Model name: model_name=EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_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=3.869337007403374
cohesive_energy=3.206600283772908
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: 0.01083608014563946
Energy: 0.5379698207660295
Energy: 0.01083608014563946
Energy: 0.5379698207663033
Energy: 0.01083608014563946
Energy: 0.5379698207663033
Energy: 0.5379698207660295
Energy: 0.01088883635966578
Energy: 0.5379698207660295
Energy: 0.010888836359939516
Energy: 0.5379698207660295
Energy: 0.010888836360213254
Energy: 0.01083608014563946
Energy: 0.5379698207660295
Energy: 0.01083608014563946
Energy: 0.5379698207660295
Energy: 0.01083608014563946
Energy: 0.5379698207660295
Energy: 0.5379698207663033
Energy: 0.010888836359939516
Energy: 0.5379698207660295
Energy: 0.010888836359148727
Energy: 0.5379698207663033
Energy: 0.01088883635887499
Energy: 0.010836080145365726
Energy: 0.5379698207660295
Energy: 0.01083608014563946
Energy: 0.5379698207663033
Energy: 0.010836080145365726
Energy: 0.5379698207663033
Energy: 0.5379698207660295
Energy: 0.010888836359939516
Energy: 0.5379698207660295
Energy: 0.010888836359422461
Energy: 0.5379698207660295
Energy: 0.01088883635966578

minimum gb energy = 0.010836080145365726 eV
minimum distance =  2.73510621785631 Angstroms
sigma value = 1


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

Energy: 0.8072504024791957
Energy: 0.7649504685881405
Energy: 0.8072504024791957
Energy: 0.7649504685874816
Energy: 0.8072504024785367
Energy: 0.7649504685874816
Energy: 0.8494902771823363
Energy: 0.7347699015146747
Energy: 0.8494902771816772
Energy: 0.7347699015146747
Energy: 0.8494902771810183
Energy: 0.7347699015146747
Energy: 0.7641142526503774
Energy: 0.8069906691975484
Energy: 0.7641142526510363
Energy: 0.8069906691962305
Energy: 0.7641142526510363
Energy: 0.8069906691975484
Energy: 0.8036176233754531
Energy: 0.7583858860895956
Energy: 0.8036176233754531
Energy: 0.7583858860902544
Energy: 0.8036176233767709
Energy: 0.7583858860895956
Energy: 0.7688054407990433
Energy: 0.8043656797370784
Energy: 0.7688054407997021
Energy: 0.8043656797423497
Energy: 0.7688054408003612
Energy: 0.8043656797397142
Energy: 0.7999709458379707
Energy: 0.7388114289251921
Energy: 0.7999709458373118
Energy: 0.7388114289251921
Energy: 0.7999709458379707
Energy: 0.738811428925851
Energy: 0.7506973912460065
Energy: 0.7890711010315824
Energy: 0.7506973912460065
Energy: 0.7890711010315824
Energy: 0.7506973912460065
Energy: 0.7890711010329002
Energy: 0.7564534614484041
Energy: 0.8470432403313883
Energy: 0.7564534614484041
Energy: 0.8470432403320473
Energy: 0.7564534614477452
Energy: 0.8470432403320473
Energy: 0.81717617622227
Energy: 0.7942797962114172
Energy: 0.8171761762216111
Energy: 0.7942797962114172
Energy: 0.8171761762216111
Energy: 0.7942797962114172
Energy: 0.7172117380147927
Energy: 0.8341176856513749
Energy: 0.7172117380134748
Energy: 0.8341176856520338
Energy: 0.7172117380141337
Energy: 0.8341176856546696
Energy: 0.7992948569806487
Energy: 0.7356004379898572
Energy: 0.7992948569813076
Energy: 0.7356004379898572
Energy: 0.7992948569806487
Energy: 0.7356004379898572
Energy: 0.7208683295029018
Energy: 0.7635600125302052
Energy: 0.7208683295029018
Energy: 0.7635600125302052
Energy: 0.7208683295029018
Energy: 0.7635600125302052
Energy: 0.8391055274157222
Energy: 0.7175678047635898
Energy: 0.8391055274137456
Energy: 0.7175678047635898
Energy: 0.8391055274144045
Energy: 0.7175678047635898
Energy: 0.74941801686408
Energy: 0.7598711691927718
Energy: 0.749418016864739
Energy: 0.7598711691927718
Energy: 0.74941801686408
Energy: 0.7598711691927718
Energy: 0.8847364163605675
Energy: 0.728705509175229
Energy: 0.8847364163618854
Energy: 0.728705509175229
Energy: 0.8847364163612265
Energy: 0.728705509175229
Energy: 0.8837200194085955
Energy: 0.8076629966185801
Energy: 0.8837200194092544
Energy: 0.8076629966185801
Energy: 0.8837200194085955
Energy: 0.8076629966198979
Energy: 0.7780105583947207
Energy: 0.7886606379331573
Energy: 0.7780105583947207
Energy: 0.7886606379338162
Energy: 0.7780105583940617
Energy: 0.7886606379338162
Energy: 0.7780881943927442
Energy: 0.7628513676798415
Energy: 0.7780881943934032
Energy: 0.7628513676791826
Energy: 0.7780881943927442
Energy: 0.7628513676791826
Energy: 0.7762014975574569
Energy: 0.7600141551323021
Energy: 0.7762014975574569
Energy: 0.7600141551316432
Energy: 0.776201497556798
Energy: 0.7600141551316432
Energy: 0.8176848372128156
Energy: 0.7366093121397227
Energy: 0.8176848372121567
Energy: 0.7366093121397227
Energy: 0.8176848372128156
Energy: 0.7366093121390638
Energy: 0.7388652838718824
Energy: 0.8394566235723477
Energy: 0.7388652838712234
Energy: 0.8394566235723477
Energy: 0.7388652838718824
Energy: 0.8394566235723477
Energy: 0.8051619489518336
Energy: 0.7901088963545874
Energy: 0.8051619489518336
Energy: 0.7901088963545874
Energy: 0.8051619489524925
Energy: 0.7901088963545874
Energy: 0.7167391354264586
Energy: 0.8436372893732537
Energy: 0.7167391354257998
Energy: 0.8436372893732537
Energy: 0.7167391354264586
Energy: 0.8436372893739126

minimum gb energy = 0.7167391354257998 eV
minimum distance =  2.46953049021212 Angstroms
sigma value = 33


