energy: 0.6869911221227407
Energy: 0.6149513806226398
Energy: 0.686991122121699
Energy: 0.6149513806226398
Energy: 0.5982976620742556
Energy: 0.6045184925438453
Energy: 0.5982976620742556
Energy: 0.6045184925438453
Energy: 0.5982976620742556
Energy: 0.6045184925438453
Energy: 0.5924882922423419
Energy: 0.5851514663216004
Energy: 0.5924882922423419
Energy: 0.5851514663216004
Energy: 0.5924882922423419
Energy: 0.5851514663216004
Energy: 0.6065529122384278
Energy: 0.5785943785147513
Energy: 0.6065529122394694
Energy: 0.5785943785147513
Energy: 0.6065529122384278
Energy: 0.5785943785147513
Energy: 0.6471966971928289
Energy: 0.6066163492162672
Energy: 0.6471966971928289
Energy: 0.6066163492162672
Energy: 0.6471966971928289
Energy: 0.6066163492162672
Energy: 0.6107142511429754
Energy: 0.5765480087186258
Energy: 0.6107142511419337
Energy: 0.5765480087186258
Energy: 0.6107142511419337
Energy: 0.5765480087186258
Energy: 0.6318132951227265
Energy: 0.5876410852319898
Energy: 0.6318132951227265
Energy: 0.5876410852319898
Energy: 0.6318132951227265
Energy: 0.5876410852319898
Energy: 0.6436252439560256
Energy: 0.6451792203962513
Energy: 0.6436252439560256
Energy: 0.6451792203962513
Energy: 0.6436252439560256
Energy: 0.6451792203962513

minimum gb energy = 0.5751936328335653 eV
minimum distance =  2.53426482738226 Angstroms
sigma value = 11