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

Energy: 0.855535494861413
Energy: 0.8499556333029609
Energy: 0.791444243398712
Energy: 0.8499556333104566
Energy: 0.8555354948617878
Energy: 0.8499556332973391
Energy: 0.8592616312805554
Energy: 0.7582155143365498
Energy: 0.8592616312801807
Energy: 0.7582155143365498
Energy: 0.8592616312801807
Energy: 0.7582155143369245
Energy: 0.761237181012228
Energy: 0.7584291520416879
Energy: 0.7612371810111037
Energy: 0.7584291520416879
Energy: 0.7612371810118532
Energy: 0.7584291520420627
Energy: 0.9289490170212447
Energy: 0.8234743271330381
Energy: 0.92894901702087
Energy: 0.823474327133413
Energy: 0.9289490170216196
Energy: 0.823474327133413
Energy: 0.8120493109151868
Energy: 0.8021306505759723
Energy: 0.8120493109144373
Energy: 0.8021306505770966
Energy: 0.8120493109151868
Energy: 0.8021306505744732
Energy: 0.7914669598887767
Energy: 0.761973277507085
Energy: 0.7914669598839045
Energy: 0.7619732775067102
Energy: 0.7914669598981465
Energy: 0.7619732775063354
Energy: 0.8532803293596868
Energy: 0.7917566846970394
Energy: 0.8532803293593121
Energy: 0.7917566846970394
Energy: 0.8532803293604365
Energy: 0.791756684699288
Energy: 0.7082098555516663
Energy: 0.8561184730505396
Energy: 0.7082098555535402
Energy: 0.8561184730512891
Energy: 0.708209855552041
Energy: 0.8561184730505396
Energy: 0.7404662523665333
Energy: 0.7630023002849263
Energy: 0.740466252370656
Energy: 0.7630023002853011
Energy: 0.740466252365409
Energy: 0.7630023002842108
Energy: 0.7553213726174042
Energy: 0.8204691048215347
Energy: 0.7552938735220657
Energy: 0.8204691048151633
Energy: 0.7553213726174042
Energy: 0.8204691048219094
Energy: 0.9110955814926892
Energy: 0.7523390474762035
Energy: 0.911095581489316
Energy: 0.7523390474762035
Energy: 0.9110955814908152
Energy: 0.7523390474773279
Energy: 0.7613327577086375
Energy: 0.802830997727794
Energy: 0.7613009462129733
Energy: 0.8028309977281687
Energy: 0.7613327577086375
Energy: 0.8028309977304174
Energy: 0.7933956179119074
Energy: 0.7613839797597871
Energy: 0.8563397729602296
Energy: 0.7613839797597871
Energy: 0.7933956179122822
Energy: 0.7613839797601618
Energy: 0.7990859996366968
Energy: 0.8549901558188903
Energy: 0.8627955787764057
Energy: 0.854990155817391
Energy: 0.799085999636322
Energy: 0.8549901558185155
Energy: 0.8212849084618481
Energy: 0.7612957136254398
Energy: 0.8212849084667204
Energy: 0.7612957136246903
Energy: 0.8212849084622229
Energy: 0.7612957136243154
Energy: 0.7613414500131171
Energy: 0.7557808411738354
Energy: 0.7613414500093693
Energy: 0.7557808411730857
Energy: 0.7613414500131171
Energy: 0.7557808411738354
Energy: 0.8876333933373989
Energy: 0.8215741318628824
Energy: 0.8876333933388982
Energy: 0.8215741318628824
Energy: 0.8876333933370242
Energy: 0.8215741318636318
Energy: 0.811685132707638
Energy: 0.760921390077171
Energy: 0.8116851327072632
Energy: 0.760921390076796
Energy: 0.8116851327072632
Energy: 0.7609213900786699
Energy: 0.7923203242220185
Energy: 0.7913487894221505
Energy: 0.7923203242205191
Energy: 0.7913487894221505
Energy: 0.7923203242216436
Energy: 0.7913487894217758
Energy: 0.850940676613269
Energy: 0.7936412927298214
Energy: 0.8509406766147681
Energy: 0.7936412927301963
Energy: 0.8509406766128942
Energy: 0.7936412927298214
Energy: 0.7056611882376158
Energy: 0.857901460496404
Energy: 0.7056611882428628
Energy: 0.8579014604967788
Energy: 0.7056611882376158
Energy: 0.8579014604971537
Energy: 0.7586402281354153
Energy: 0.7644754715610458
Energy: 0.7586402281312925
Energy: 0.7644754715610458
Energy: 0.7586402281350405
Energy: 0.7644754715614205
Energy: 0.753106507003891
Energy: 0.9513336356357758
Energy: 0.7531040271098459
Energy: 0.9513336356354011
Energy: 0.7531065070035162
Energy: 0.9513336356357758
Energy: 0.9056294115420823
Energy: 0.8133514969250539
Energy: 0.9056294115435816
Energy: 0.8133514969250539
Energy: 0.9056294115334622
Energy: 0.8133514969239295
Energy: 0.7614153764174272
Energy: 0.7904540997101527
Energy: 0.7612250851033158
Energy: 0.7904540997165242
Energy: 0.7614153764178019
Energy: 0.7904540997210217
Energy: 0.8560213549039777
Energy: 0.8547034397651747
Energy: 0.7919888458159443
Energy: 0.8547034397659244
Energy: 0.8560213549047273
Energy: 0.8547034397644252
Energy: 0.8560521865907784
Energy: 0.8147840900139426
Energy: 0.7921827958732616
Energy: 0.8147840900135678
Energy: 0.8560521865911532
Energy: 0.814784090015067
Energy: 0.7632933888398075
Energy: 0.760987243328559
Energy: 0.7632933888360595
Energy: 0.760987243328559
Energy: 0.7632933888401823
Energy: 0.7609872433289339
Energy: 0.8215601745385337
Energy: 0.7592925900851644
Energy: 0.821560174541532
Energy: 0.7592925900851644
Energy: 0.821560174538159
Energy: 0.7592925900855392
Energy: 0.754109341197237
Energy: 0.9089483002272526
Energy: 0.7541093412028247
Energy: 0.9089483002261283
Energy: 0.754109341197237
Energy: 0.9089483002302509
Energy: 0.8209996275794779
Energy: 0.7629486090244678
Energy: 0.8209996275817265
Energy: 0.7629486090244678
Energy: 0.8209996275794779
Energy: 0.7629486090237182
Energy: 0.763601060297297
Energy: 0.7937589925551781
Energy: 0.7636010602991709
Energy: 0.7937589925551781
Energy: 0.7636010602984213
Energy: 0.7937589925559275
Energy: 0.8513745085642819
Energy: 0.7936485053293212
Energy: 0.8513745085676552
Energy: 0.7936485053296959
Energy: 0.8513745085642819
Energy: 0.7936485053281968
Energy: 0.7601764047686187
Energy: 0.8209357066052181
Energy: 0.760176404771242
Energy: 0.8209357066052181
Energy: 0.7601764047693681
Energy: 0.8209357066063424
Energy: 0.7553983517653631
Energy: 0.7618427631065269
Energy: 0.7553983517664873
Energy: 0.7618427631069017
Energy: 0.7553983517657379
Energy: 0.7618427631069017
Energy: 0.8216806104340545
Energy: 0.933335681692215
Energy: 0.8216806104340545
Energy: 0.933335681692215
Energy: 0.8216806104340545
Energy: 0.9333356816914655
Energy: 0.7607524695954904
Energy: 0.8119160522566361
Energy: 0.7607652437250766
Energy: 0.8119160522562613
Energy: 0.7607524695958651
Energy: 0.8119160522555117
Energy: 0.7909730536976701
Energy: 0.7919049762198076
Energy: 0.7698036892178575
Energy: 0.7919049762205571
Energy: 0.7909730536984196
Energy: 0.7919049762183085
Energy: 0.7980809508572767
Energy: 0.8544991288553058
Energy: 0.861977376160739
Energy: 0.8544991288511832
Energy: 0.7980809508572767
Energy: 0.8544991288343177
Energy: 0.85689905604866
Energy: 0.7065019882654869
Energy: 0.8568990560482852
Energy: 0.7065019882651121
Energy: 0.85689905604866
Energy: 0.7065019882658617
Energy: 0.7614008234862636
Energy: 0.7381149975538419
Energy: 0.7614008234840149
Energy: 0.7381149975538419
Energy: 0.7614008234858888
Energy: 0.7381149975527175

minimum gb energy = 0.7056611882376158 eV
minimum distance =  2.57042078094022 Angstroms
sigma value = 51


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

Energy: 0.802279614471042
Energy: 0.8007844103969209
Energy: 0.8022796144719104
Energy: 0.8007844103969209
Energy: 0.8022796144727788
Energy: 0.8007844103960526
Energy: 0.8412400397157762
Energy: 0.769246395589699
Energy: 0.8412400397157762
Energy: 0.7692463955905673
Energy: 0.8412400397157762
Energy: 0.7692463955905673
Energy: 0.7497830410812296
Energy: 0.8010249413040536
Energy: 0.7497830410812296
Energy: 0.8010249413031851
Energy: 0.7497830410812296
Energy: 0.8010249413031851
Energy: 0.7876348959699027
Energy: 0.7314844377468352
Energy: 0.787634895970771
Energy: 0.7314844377477036
Energy: 0.787634895970771
Energy: 0.7314844377477036
Energy: 0.8105496594068445
Energy: 0.7730191697369375
Energy: 0.8105496594068445
Energy: 0.7730191697369375
Energy: 0.8105496594068445
Energy: 0.7730191697369375
Energy: 0.8126659894971587
Energy: 0.7730194008957267
Energy: 0.8126659894971587
Energy: 0.7730194008957267
Energy: 0.8126659894962902
Energy: 0.7730194008948583
Energy: 0.7796619054490873
Energy: 0.7727859678618514
Energy: 0.7796619054490873
Energy: 0.7727859678609832
Energy: 0.7796619054490873
Energy: 0.7727859678618514
Energy: 0.7386679375401677
Energy: 0.7732971292672811
Energy: 0.7386679375410361
Energy: 0.7732971292672811
Energy: 0.7386679375392994
Energy: 0.7732971292672811
Energy: 0.814990593143678
Energy: 0.728925757510649
Energy: 0.814990593143678
Energy: 0.728925757510649
Energy: 0.8149905931402045
Energy: 0.728925757510649
Energy: 0.7465936627731481
Energy: 0.8233373441601326
Energy: 0.7465936627731481
Energy: 0.8233373441601326
Energy: 0.7465936627731481
Energy: 0.8233373441601326
Energy: 0.8430140186147332
Energy: 0.7220290874605786
Energy: 0.8430140186147332
Energy: 0.7220290874605786
Energy: 0.8430140186156015
Energy: 0.7220290874605786
Energy: 0.8046111075712213
Energy: 0.8025074613411537
Energy: 0.8046111075712213
Energy: 0.8025074613411537
Energy: 0.8046111075712213
Energy: 0.8025074613411537
Energy: 0.8387023990698608
Energy: 0.7728833926143566
Energy: 0.8387023990689924
Energy: 0.7728833926134883
Energy: 0.8387023990698608
Energy: 0.7728833926143566
Energy: 0.7614852920597106
Energy: 0.7507684194914915
Energy: 0.7614852920597106
Energy: 0.7507684194914915
Energy: 0.7614852920597106
Energy: 0.7507684194906232
Energy: 0.7883494806383594
Energy: 0.8007551389669003
Energy: 0.7883494806392278
Energy: 0.8007551389669003
Energy: 0.788349480637491
Energy: 0.8007551389669003
Energy: 0.8098378270007187
Energy: 0.7730357306351645
Energy: 0.8098378270007187
Energy: 0.7730357306351645
Energy: 0.8098378270007187
Energy: 0.7730357306351645
Energy: 0.8133315839487449
Energy: 0.8289988882581714
Energy: 0.8133315839487449
Energy: 0.8289988882581714
Energy: 0.8133315839487449
Energy: 0.8289988882581714
Energy: 0.7916510925637236
Energy: 0.7756519922968051
Energy: 0.7916510925637236
Energy: 0.7756519922976737
Energy: 0.7916510925637236
Energy: 0.7756519922968051

minimum gb energy = 0.7220290874605786 eV
minimum distance =  2.46512461599665 Angstroms
sigma value = 19