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

Energy: 0.611958293293815
Energy: 0.6599849678149565
Energy: 0.611958293293815
Energy: 0.6599849678149565
Energy: 0.611958293293815
Energy: 0.6599849678149565
Energy: 0.576303700725386
Energy: 0.6156802807482774
Energy: 0.5763037007258436
Energy: 0.6156802807482774
Energy: 0.5763037007258436
Energy: 0.6156802807482774
Energy: 0.643370409551859
Energy: 0.5868526259386572
Energy: 0.643370409551859
Energy: 0.5868526259386572
Energy: 0.643370409551859
Energy: 0.5868526259386572
Energy: 0.618225598616695
Energy: 0.6038705425663762
Energy: 0.6182255986171525
Energy: 0.6038705425663762
Energy: 0.6182255986171525
Energy: 0.6038705425663762
Energy: 0.6248112161412218
Energy: 0.5990311629758645
Energy: 0.6248112161412218
Energy: 0.5990311629758645
Energy: 0.6248112161412218
Energy: 0.5990311629758645
Energy: 0.6157136036520164
Energy: 0.6335506243998258
Energy: 0.6157136036520164
Energy: 0.6335506243993682
Energy: 0.6157136036520164
Energy: 0.6335506243998258
Energy: 0.6008523775242147
Energy: 0.587057001906734
Energy: 0.6008523775242147
Energy: 0.587057001906734
Energy: 0.6008523775242147
Energy: 0.587057001906734
Energy: 0.6016314502424567
Energy: 0.5905114476298814
Energy: 0.6016314502424567
Energy: 0.5905114476298814
Energy: 0.6016314502424567
Energy: 0.5905114476298814
Energy: 0.5978166042263903
Energy: 0.5935358330432283
Energy: 0.5978166042263903
Energy: 0.5935358330432283
Energy: 0.5978166042259326
Energy: 0.5935358330432283
Energy: 0.5931041387846385
Energy: 0.6166313128796996
Energy: 0.5931041387846385
Energy: 0.6166313128796996
Energy: 0.5931041387846385
Energy: 0.6166313128796996
Energy: 0.6223327357510753
Energy: 0.6314704982966536
Energy: 0.6223327357510753
Energy: 0.6314704982966536
Energy: 0.6223327357510753
Energy: 0.6314704982966536
Energy: 0.6012923303497163
Energy: 0.6479490906726076
Energy: 0.6012923303497163
Energy: 0.6479490906726076
Energy: 0.6012923303497163
Energy: 0.64794909067215
Energy: 0.5998280549783016
Energy: 0.6535036604663771
Energy: 0.5998280549783016
Energy: 0.6535036604663771
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Energy: 0.6045063818395009
Energy: 0.6038949859755169
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Energy: 0.6045063818395009
Energy: 0.6038949859755169
Energy: 0.5918660386180873
Energy: 0.5913200810062077
Energy: 0.5918660386180873
Energy: 0.5913200810057501
Energy: 0.5918660386180873
Energy: 0.5913200810057501
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Energy: 0.599708317587101
Energy: 0.5893394162263984
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Energy: 0.589339416226856
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Energy: 0.6338939131164364
Energy: 0.6075170068928041
Energy: 0.6338939131164364
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Energy: 0.6338939131164364
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Energy: 0.6032483480217526
Energy: 0.629072828556748
Energy: 0.6032483480217526
Energy: 0.629072828556748
Energy: 0.6032483480217526
Energy: 0.629072828556748
Energy: 0.589162398538956
Energy: 0.6215154515941893
Energy: 0.589162398538956
Energy: 0.6215154515941893
Energy: 0.589162398538956
Energy: 0.6215154515941893
Energy: 0.5991614420320377
Energy: 0.5900294352890835
Energy: 0.5991614420320377
Energy: 0.5900294352895411
Energy: 0.5991614420320377
Energy: 0.5900294352895411
Energy: 0.5922500834130868
Energy: 0.5902269587359149
Energy: 0.5922500834130868
Energy: 0.5902269587359149
Energy: 0.5922500834126292
Energy: 0.5902269587359149
Energy: 0.6321239412252467
Energy: 0.6073206253712456
Energy: 0.6321239412252467
Energy: 0.607320625370788
Energy: 0.6321239412252467
Energy: 0.607320625370788
Energy: 0.6178898419649387
Energy: 0.5948876261054559
Energy: 0.6178898419649387
Energy: 0.5948876261054559
Energy: 0.6178898419649387
Energy: 0.5948876261054559
Energy: 0.6403508264913982
Energy: 0.5909764111744102
Energy: 0.6403508264913982
Energy: 0.5909764111744102
Energy: 0.6403508264909407
Energy: 0.5909764111744102
Energy: 0.6059965113454613
Energy: 0.6374046087114056
Energy: 0.6059965113454613
Energy: 0.6374046087114056
Energy: 0.6059965113454613
Energy: 0.6374046087114056
Energy: 0.5956672000489556
Energy: 0.6218348725861669
Energy: 0.5956672000494132
Energy: 0.6218348725866245
Energy: 0.5956672000489556
Energy: 0.6218348725861669
Energy: 0.5852065471076666
Energy: 0.6152885847875667
Energy: 0.5852065471076666
Energy: 0.6152885847875667
Energy: 0.5852065471076666
Energy: 0.6152885847871091
Energy: 0.600059382496782
Energy: 0.5945928785008741
Energy: 0.600059382496782
Energy: 0.5945928785008741
Energy: 0.600059382496782
Energy: 0.5945928785008741
Energy: 0.584957971046708
Energy: 0.6161773004655295
Energy: 0.584957971046708
Energy: 0.6161773004655295
Energy: 0.584957971046708
Energy: 0.6161773004655295
Energy: 0.6005729599756777
Energy: 0.5955726338680326
Energy: 0.6005729599756777
Energy: 0.5955726338680326
Energy: 0.6005729599756777
Energy: 0.5955726338680326
Energy: 0.5991731151675793
Energy: 0.6178146013109191
Energy: 0.5991731151680161
Energy: 0.6178146013109191
Energy: 0.5991731151680161
Energy: 0.6178146013109191

minimum gb energy = 0.576303700725386 eV
minimum distance =  2.52857970509942 Angstroms
sigma value = 57