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

Energy: 0.6793934172954794
Energy: 0.6832626245042731
Energy: 0.6793934172959946
Energy: 0.6832626245053033
Energy: 0.6793934172959946
Energy: 0.6832626245047881
Energy: 0.7320626912389184
Energy: 0.797181542970545
Energy: 0.732062691236858
Energy: 0.7971815429715753
Energy: 0.7320626912378881
Energy: 0.7971815429710601
Energy: 0.6516607980707628
Energy: 0.7079636974400692
Energy: 0.6516607980707628
Energy: 0.7079636974421295
Energy: 0.6516607980702477
Energy: 0.7079636974410993
Energy: 0.7097355942956272
Energy: 0.6516180443032231
Energy: 0.709735594295112
Energy: 0.6516180443037382
Energy: 0.709735594295112
Energy: 0.6516180443032231
Energy: 0.6648691005992998
Energy: 0.6795165451151244
Energy: 0.6648691005992998
Energy: 0.6795165451156395
Energy: 0.6648691005982695
Energy: 0.6795165451156395
Energy: 0.6650288199828788
Energy: 0.6793798224343296
Energy: 0.6650288199828788
Energy: 0.6793798224348447
Energy: 0.6650288199833938
Energy: 0.6793798224343296
Energy: 0.7097356687620799
Energy: 0.6515960803628044
Energy: 0.7097356687620799
Energy: 0.6515960803628044
Energy: 0.7097356687620799
Energy: 0.6515960803622891
Energy: 0.6516513453328204
Energy: 0.7080545377724266
Energy: 0.6516513453323054
Energy: 0.7080545377770624
Energy: 0.6516513453323054
Energy: 0.7080545377734567
Energy: 0.7320513946060583
Energy: 0.797220991278737
Energy: 0.7320513946055431
Energy: 0.7972209912797673
Energy: 0.7320513946055431
Energy: 0.797220991278737
Energy: 0.6793934172959946
Energy: 0.6832626245042731
Energy: 0.6793934172959946
Energy: 0.6832626245063335
Energy: 0.6793934172959946
Energy: 0.6832626245047881
Energy: 0.7320626912394336
Energy: 0.7971815429710601
Energy: 0.7320626912384034
Energy: 0.7971815429710601
Energy: 0.7320626912378881
Energy: 0.7971815429710601
Energy: 0.6516607980702477
Energy: 0.7079636974400692
Energy: 0.6516607980702477
Energy: 0.7079636974385238
Energy: 0.6516607980702477
Energy: 0.7079636974400692
Energy: 0.709735594295112
Energy: 0.6516180443037382
Energy: 0.709735594295112
Energy: 0.6516180443037382
Energy: 0.709735594295112
Energy: 0.6516180443037382
Energy: 0.6648691005982695
Energy: 0.6795165451151244
Energy: 0.6648691005987848
Energy: 0.6795165451156395
Energy: 0.6648691005987848
Energy: 0.6795165451156395
Energy: 0.6650288199833938
Energy: 0.6793798224343296
Energy: 0.6650288199833938
Energy: 0.6793798224343296
Energy: 0.6650288199833938
Energy: 0.6793798224343296
Energy: 0.7097356687615649
Energy: 0.6515960803628044
Energy: 0.7097356687620799
Energy: 0.6515960803622891
Energy: 0.7097356687610498
Energy: 0.6515960803622891
Energy: 0.6516513453333356
Energy: 0.7080545377760323
Energy: 0.6516513453328204
Energy: 0.7080545377729417
Energy: 0.6516513453323054
Energy: 0.7080545377739719
Energy: 0.7320513946055431
Energy: 0.797220991278737
Energy: 0.7320513946055431
Energy: 0.7972209912792523
Energy: 0.7320513946045129
Energy: 0.7972209912792523
Energy: 0.6793934172959946
Energy: 0.6832626245058183
Energy: 0.6793934172959946
Energy: 0.6832626245042731
Energy: 0.6793934172959946
Energy: 0.6832626245047881
Energy: 0.7320626912384034
Energy: 0.7971815429710601
Energy: 0.7320626912363429
Energy: 0.7971815429710601
Energy: 0.7320626912378881
Energy: 0.797181542970545
Energy: 0.6516607980702477
Energy: 0.7079636974395539
Energy: 0.6516607980707628
Energy: 0.7079636974410993
Energy: 0.6516607980707628
Energy: 0.7079636974410993
Energy: 0.709735594295112
Energy: 0.6516180443037382
Energy: 0.709735594295112
Energy: 0.6516180443037382
Energy: 0.709735594295112
Energy: 0.6516180443037382
Energy: 0.6648691005987848
Energy: 0.6795165451151244
Energy: 0.6648691005992998
Energy: 0.6795165451151244
Energy: 0.6648691005992998
Energy: 0.6795165451151244
Energy: 0.665028819983909
Energy: 0.6793798224343296
Energy: 0.665028819983909
Energy: 0.6793798224343296
Energy: 0.6650288199833938
Energy: 0.6793798224348447
Energy: 0.7097356687615649
Energy: 0.6515960803622891
Energy: 0.7097356687610498
Energy: 0.6515960803622891
Energy: 0.7097356687615649
Energy: 0.6515960803628044
Energy: 0.6516513453328204
Energy: 0.7080545377760323
Energy: 0.6516513453328204
Energy: 0.7080545377755172
Energy: 0.6516513453328204
Energy: 0.7080545377729417
Energy: 0.7320513946070649
Energy: 0.797220991278737
Energy: 0.7320513946070649
Energy: 0.7972209912792523
Energy: 0.7320513946065499
Energy: 0.797220991278737
Energy: 0.6793934172959946
Energy: 0.6832626245053033
Energy: 0.6793934172959946
Energy: 0.6832626245047881
Energy: 0.6793934172959946
Energy: 0.6832626245037581
Energy: 0.732062691237373
Energy: 0.797181542970545
Energy: 0.732062691237373
Energy: 0.7971815429710601
Energy: 0.732062691237373
Energy: 0.797181542970545
Energy: 0.6516607980702477
Energy: 0.7079636974410993
Energy: 0.6516607980702477
Energy: 0.7079636974385238
Energy: 0.6516607980702477
Energy: 0.7079636974410993

minimum gb energy = 0.6515960803622891 eV
minimum distance =  2.58770154337421 Angstroms
sigma value = 27


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

Energy: 0.6641950418360753
Energy: 0.6373972748101908
Energy: 0.6641950418360753
Energy: 0.6373972748101908
Energy: 0.6641950418360753
Energy: 0.6373972748101908
Energy: 0.744833443070128
Energy: 0.6213025788823326
Energy: 0.7448334430688663
Energy: 0.6213025788823326
Energy: 0.7448334430688663
Energy: 0.6213025788823326
Energy: 0.6486075842973539
Energy: 0.7273049921781125
Energy: 0.6486075842973539
Energy: 0.7273049921781125
Energy: 0.6486075842960922
Energy: 0.7273049921818976
Energy: 0.714172755293894
Energy: 0.6284589663933958
Energy: 0.7141727552926322
Energy: 0.6284589663933958
Energy: 0.7141727552926322
Energy: 0.6284589663933958
Energy: 0.7516094420370701
Energy: 0.623009387950199
Energy: 0.7516094420370701
Energy: 0.623009387950199
Energy: 0.7516094420358084
Energy: 0.623009387950199
Energy: 0.7195876013965714
Energy: 0.7569796006422118
Energy: 0.7195876013965714
Energy: 0.7569796006422118
Energy: 0.7195876013965714
Energy: 0.7569796006422118
Energy: 0.6228624662001884
Energy: 0.6636588925485402
Energy: 0.62286246620145
Energy: 0.6636588925498019
Energy: 0.62286246620145
Energy: 0.6636588925485402
Energy: 0.6672699820828182
Energy: 0.6400252279484941
Energy: 0.6672699820828182
Energy: 0.6400252279484941
Energy: 0.6672699820828182
Energy: 0.6400252279484941
Energy: 0.7044221968868757
Energy: 0.6487224225394764
Energy: 0.7044221968881373
Energy: 0.6487224225394764
Energy: 0.7044221968868757
Energy: 0.6487224225394764
Energy: 0.6897907432072139
Energy: 0.7401772306138009
Energy: 0.6897907432084757
Energy: 0.7401772306138009
Energy: 0.6897907432084757
Energy: 0.7401772306138009
Energy: 0.6379692659169511
Energy: 0.6226572848149252
Energy: 0.6379692659169511
Energy: 0.6226572848149252
Energy: 0.6379692659169511
Energy: 0.6226572848149252
Energy: 0.749943705933299
Energy: 0.704072346276956
Energy: 0.749943705933299
Energy: 0.704072346276956
Energy: 0.749943705933299
Energy: 0.704072346276956

minimum gb energy = 0.6213025788823326 eV
minimum distance =  2.46014877032648 Angstroms
sigma value = 9


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

Energy: 0.6322538779038726
Energy: 0.6059515296527146
Energy: 0.6322538779031636
Energy: 0.6059515296516511
Energy: 0.6322538779042272
Energy: 0.6059515296534237
Energy: 0.6267894574415424
Energy: 0.5819514592387869
Energy: 0.6267894574457965
Energy: 0.5819514592387869
Energy: 0.626789457441188
Energy: 0.5819514592384324
Energy: 0.5582773076470378
Energy: 0.6176600407713024
Energy: 0.5582773076459742
Energy: 0.6176600407705934
Energy: 0.5582773076473923
Energy: 0.617660040771657
Energy: 0.5772861613111899
Energy: 0.5667086198693374
Energy: 0.5772861613111899
Energy: 0.5667086198693374
Energy: 0.5772861613104808
Energy: 0.5667086198696918
Energy: 0.6111399409416263
Energy: 0.583648647767783
Energy: 0.6111399409416263
Energy: 0.5836486477684921
Energy: 0.6111399409419808
Energy: 0.5836486477674284
Energy: 0.6176952477875308
Energy: 0.6159969988706375
Energy: 0.6176952477896579
Energy: 0.615996998870992
Energy: 0.6176952477907215
Energy: 0.615996998870283
Energy: 0.5872211363871295
Energy: 0.6427971592453279
Energy: 0.5872211363878383
Energy: 0.6427971592435552
Energy: 0.5872211363874839
Energy: 0.6427971592449734
Energy: 0.5441618204707375
Energy: 0.6176093762821486
Energy: 0.544161820471092
Energy: 0.6176093762849847
Energy: 0.5441618204707375
Energy: 0.6176093762842757
Energy: 0.566480367287982
Energy: 0.5834201946516372
Energy: 0.5664803672894002
Energy: 0.5834201946505737
Energy: 0.566480367287982
Energy: 0.5834201946502191
Energy: 0.6148325302397394
Energy: 0.6015999547999632
Energy: 0.6148325302404485
Energy: 0.6015999548013813
Energy: 0.614832530240094
Energy: 0.601599954797127
Energy: 0.5809006864154419
Energy: 0.5627442423060648
Energy: 0.5809006864165054
Energy: 0.5627442423064194
Energy: 0.5809006864143784
Energy: 0.5627442423064194
Energy: 0.5748234114018482
Energy: 0.6178383494401649
Energy: 0.5748234114014936
Energy: 0.6178383494405195
Energy: 0.5748234114011392
Energy: 0.6178383494405195
Energy: 0.6092803202446422
Energy: 0.5971969550275553
Energy: 0.6092803202446422
Energy: 0.5971969550272009
Energy: 0.6092803202453512
Energy: 0.5971969550272009
Energy: 0.6317119036389467
Energy: 0.6098986282464441
Energy: 0.6317119036385922
Energy: 0.609898628245735
Energy: 0.6317119036432008
Energy: 0.6098986282450259
Energy: 0.5669477668296513
Energy: 0.6187678643137239
Energy: 0.5669477668292968
Energy: 0.6187678643147875
Energy: 0.5669477668303603
Energy: 0.6187678643144328
Energy: 0.5576428406325459
Energy: 0.6027872056836499
Energy: 0.5576428406307733
Energy: 0.6027872056840045
Energy: 0.5576428406329004
Energy: 0.6027872056847134
Energy: 0.68607161943846
Energy: 0.561655667714079
Energy: 0.6860716194388145
Energy: 0.561655667711243
Energy: 0.6860716194373964
Energy: 0.5616556677197513
Energy: 0.5792359133179852
Energy: 0.5842867147584996
Energy: 0.5792359133179852
Energy: 0.5842867147584996
Energy: 0.5792359133183397
Energy: 0.5842867147584996
Energy: 0.5486986858298446
Energy: 0.6516931207413359
Energy: 0.5486986858298446
Energy: 0.6516931207420449
Energy: 0.5486986858291356
Energy: 0.6516931207367272
Energy: 0.6635709406903245
Energy: 0.5483830739255001
Energy: 0.6635709406910336
Energy: 0.5483830739265636
Energy: 0.663570940689261
Energy: 0.5483830739244366
Energy: 0.5488854323613286
Energy: 0.6518255132885136
Energy: 0.5488854323613286
Energy: 0.6518255132863865
Energy: 0.5488854323613286
Energy: 0.651825513286741
Energy: 0.5792452012957239
Energy: 0.5843586310967851
Energy: 0.5792452012957239
Energy: 0.5843586310971395
Energy: 0.5792452012957239
Energy: 0.5843586310971395
Energy: 0.6861992745335639
Energy: 0.5615672446216752
Energy: 0.6861992745335639
Energy: 0.5615672446220297
Energy: 0.686199274534273
Energy: 0.5615672446223843
Energy: 0.5577919287975096
Energy: 0.5872886724997325
Energy: 0.5577919287975096
Energy: 0.5872886724997325
Energy: 0.5577919287978641
Energy: 0.5872886724990235
Energy: 0.5669112185520816
Energy: 0.6186606589742247
Energy: 0.5669112185520816
Energy: 0.6186606589742247
Energy: 0.5669112185517271
Energy: 0.6186606589742247
Energy: 0.6317322091971913
Energy: 0.6098941178924585
Energy: 0.6317322092056995
Energy: 0.6098941178924585
Energy: 0.6317322092124353
Energy: 0.6098941178928129
Energy: 0.6091597476817611
Energy: 0.5971412776949622
Energy: 0.6091597476814067
Energy: 0.5971412776946078
Energy: 0.6091597476814067
Energy: 0.5971412776946078
Energy: 0.5747825360896808
Energy: 0.5645075230568799
Energy: 0.5747825360900352
Energy: 0.5645075230565254
Energy: 0.5747825360893263
Energy: 0.5645075230558163
Energy: 0.5809166034383526
Energy: 0.5627660102533866
Energy: 0.5809166034383526
Energy: 0.562766010253741
Energy: 0.5809166034372891
Energy: 0.5627660102533866
Energy: 0.6148882816627057
Energy: 0.5399782509122226
Energy: 0.6148882816637693
Energy: 0.539978250911868
Energy: 0.6148882816630602
Energy: 0.5399782509129315
Energy: 0.5665297055629563
Energy: 0.5834925150300103
Energy: 0.5665297055640198
Energy: 0.5834925150303649
Energy: 0.5665297055647288
Energy: 0.5834925150300103
Energy: 0.544161486218703
Energy: 0.6173730410935933
Energy: 0.5441614862183485
Energy: 0.6173730410918207
Energy: 0.5441614862190575
Energy: 0.6173730410935933
Energy: 0.5870799125682852
Energy: 0.6427481715323616
Energy: 0.5870799125689942
Energy: 0.6427481715309435
Energy: 0.5870799125679307
Energy: 0.6427481715320071
Energy: 0.617595106464075
Energy: 0.5706807016324844
Energy: 0.6175951064644296
Energy: 0.5706807016321298
Energy: 0.6175951064637205
Energy: 0.5706807016321298
Energy: 0.611164481689799
Energy: 0.5835420054098163
Energy: 0.6111644816890899
Energy: 0.5835420054098163
Energy: 0.611164481689799
Energy: 0.5835420054105254
Energy: 0.5772694879161585
Energy: 0.5666499159635768
Energy: 0.577269487916513
Energy: 0.5666499159635768
Energy: 0.577269487916513
Energy: 0.5666499159635768
Energy: 0.5581561658106741
Energy: 0.6177229923842749
Energy: 0.5581561658096106
Energy: 0.6177229923842749
Energy: 0.5581561658103196
Energy: 0.6177229923842749
Energy: 0.6271476366978508
Energy: 0.5840190460531453
Energy: 0.6271476366985597
Energy: 0.5840190460531453
Energy: 0.6271476366978508
Energy: 0.5840190460531453
Energy: 0.6322538779063542
Energy: 0.6059515296523601
Energy: 0.6322538779077722
Energy: 0.6059515296523601
Energy: 0.6322538779067087
Energy: 0.6059515296523601
Energy: 0.6267894574518234
Energy: 0.544206650769904
Energy: 0.6267894574482783
Energy: 0.544206650770613
Energy: 0.6267894574518234
Energy: 0.5442066507702585
Energy: 0.5582773076473923
Energy: 0.6176600407705934
Energy: 0.5582773076484557
Energy: 0.6176600407713024
Energy: 0.5582773076473923
Energy: 0.6176600407709479
Energy: 0.5772861613094173
Energy: 0.5667086198661467
Energy: 0.5772861613097718
Energy: 0.5667086198661467
Energy: 0.5772861613094173
Energy: 0.5667086198665012
Energy: 0.6111399409437533
Energy: 0.583648647767783
Energy: 0.6111399409441078
Energy: 0.583648647767074
Energy: 0.6111399409448168
Energy: 0.5836486477674284