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

Energy: 0.4958356143029366
Energy: 0.5209757437017869
Energy: 0.4958356143029366
Energy: 0.5209757437009725
Energy: 0.4958356143029366
Energy: 0.5209757437009725
Energy: 0.5775738071380314
Energy: 0.5500699832418425
Energy: 0.5775738071380314
Energy: 0.5500699832418425
Energy: 0.5775738071380314
Energy: 0.5500699832418425
Energy: 0.5383844532846528
Energy: 0.5056677388375954
Energy: 0.5383844532846528
Energy: 0.5056677388375954
Energy: 0.5383844532846528
Energy: 0.5056677388375954
Energy: 0.5176211178806923
Energy: 0.5302028710929497
Energy: 0.5176211177528943
Energy: 0.5302028710929497
Energy: 0.5176211182258302
Energy: 0.5302028710921355
Energy: 0.538397939532931
Energy: 0.5056984610674492
Energy: 0.5383979395337455
Energy: 0.5056984610682635
Energy: 0.5383979395337455
Energy: 0.5056984610674492
Energy: 0.5777307036201647
Energy: 0.5080858662971359
Energy: 0.5777307036193503
Energy: 0.5080858662963216
Energy: 0.5777307036193503
Energy: 0.5080858662963216
Energy: 0.4958356143029366
Energy: 0.5209757437017869
Energy: 0.4958356143021222
Energy: 0.5209757437009725
Energy: 0.4958356143021222
Energy: 0.5209757437017869
Energy: 0.5775738071380314
Energy: 0.5500699832418425
Energy: 0.5775738071380314
Energy: 0.5500699832418425
Energy: 0.5775738071380314
Energy: 0.5500699832418425
Energy: 0.5383844532838384
Energy: 0.5056677388375954
Energy: 0.5383844532846528
Energy: 0.5056677388375954
Energy: 0.5383844532846528
Energy: 0.5056677388367811
Energy: 0.5176211177496369
Energy: 0.5400632692462589
Energy: 0.5176211181737301
Energy: 0.5400632692470547
Energy: 0.5176211179808208
Energy: 0.5400632692462589
Energy: 0.538397939532931
Energy: 0.5056984610682635
Energy: 0.538397939532931
Energy: 0.5056984610674492
Energy: 0.538397939532931
Energy: 0.5056984610682635
Energy: 0.5777307036193503
Energy: 0.5080858662963216
Energy: 0.5777307036193503
Energy: 0.5080858662963216
Energy: 0.577730703618536
Energy: 0.5080858662963216
Energy: 0.4958356143029366
Energy: 0.5209757437017869
Energy: 0.4958356143029366
Energy: 0.5209757437009725
Energy: 0.4958356143029366
Energy: 0.5209757437017869
Energy: 0.5775738071380314
Energy: 0.5500699832418425
Energy: 0.577573807137217
Energy: 0.5500699832418425
Energy: 0.5775738071380314
Energy: 0.5500699832418425
Energy: 0.5383844532854671
Energy: 0.5056677388367811
Energy: 0.5383844532846528
Energy: 0.5056677388375954
Energy: 0.5383844532838384
Energy: 0.5056677388375954
Energy: 0.5176211183291977
Energy: 0.5400632692462589
Energy: 0.5176211186580485
Energy: 0.5400632692470547
Energy: 0.5176211182103575
Energy: 0.5400632692470547
Energy: 0.538397939532931
Energy: 0.5056984610674492
Energy: 0.538397939532931
Energy: 0.5056984610682635
Energy: 0.538397939532931
Energy: 0.5056984610674492

minimum gb energy = 0.4958356143021222 eV
minimum distance =  2.57224117257853 Angstroms
sigma value = 9