minimum gb energy = 0.539978250911868 eV
minimum distance =  2.55299099868736 Angstroms
sigma value = 57


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

Energy: 0.24091980303839672
Energy: 0.24752350175299934
Energy: 0.24091980303839672
Energy: 0.24752350175380633
Energy: 0.24091980303839672
Energy: 0.24752350175380633
Energy: 0.33373404740146506
Energy: 0.342805909270428
Energy: 0.3337340474006581
Energy: 0.342805909270428
Energy: 0.3337340474006581
Energy: 0.342805909270428
Energy: 0.2790051267028144
Energy: 0.3127223060934192
Energy: 0.2790051267020074
Energy: 0.3127223060942262
Energy: 0.2790051267028144
Energy: 0.3127223060934192
Energy: 0.24978334382854447
Energy: 0.24119159476757393
Energy: 0.24978334382450948
Energy: 0.24119159476757393
Energy: 0.24978334382370246
Energy: 0.24119159476757393
Energy: 0.334434909504027
Energy: 0.3342270320677731
Energy: 0.334434909504027
Energy: 0.3342270320677731
Energy: 0.334434909504027
Energy: 0.3342270320685801
Energy: 0.24131384422095217
Energy: 0.27850460580853087
Energy: 0.24131384422095217
Energy: 0.27850460580853087
Energy: 0.24131384422095217
Energy: 0.27850460580772396
Energy: 0.2413313350719962
Energy: 0.27929921565063276
Energy: 0.24133133507280316
Energy: 0.27929921565063276
Energy: 0.2413313350719962
Energy: 0.27929921565063276
Energy: 0.33427096059868283
Energy: 0.3342155662602418
Energy: 0.33427096059868283
Energy: 0.3342155662594348
Energy: 0.3342709605978758
Energy: 0.3342155662594348
Energy: 0.2490508127006355
Energy: 0.2411688401116595
Energy: 0.2490508127006355
Energy: 0.2411688401116595
Energy: 0.24905081270224952
Energy: 0.2411688401116595
Energy: 0.27885521375803135
Energy: 0.3125976683973379
Energy: 0.27885521375803135
Energy: 0.3125976683973379
Energy: 0.2788552137588383
Energy: 0.3125976683973379
Energy: 0.33371559608593604
Energy: 0.3429570197184337
Energy: 0.33371559608593604
Energy: 0.3429570197297317
Energy: 0.33371559608593604
Energy: 0.3429570197192407
Energy: 0.24091980303839672
Energy: 0.24752350175138532
Energy: 0.24091980303839672
Energy: 0.24752350175219232
Energy: 0.24091980303839672
Energy: 0.24752350175057833
Energy: 0.3337340474006581
Energy: 0.342805909270428
Energy: 0.3337340474006581
Energy: 0.34280590927123494
Energy: 0.3337340474006581
Energy: 0.342805909270428
Energy: 0.2790051267020074
Energy: 0.3127223060942262
Energy: 0.2790051267028144
Energy: 0.3127223060942262
Energy: 0.2790051267012004
Energy: 0.3127223060942262
Energy: 0.24978334382208847
Energy: 0.24119159476757393
Energy: 0.24978334382128142
Energy: 0.24119159476757393
Energy: 0.24978334382450948
Energy: 0.24119159476757393
Energy: 0.334434909504027
Energy: 0.3342270320669661
Energy: 0.33443490950321997
Energy: 0.3342270320693871
Energy: 0.334434909504027
Energy: 0.3342270320685801
Energy: 0.24131384422095217
Energy: 0.27850460580853087
Energy: 0.24131384422095217
Energy: 0.2785046058093379
Energy: 0.24131384422095217
Energy: 0.2785046058093379
Energy: 0.2413313350719962
Energy: 0.27929921565063276
Energy: 0.2413313350719962
Energy: 0.27929921565063276
Energy: 0.2413313350719962
Energy: 0.27929921565063276
Energy: 0.33427096059868283
Energy: 0.3342155662594348
Energy: 0.33427096059868283
Energy: 0.3342155662594348
Energy: 0.33427096059868283
Energy: 0.3342155662594348

minimum gb energy = 0.24091980303839672 eV
minimum distance =  2.60135808685236 Angstroms
sigma value = 11


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

Energy: 0.5009998843056891
Energy: 0.48956501997499213
Energy: 0.5009998843086448
Energy: 0.4895650199791301
Energy: 0.5009998843056891
Energy: 0.4895650199791301
Energy: 0.6115076901344193
Energy: 0.4635159701522205
Energy: 0.6115076901350105
Energy: 0.4635159701534028
Energy: 0.6115076901344193
Energy: 0.4635159701534028
Energy: 0.5754249950927041
Energy: 0.6941931907300449
Energy: 0.575424995092113
Energy: 0.6941931907288627
Energy: 0.575424995092113
Energy: 0.6941931907300449
Energy: 0.5979864780560881
Energy: 0.4698477912511387
Energy: 0.597986478055497
Energy: 0.4698477912511387
Energy: 0.597986478055497
Energy: 0.4698477912511387
Energy: 0.4642038159134682
Energy: 0.44692863885554013
Energy: 0.46420381592287274
Energy: 0.44692863885494905
Energy: 0.46420381592641957
Energy: 0.44692863885554013
Energy: 0.5594697898065805
Energy: 0.46332845278669094
Energy: 0.5594697898059894
Energy: 0.46332845278669094
Energy: 0.5594697898095362
Energy: 0.46332845278669094
Energy: 0.4429451329313983
Energy: 0.49839820977227917
Energy: 0.4429451329308072
Energy: 0.49839820977227917
Energy: 0.44294513293198945
Energy: 0.49839820977227917
Energy: 0.5519483433043002
Energy: 0.4234321148077611
Energy: 0.5519483433037091
Energy: 0.42343211480835224
Energy: 0.5519483433031179
Energy: 0.4234321148077611
Energy: 0.5499693743840633
Energy: 0.4262763999051221
Energy: 0.5499693743852455
Energy: 0.4262763999051221
Energy: 0.5499693743834722
Energy: 0.4262763999051221
Energy: 0.434831074904947
Energy: 0.6441876602930204
Energy: 0.434831074904947
Energy: 0.6441876602930204
Energy: 0.43483107490376466
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Energy: 0.5769711958126591
Energy: 0.5808337207770446
Energy: 0.5769711958114769
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Energy: 0.46521450634513933
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Energy: 0.6736282112495685
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Energy: 0.6736282112501598
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Energy: 0.6736282112507509
Energy: 0.6083177196123587
Energy: 0.46611859046052484
Energy: 0.608317719617679
Energy: 0.46611859045756915
Energy: 0.6083177196111764
Energy: 0.46611859045934256
Energy: 0.4967512092748848
Energy: 0.4896042340444234
Energy: 0.4967512092754759
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Energy: 0.4967512092754759
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Energy: 0.4750056519422226
Energy: 0.46084648686478935
Energy: 0.47500565194163147
Energy: 0.46084648686478935
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Energy: 0.46084648686478935
Energy: 0.7338034716797465
Energy: 0.5298314363188326
Energy: 0.7338034716803377
Energy: 0.5298314363182415
Energy: 0.7338034716803377
Energy: 0.529831436320606
Energy: 0.5472248918741831
Energy: 0.4672779779819449
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Energy: 0.4672779779813538
Energy: 0.5472248918741831
Energy: 0.4672779779825361
Energy: 0.4653051913964685
Energy: 0.5359725302349968
Energy: 0.46530519139587734
Energy: 0.5359725302349968
Energy: 0.46530519139705967
Energy: 0.5359725302349968
Energy: 0.4351075985384831
Energy: 0.4658311983186963
Energy: 0.4351075985384831
Energy: 0.4658311983175141
Energy: 0.435107598537892
Energy: 0.4658311983246078
Energy: 0.4742498419993098
Energy: 0.4972679208166631
Energy: 0.4742498419981276
Energy: 0.49726792081607196
Energy: 0.474249841999901
Energy: 0.49726792081607196
Energy: 0.4809388762155077
Energy: 0.4846803899574284
Energy: 0.48093887621432546
Energy: 0.48468038995683715
Energy: 0.48093887621432546
Energy: 0.48468038995683715
Energy: 0.5473580593710599
Energy: 0.45563977482454937
Energy: 0.5473580593716512
Energy: 0.45563977482454937
Energy: 0.5473580593716512
Energy: 0.4556397748239583
Energy: 0.4353588997851966
Energy: 0.6443349199544445
Energy: 0.4353588997851966
Energy: 0.6443349199574002
Energy: 0.4353588997857877
Energy: 0.6443349199568091
Energy: 0.8371698327699736
Energy: 0.5808645816146752
Energy: 0.8371698327693825
Energy: 0.5808645816152664
Energy: 0.8371698327699736
Energy: 0.5808645816152664

minimum gb energy = 0.4234321148077611 eV
minimum distance =  2.53271808010011 Angstroms
sigma value = 41


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

Energy: 0.5935618619461145
Energy: 0.5028415669581958
Energy: 0.5935618619461145
Energy: 0.5028415669586616
Energy: 0.5935618619461145
Energy: 0.5028415669591276
Energy: 0.5498100393207196
Energy: 0.5415571873825015
Energy: 0.5498100393230493
Energy: 0.541557187385763
Energy: 0.5498100393235152
Energy: 0.5415571873834333
Energy: 0.5710016429276317
Energy: 0.6070201235758772
Energy: 0.5710016428791969
Energy: 0.6070201235777409
Energy: 0.5710016429183132
Energy: 0.6070201235754114
Energy: 0.5407709568794518
Energy: 0.49611644315768894
Energy: 0.5407709568789859
Energy: 0.49611644315768894
Energy: 0.5407709568794518
Energy: 0.49611644315768894
Energy: 0.4805149024627017
Energy: 0.5306684542123418
Energy: 0.48051490246176987
Energy: 0.5306684542118759
Energy: 0.48051490246176987
Energy: 0.5306684542118759
Energy: 0.6548955665147133
Energy: 0.5509765460430195
Energy: 0.6548955665151791
Energy: 0.5509765460439514
Energy: 0.6548955665147133
Energy: 0.5509765460439514
Energy: 0.49612886436579895
Energy: 0.7132443134035916
Energy: 0.49612886436579895
Energy: 0.7132443134031257
Energy: 0.4961288643653331
Energy: 0.7132443134031257
Energy: 0.47982805807921525
Energy: 0.49632294049597275
Energy: 0.47982805807968115
Energy: 0.49632294049597275
Energy: 0.47982805807968115
Energy: 0.4963229404955068
Energy: 0.4910104900323873
Energy: 0.5182918529283238
Energy: 0.49101049003192127
Energy: 0.5182918529287897
Energy: 0.4910104900323873
Energy: 0.5182918529283238
Energy: 0.5418901251136706
Energy: 0.5555246634875116
Energy: 0.5418901251136706
Energy: 0.5555246634861138
Energy: 0.5418901251132047
Energy: 0.5555246634893752
Energy: 0.5381984873667746
Energy: 0.5583497346802254
Energy: 0.5381984873672406
Energy: 0.5583497346797595
Energy: 0.5381984873663087
Energy: 0.5583497346802254
Energy: 0.47586272598973284
Energy: 0.5233049275583973
Energy: 0.47586272599113066
Energy: 0.5233049275705114
Energy: 0.47586272599066476
Energy: 0.5233049275579313
Energy: 0.4797918935268928
Energy: 0.492471412417592
Energy: 0.47979189352735874
Energy: 0.49247141241712605
Energy: 0.4797918935268928
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Energy: 0.4596710690831764
Energy: 0.5492305179200033
Energy: 0.45967106908364236
Energy: 0.5492305179200033
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Energy: 0.5492305179204692
Energy: 0.5376084719251449
Energy: 0.5240014813052932
Energy: 0.5376084719237472
Energy: 0.5240014813057592
Energy: 0.5376084719204857
Energy: 0.5240014813043614
Energy: 0.4576117812957377
Energy: 0.6222893803492735
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Energy: 0.6222893803492735
Energy: 0.4576117812957377
Energy: 0.6222893803492735
Energy: 0.483584114231833
Energy: 0.49247561939158324
Energy: 0.48358411423276493
Energy: 0.49247561939158324
Energy: 0.4835841142346286
Energy: 0.4924756193920491
Energy: 0.5101537573399991
Energy: 0.6079577880942356
Energy: 0.5101537573413969
Energy: 0.6079577880923718
Energy: 0.5101537573409309
Energy: 0.6079577880928378
Energy: 0.5519976972222816
Energy: 0.5419787918081153
Energy: 0.5519976972190203
Energy: 0.5419787918043879
Energy: 0.5519976972208839
Energy: 0.5419787918076494
Energy: 0.5366215745772409
Energy: 0.4986078381196697
Energy: 0.536621574576775
Energy: 0.49860783812246523
Energy: 0.5366215745786387
Energy: 0.4986078381192038
Energy: 0.4926214719560271
Energy: 0.5443483254455812
Energy: 0.4926214719560271
Energy: 0.5443483254455812
Energy: 0.492621471956493
Energy: 0.5443483254479108
Energy: 0.5207173126442152
Energy: 0.6051352261024447
Energy: 0.5207173126549313
Energy: 0.6051352261029107
Energy: 0.5207173126553973
Energy: 0.6051352261029107
Energy: 0.5397684695340308
Energy: 0.4924402531767566
Energy: 0.5397684695330991
Energy: 0.4924402531776885
Energy: 0.5397684695340308
Energy: 0.4924402531767566
Energy: 0.4577150433912432
Energy: 0.5406494486805767
Energy: 0.4577150433907773
Energy: 0.5406494486805767
Energy: 0.4577150433912432
Energy: 0.5406494486805767
Energy: 0.45732347225591335
Energy: 0.6490630374675855
Energy: 0.45732347225591335
Energy: 0.649063037464324
Energy: 0.45732347225591335
Energy: 0.6490630374666537
Energy: 0.49416845560097616
Energy: 0.5540314481481782
Energy: 0.4941684556019081
Energy: 0.5540314481486441
Energy: 0.4941684556019081
Energy: 0.5540314481477122
Energy: 0.48502708030417985
Energy: 0.49259362463021544
Energy: 0.4850270803018502
Energy: 0.49259362463021544
Energy: 0.4850270803018502
Energy: 0.49259362462928363
Energy: 0.4902676122143339
Energy: 0.5313509581816777
Energy: 0.4902676122143339
Energy: 0.5313509581812118
Energy: 0.4902676122143339
Energy: 0.5313509581816777
Energy: 0.5363055629856783
Energy: 0.5607428181859223
Energy: 0.5363055629847465
Energy: 0.5607428181849905
Energy: 0.5363055629852125
Energy: 0.5607428181849905
Energy: 0.5956675448641424
Energy: 0.520588505750276
Energy: 0.5956675448636765
Energy: 0.5205885057498101
Energy: 0.5956675448641424
Energy: 0.520588505750276
Energy: 0.47735247978395084
Energy: 0.5237709889766762
Energy: 0.47735247978395084
Energy: 0.5237709889715509
Energy: 0.4773524797844168
Energy: 0.5237709889734147
Energy: 0.4995392609249551
Energy: 0.5199383550777011
Energy: 0.4995392609249551
Energy: 0.5199383550781671
Energy: 0.4995392609249551
Energy: 0.5199383550777011
Energy: 0.45722523541850063
Energy: 0.5083697188016724
Energy: 0.4572252354189666
Energy: 0.5083697187993428
Energy: 0.45722523541850063
Energy: 0.5083697188012064