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

Energy: 0.604782524129457
Energy: 0.6050056571626795
Energy: 0.604782524129457
Energy: 0.6050056571626795
Energy: 0.6047825241301219
Energy: 0.6050056571626795
Energy: 0.6259909889032169
Energy: 0.6401303359587216
Energy: 0.6259909889032169
Energy: 0.6401303359587216
Energy: 0.6259909889032169
Energy: 0.6401303359587216
Energy: 0.6222392788471618
Energy: 0.5643916811531189
Energy: 0.6498832505967441
Energy: 0.5643916811531189
Energy: 0.6498832505967441
Energy: 0.5643916811531189
Energy: 0.5673906617932027
Energy: 0.6377844974750655
Energy: 0.5673906617925379
Energy: 0.6377844974757304
Energy: 0.5673906617925379
Energy: 0.6377844974750655
Energy: 0.5773231531389694
Energy: 0.5996813467309348
Energy: 0.5773231531383045
Energy: 0.5996813467309348
Energy: 0.5773231531389694
Energy: 0.5996813467309348
Energy: 0.5709070836504125
Energy: 0.5844861793552194
Energy: 0.5709070836510773
Energy: 0.5844861793552194
Energy: 0.5709070836510773
Energy: 0.5844861793552194
Energy: 0.6257054503891409
Energy: 0.6112211798483461
Energy: 0.6257054503891409
Energy: 0.6112211798483461
Energy: 0.6257054503891409
Energy: 0.6112211798483461
Energy: 0.5636121774448748
Energy: 0.5998233959670356
Energy: 0.5636121774448748
Energy: 0.5998233959677005
Energy: 0.5636121774448748
Energy: 0.5998233959670356
Energy: 0.6189742418713684
Energy: 0.5973002374555362
Energy: 0.6189742418713684
Energy: 0.5973002374555362
Energy: 0.6189742418713684
Energy: 0.5973002374555362
Energy: 0.586271214433226
Energy: 0.5897199244968255
Energy: 0.586271214433891
Energy: 0.5897199244968255
Energy: 0.586271214433891
Energy: 0.5897199244968255
Energy: 0.5517269771694893
Energy: 0.5660637155322217
Energy: 0.5517269771694893
Energy: 0.5660637155322217
Energy: 0.5517269771694893
Energy: 0.5660637155322217
Energy: 0.6197004538878317
Energy: 0.6289772433468994
Energy: 0.6197004538878317
Energy: 0.6289772433468994
Energy: 0.6197004538878317
Energy: 0.6289772433468994
Energy: 0.5617743669015572
Energy: 0.6166297337024331
Energy: 0.5617743669015572
Energy: 0.6166297337024331
Energy: 0.5617743669015572
Energy: 0.6166297337024331
Energy: 0.5794896989839551
Energy: 0.6325697233038476
Energy: 0.5794896989839551
Energy: 0.6325697233038476
Energy: 0.5794896989839551
Energy: 0.6325697233038476
Energy: 0.7229046768546522
Energy: 0.6549306848354346
Energy: 0.7229046768546522
Energy: 0.6549306848354346
Energy: 0.6096297564622438
Energy: 0.6549306848354346
Energy: 0.6158929881142602
Energy: 0.6005633781343037
Energy: 0.6158929881142602
Energy: 0.6005633781343037
Energy: 0.6158929881142602
Energy: 0.6005633781343037
Energy: 0.5975273577964595
Energy: 0.5924431414950021
Energy: 0.5975273577964595
Energy: 0.592443141495667
Energy: 0.5975273577964595
Energy: 0.5924431414950021
Energy: 0.6343527572931731
Energy: 0.6141352241016689
Energy: 0.6343527572931731
Energy: 0.6141352241023338
Energy: 0.6343527572931731
Energy: 0.6141352241016689
Energy: 0.5654964854344487
Energy: 0.578549065380301
Energy: 0.5654964854344487
Energy: 0.578549065380301
Energy: 0.5654964854344487
Energy: 0.578549065380301
Energy: 0.5844388465351453
Energy: 0.5904964229139616
Energy: 0.5844388465351453
Energy: 0.5904964229146266
Energy: 0.5844388465351453
Energy: 0.5904964229139616
Energy: 0.6185545263404829
Energy: 0.582990530933026
Energy: 0.6185545263404829
Energy: 0.582990530933026
Energy: 0.6185545263404829
Energy: 0.582990530933026

minimum gb energy = 0.5517269771694893 eV
minimum distance =  2.5209436624182 Angstroms
sigma value = 27


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

Energy: 0.6525695518166597
Energy: 0.6928473014719871
Energy: 0.6349915090437961
Energy: 0.6928473014719871
Energy: 0.6525695518166597
Energy: 0.6928473014719871
Energy: 0.6253393889024479
Energy: 0.5727027173653143
Energy: 0.6253393889024479
Energy: 0.5727027173647539
Energy: 0.6253393889024479
Energy: 0.5727027173653143
Energy: 0.5773571589589801
Energy: 0.6110807484225287
Energy: 0.5773571589595407
Energy: 0.6110807484230891
Energy: 0.5773571589595407
Energy: 0.6110807484225287
Energy: 0.5780586195096733
Energy: 0.6144286358879132
Energy: 0.5780586195102337
Energy: 0.6144286358879132
Energy: 0.5780586195102337
Energy: 0.6144286358879132
Energy: 0.6190851279698014
Energy: 0.6013616234985374
Energy: 0.619085127970362
Energy: 0.6013616234985374
Energy: 0.6190851279698014
Energy: 0.6013616234985374
Energy: 0.6797351731772018
Energy: 0.6308267915971664
Energy: 0.6797351731772018
Energy: 0.6308267915971664
Energy: 0.6797351731772018
Energy: 0.6308267915971664
Energy: 0.5924857393745793
Energy: 0.6068111489194162
Energy: 0.5924857393745793
Energy: 0.6068111489194162
Energy: 0.5924857393745793
Energy: 0.6068111489194162
Energy: 0.6551751923693462
Energy: 0.5855168911435408
Energy: 0.6551751923693462
Energy: 0.5855168911435408
Energy: 0.6551751923693462
Energy: 0.5855168911435408
Energy: 0.6693954520375508
Energy: 0.6126816304611832
Energy: 0.6694169754375052
Energy: 0.6126816304606227
Energy: 0.6693954520381112
Energy: 0.6126816304611832
Energy: 0.6278861983348103
Energy: 0.6413216206604487
Energy: 0.6278211064305702
Energy: 0.6413216206610093
Energy: 0.6278861983348103
Energy: 0.6413216206610093
Energy: 0.6288957870692451
Energy: 0.6264651726295425
Energy: 0.6290328684368536
Energy: 0.6264651726295425
Energy: 0.6288957870692451
Energy: 0.626465172630103
Energy: 0.6133595330286271
Energy: 0.5942110928244579
Energy: 0.6133595330286271
Energy: 0.5942110928692705
Energy: 0.6133595330286271
Energy: 0.5942110931600306
Energy: 0.6082648994130608
Energy: 0.7624080743208115
Energy: 0.6082648994130608
Energy: 0.7624080743208115
Energy: 0.6082648994130608
Energy: 0.7624080743208115
Energy: 0.6226823583534447
Energy: 0.6007682075258416
Energy: 0.6226823583534447
Energy: 0.6007682075258416
Energy: 0.6226823583534447
Energy: 0.6007682075258416
Energy: 0.6265727352844748
Energy: 0.6174872226532078
Energy: 0.6247244040869834
Energy: 0.6174872226532078
Energy: 0.6265727352844748
Energy: 0.6174872226532078
Energy: 0.610556831071477
Energy: 0.6112820679511185
Energy: 0.610556831071477
Energy: 0.6112820679511185
Energy: 0.610556831071477
Energy: 0.6112820679511185
Energy: 0.6312084050999118
Energy: 0.6368830031255515
Energy: 0.6312084050819766
Energy: 0.6368830031255515
Energy: 0.6312084050746904
Energy: 0.6368830031255515
Energy: 0.6019600938324602
Energy: 0.5977672731463166
Energy: 0.6019600938318999
Energy: 0.5977672731457562
Energy: 0.6019600938318999
Energy: 0.5977672731457562
Energy: 0.5854185533235577
Energy: 0.6572192509379768
Energy: 0.5656119955079347
Energy: 0.6572192509374164
Energy: 0.5854185533235577
Energy: 0.6572192509379768
Energy: 0.6525695518172201
Energy: 0.6928473014725477
Energy: 0.6349915090437961
Energy: 0.6928473014725477
Energy: 0.6525695518172201
Energy: 0.6928473014725477
Energy: 0.6253393889024479
Energy: 0.5727027173653143
Energy: 0.6253393889024479
Energy: 0.5727027173653143
Energy: 0.6253393889024479
Energy: 0.5727027173653143
Energy: 0.5773571589589801
Energy: 0.6110807484225287
Energy: 0.5773571589589801
Energy: 0.6110807484230891
Energy: 0.5773571589595407
Energy: 0.6110807484225287
Energy: 0.5780586195102337
Energy: 0.6144286358879132
Energy: 0.5780586195102337
Energy: 0.6144286358879132
Energy: 0.5780586195102337
Energy: 0.6144286358879132
Energy: 0.619085127970362
Energy: 0.6013616234990978
Energy: 0.619085127970362
Energy: 0.6013616234985374
Energy: 0.619085127970362
Energy: 0.6013616234990978
Energy: 0.6797351731772018
Energy: 0.6308267915966059
Energy: 0.6797351731772018
Energy: 0.6308267915971664
Energy: 0.6797351731772018
Energy: 0.6308267915966059

minimum gb energy = 0.5656119955079347 eV
minimum distance =  2.54736653051766 Angstroms
sigma value = 19


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

Energy: 0.596985213589491
Energy: 0.6397416373902567
Energy: 0.596985213589491
Energy: 0.6397416373902567
Energy: 0.5969852135890071
Energy: 0.6397416373912242
Energy: 0.6736332028696077
Energy: 0.600941125181477
Energy: 0.6736332028696077
Energy: 0.600941125181477
Energy: 0.6736332028696077
Energy: 0.600941125181477
Energy: 0.655092076586546
Energy: 0.5962460158295034
Energy: 0.655092076586546
Energy: 0.5962460158295034
Energy: 0.655092076586546
Energy: 0.5962460158290196
Energy: 0.5786784335926197
Energy: 0.639131078709465
Energy: 0.578678433592136
Energy: 0.639131078709465
Energy: 0.578678433592136
Energy: 0.639131078709465
Energy: 0.5926813793223351
Energy: 0.6628668820902089
Energy: 0.5926813793223351
Energy: 0.6628668820897251
Energy: 0.5926813793228188
Energy: 0.6628668820897251
Energy: 0.61709809863697
Energy: 0.5807100280598002
Energy: 0.61709809863697
Energy: 0.5807100280598002
Energy: 0.61709809863697
Energy: 0.5807100280593165
Energy: 0.5958908626943842
Energy: 0.6527976567503001
Energy: 0.5958908626943842
Energy: 0.6527976567503001
Energy: 0.5958908626943842
Energy: 0.6527976567503001
Energy: 0.5888244130927609
Energy: 0.6755177880566718
Energy: 0.5888244130932446
Energy: 0.6755177880566718
Energy: 0.5888244130927609
Energy: 0.6755177880561881
Energy: 0.6340954300117582
Energy: 0.5648048199588093
Energy: 0.6340954300117582
Energy: 0.5648048199588093
Energy: 0.6340954300117582
Energy: 0.5648048199588093
Energy: 0.6223557272977321
Energy: 0.5983767078187412
Energy: 0.6223557272977321
Energy: 0.5983767078187412
Energy: 0.6223557272977321
Energy: 0.5983767078187412
Energy: 0.5661784896630531
Energy: 0.6526451706446755
Energy: 0.5661784896630531
Energy: 0.6526451706441918
Energy: 0.5661784896635369
Energy: 0.6526451706446755
Energy: 0.6678883081373039
Energy: 0.5920132360689747
Energy: 0.6678883081368202
Energy: 0.5920132360694585
Energy: 0.6678883081373039
Energy: 0.5920132360689747
Energy: 0.6261293026161764
Energy: 0.6101311582846297
Energy: 0.6261293026161764
Energy: 0.6101311582846297
Energy: 0.6261293026161764
Energy: 0.6101311582846297
Energy: 0.5769273550526145
Energy: 0.615802854252556
Energy: 0.5769273550530982
Energy: 0.615802854252556
Energy: 0.5769273550526145
Energy: 0.615802854252556
Energy: 0.6204341131704407
Energy: 0.5981570764182841
Energy: 0.6204341131704407
Energy: 0.5981570764182841
Energy: 0.6204341131704407
Energy: 0.5981570764182841
Energy: 0.666409745254742
Energy: 0.5905763334501536
Energy: 0.666409745254742
Energy: 0.5905763334501536
Energy: 0.666409745254742
Energy: 0.5905763334501536
Energy: 0.5720978703883837
Energy: 0.6415371519764979
Energy: 0.5720978703878998
Energy: 0.6415371519764979
Energy: 0.5720978703883837
Energy: 0.641537151976014
Energy: 0.6367075271616592
Energy: 0.6587948774258806
Energy: 0.6367075271616592
Energy: 0.6587948774258806
Energy: 0.6367075271616592
Energy: 0.6587948774258806
Energy: 0.6462714486053954
Energy: 0.577121417650381
Energy: 0.6462714486053954
Energy: 0.577121417650381
Energy: 0.6352144635921494
Energy: 0.577121417650381
Energy: 0.6029852297241682
Energy: 0.6049618390768978
Energy: 0.6029852297241682
Energy: 0.6049618390764139
Energy: 0.6029852297241682
Energy: 0.6049618390768978
Energy: 0.5615805549197621
Energy: 0.684285086991697
Energy: 0.5615805549192783
Energy: 0.684285086991697
Energy: 0.5615805549197621
Energy: 0.684285086991697
Energy: 0.6741706193616729
Energy: 0.5921103200934317
Energy: 0.6741706193616729
Energy: 0.5921103200934317
Energy: 0.6741706193621567
Energy: 0.5921103200934317
Energy: 0.6512945584041243
Energy: 0.5825254027153336
Energy: 0.6512945584041243
Energy: 0.5825254027153336
Energy: 0.6512945584041243
Energy: 0.5825254027153336
Energy: 0.5959681954905385
Energy: 0.6331010847637223
Energy: 0.5959681954905385
Energy: 0.6331010847637223
Energy: 0.5959681954905385
Energy: 0.6331010847637223
Energy: 0.5984340638788036
Energy: 0.5885673467590472
Energy: 0.5984340638788036
Energy: 0.5885673467590472
Energy: 0.5984340638788036
Energy: 0.5885673467590472
Energy: 0.6528543973899197
Energy: 0.6086017101388946
Energy: 0.6528543973899197
Energy: 0.6086017101384109
Energy: 0.6528543973899197
Energy: 0.6086017101384109
Energy: 0.5615366725375869
Energy: 0.6110782455029631
Energy: 0.5615366725375869
Energy: 0.6110782455034469
Energy: 0.5615366725380707
Energy: 0.6110782455024792
Energy: 0.6099897429624332
Energy: 0.6254441758476497
Energy: 0.6099897429624332
Energy: 0.6254441758476497
Energy: 0.6099897429624332
Energy: 0.6254441758476497
Energy: 0.6024419140987016
Energy: 0.5745414757124212
Energy: 0.6024419140987016
Energy: 0.5745414757124212
Energy: 0.6024419140987016
Energy: 0.5745414757124212

minimum gb energy = 0.5615366725375869 eV
minimum distance =  2.53346615458838 Angstroms
sigma value = 101


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

Energy: 0.5639645301184372
Energy: 0.653683155670931
Energy: 0.5639645301184372
Energy: 0.653683155670931
Energy: 0.5639645301184372
Energy: 0.653683155670931
Energy: 0.672494265923407
Energy: 0.5822942246658714
Energy: 0.672494265923407
Energy: 0.5822942246658714
Energy: 0.672494265923407
Energy: 0.5822942246658714
Energy: 0.6718914546535775
Energy: 0.5898652842125002
Energy: 0.6718914546535775
Energy: 0.5898652842125002
Energy: 0.6718914546535775
Energy: 0.5898652842125002
Energy: 0.5345810415299515
Energy: 0.6751698535870498
Energy: 0.5345810415299515
Energy: 0.6486069644470974
Energy: 0.5345810415299515
Energy: 0.6486069644470974
Energy: 0.5809475953784974
Energy: 0.638259924323471
Energy: 0.5809475953784974
Energy: 0.638259924323471
Energy: 0.5809475953784974
Energy: 0.6382599243238963
Energy: 0.6442375934724852
Energy: 0.5517983112006933
Energy: 0.6442375934720599
Energy: 0.5517983112006933
Energy: 0.6442375934720599
Energy: 0.5517983112011186
Energy: 0.5820097271361951
Energy: 0.6767749154259006
Energy: 0.5820097271361951
Energy: 0.6767749154259006
Energy: 0.5820097271361951
Energy: 0.6767749154259006
Energy: 0.5387419098742742
Energy: 0.70404055120471
Energy: 0.5387419098742742
Energy: 0.70404055120471
Energy: 0.5387419098742742
Energy: 0.70404055120471
Energy: 0.6351018054480385
Energy: 0.540830772244355
Energy: 0.6351018054480385
Energy: 0.5408307722430793
Energy: 0.6351018054476132
Energy: 0.5408307722439298
Energy: 0.5803724394699202
Energy: 0.5762667211784275
Energy: 0.5803724394699202
Energy: 0.6435630085549564
Energy: 0.5803724394699202
Energy: 0.6435630085549564
Energy: 0.5349680518192286
Energy: 0.6608450298495915
Energy: 0.5349680518196539
Energy: 0.6608450298495915
Energy: 0.5349680518192286
Energy: 0.6608450298491663
Energy: 0.652759273292957
Energy: 0.59901583413627
Energy: 0.652759273292957
Energy: 0.5990158341358447
Energy: 0.6527592732925318
Energy: 0.5990158341358447
Energy: 0.6360819119892989
Energy: 0.5927126451794059
Energy: 0.6360819119892989
Energy: 0.5927126451798312
Energy: 0.6360819119892989
Energy: 0.5927126451798312
Energy: 0.5659273008709163
Energy: 0.6790047008416665
Energy: 0.5659273008709163
Energy: 0.6607937825359321
Energy: 0.5659273008709163
Energy: 0.6607937825363573
Energy: 0.6799858928556335
Energy: 0.5584653770625058
Energy: 0.6799858928552083
Energy: 0.5584653770625058
Energy: 0.6799858928552083
Energy: 0.5584653770625058
Energy: 0.6723190270394285
Energy: 0.5448498595481318
Energy: 0.6723190270398537
Energy: 0.5448498595481318
Energy: 0.6723190270398537
Energy: 0.5448498595481318
Energy: 0.5381711137550935
Energy: 0.641332940107596
Energy: 0.5381711137550935
Energy: 0.641332940107596
Energy: 0.5381711137550935
Energy: 0.641332940107596
Energy: 0.5432714372787606
Energy: 0.6004477442267162
Energy: 0.5432714372787606
Energy: 0.6004477442271416
Energy: 0.5432714372787606
Energy: 0.6004477442267162
Energy: 0.6560141204755217
Energy: 0.5409113187829524
Energy: 0.656014120475947
Energy: 0.5409113187791441
Energy: 0.656014120475947
Energy: 0.5409113187821019
Energy: 0.5802163784603991
Energy: 0.6128656382099344
Energy: 0.5802163784608243
Energy: 0.6128656382103597
Energy: 0.5802163784595485
Energy: 0.6128656382103597
Energy: 0.5362773011049099
Energy: 0.6603180301505831
Energy: 0.5362773011049099
Energy: 0.6603180301505831
Energy: 0.5362773011049099
Energy: 0.6603180301505831
Energy: 0.7216084256565067
Energy: 0.5428890975073185
Energy: 0.7216084256569318
Energy: 0.5428890975073185
Energy: 0.7216084256565067
Energy: 0.5428890975068932
Energy: 0.6429951071623228
Energy: 0.5408386688093293
Energy: 0.6429951071623228
Energy: 0.5408386688089041
Energy: 0.6429951071618975
Energy: 0.5408386688089041
Energy: 0.5315688098021456
Energy: 0.6482470021034542
Energy: 0.5315688098017204
Energy: 0.6482470021034542
Energy: 0.5315688098017204
Energy: 0.6482470021034542
Energy: 0.6791122296008828
Energy: 0.6362478809084026
Energy: 0.6791122296008828
Energy: 0.6362478809088279
Energy: 0.6791122296008828
Energy: 0.6362478809088279
Energy: 0.6526192884832347
Energy: 0.544315720452347
Energy: 0.6526192884836599
Energy: 0.544315720452347
Energy: 0.6526192884836599
Energy: 0.544315720452347
Energy: 0.5641420197199407
Energy: 0.6484641583873878
Energy: 0.5641420197203659
Energy: 0.6484641583873878
Energy: 0.5641420197199407
Energy: 0.6484641583873878
Energy: 0.5735090532076923
Energy: 0.60654538212544
Energy: 0.5735090532072671
Energy: 0.6065453821258652
Energy: 0.5735090532076923
Energy: 0.60654538212544
Energy: 0.6445060402889369
Energy: 0.5400426292012204
Energy: 0.6445060402893622
Energy: 0.5400426292029216
Energy: 0.6445060402885116
Energy: 0.5400426292029216
Energy: 0.5397064377300537
Energy: 0.6695555871671002
Energy: 0.5397064377300537
Energy: 0.6695555871671002
Energy: 0.5397064377300537
Energy: 0.6695555871675254
Energy: 0.5383464259185136
Energy: 0.6106531579282639
Energy: 0.5383464259185136
Energy: 0.6106531579274133
Energy: 0.5383464259185136
Energy: 0.6106531579282639
Energy: 0.649984443134912
Energy: 0.5427964015487647
Energy: 0.649984443134912
Energy: 0.5427964015483394
Energy: 0.6499844431353372
Energy: 0.5427964015483394
Energy: 0.694390524866288
Energy: 0.540725711276633
Energy: 0.694390524866288
Energy: 0.5407257112757825
Energy: 0.694390524866288
Energy: 0.540725711276633

minimum gb energy = 0.5315688098017204 eV
minimum distance =  2.5555757480334 Angstroms
sigma value = 33


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

Energy: 0.01172185129463193
Energy: 0.6392221288422372
Energy: 0.01172185129463193
Energy: 0.6392221288425907
Energy: 0.01172185129463193
Energy: 0.6392221288422372
Energy: 0.01254696579946091
Energy: 0.19393728640341204
Energy: 0.01254696579946091
Energy: 0.19393728640341204
Energy: 0.01254696579946091
Energy: 0.19393728640341204
Energy: 0.6397678773042735
Energy: 0.19388239579531824
Energy: 0.6397679558370142
Energy: 0.19388374498260616
Energy: 0.6397672655136598
Energy: 0.19388129601673368
Energy: 0.01254696579946091
Energy: 0.19393728640341204
Energy: 0.01254696579946091
Energy: 0.19393728640376537
Energy: 0.01254696579946091
Energy: 0.19393728640341204

minimum gb energy = 0.01172185129463193 eV
minimum distance =  2.85511365073239 Angstroms
sigma value = 1