minimum gb energy = 0.45722523541850063 eV
minimum distance =  2.5639915184462 Angstroms
sigma value = 33


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

Energy: 0.6153207245599535
Energy: 0.5493412537191039
Energy: 0.5821730013645926
Energy: 0.5493412537191039
Energy: 0.6153207245599535
Energy: 0.5493412537148531
Energy: 0.6247346451312439
Energy: 0.5330979266946916
Energy: 0.6247346451345138
Energy: 0.5330979266950185
Energy: 0.624734645131571
Energy: 0.5330979266953455
Energy: 0.5759213457027577
Energy: 0.6137925759440178
Energy: 0.5759213457047196
Energy: 0.6137925759440178
Energy: 0.5759213457034117
Energy: 0.6137925759495767
Energy: 0.5376539383036432
Energy: 0.5448951865813606
Energy: 0.5376539383033162
Energy: 0.5448951865816877
Energy: 0.5376539383059321
Energy: 0.5448951865839765
Energy: 0.571371804220214
Energy: 0.6037993140295245
Energy: 0.5715217899776227
Energy: 0.6037993140282165
Energy: 0.57137180421956
Energy: 0.6037993140305055
Energy: 0.6429626504262284
Energy: 0.5281951779388988
Energy: 0.6429626504259014
Energy: 0.5281951779382449
Energy: 0.6429626504226315
Energy: 0.528195177932686
Energy: 0.562456974451104
Energy: 0.6180403315898135
Energy: 0.562456974448815
Energy: 0.6180403315888325
Energy: 0.562456974451431
Energy: 0.6180403315947183
Energy: 0.5647165275500471
Energy: 0.5658633657290578
Energy: 0.5647165275516821
Energy: 0.565863365728731
Energy: 0.564716527550374
Energy: 0.5658633657297119
Energy: 0.6618784273809738
Energy: 0.5771657802351061
Energy: 0.6618864318058862
Energy: 0.5771657802354332
Energy: 0.6618784273809738
Energy: 0.577165780240665
Energy: 0.7490133532198437
Energy: 0.550238488399319
Energy: 0.7490133532178819
Energy: 0.550238488399319
Energy: 0.7490133532198437
Energy: 0.5502384884042238
Energy: 0.5917337783472133
Energy: 0.5549961367378208
Energy: 0.5917337783468863
Energy: 0.5549961367374937
Energy: 0.5917337783472133
Energy: 0.5549961367378208
Energy: 0.6408497601597088
Energy: 0.5451301629833223
Energy: 0.6408497600842039
Energy: 0.5451301629836494
Energy: 0.6408497601378303
Energy: 0.5451301629784175
Energy: 0.5421246808485283
Energy: 0.616570431209082
Energy: 0.5421246808488552
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Energy: 0.5789756197384768
Energy: 0.5915841898748357
Energy: 0.5789756197342556
Energy: 0.5915841898745087
Energy: 0.5789756197381498
Energy: 0.5915841898715658
Energy: 0.5705825801100604
Energy: 0.5253816830176425
Energy: 0.5705825801097334
Energy: 0.5253816830199315
Energy: 0.5705825801103873
Energy: 0.5253816830205854
Energy: 0.5681254015821136
Energy: 0.6170969777585427
Energy: 0.5681254015808057
Energy: 0.6170969777565808
Energy: 0.5681254015821136
Energy: 0.6170969777575617
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Energy: 0.5382232199115292
Energy: 0.5791826112339906
Energy: 0.5382232199108753
Energy: 0.5791826112362796
Energy: 0.5382232199023735
Energy: 0.541315987085041
Energy: 0.5749826857582483
Energy: 0.5413158161896261
Energy: 0.5749826857592293
Energy: 0.541315987084714
Energy: 0.5749826857621722
Energy: 0.615824250188699
Energy: 0.5764227224591202
Energy: 0.6158242501864101
Energy: 0.5764227224587931
Energy: 0.615824250187391
Energy: 0.5764227224607551
Energy: 0.6016101665975356
Energy: 0.5431962428750002
Energy: 0.6016101665968817
Energy: 0.5431962428759812
Energy: 0.6016101665968817
Energy: 0.5431962428717303
Energy: 0.5358099035462165
Energy: 0.5535702572073758
Energy: 0.5358099035452355
Energy: 0.5535702572070489
Energy: 0.5358099035462165
Energy: 0.5535702572080299
Energy: 0.5296751678674911
Energy: 0.624383865593735
Energy: 0.5296902161852173
Energy: 0.624383865594062
Energy: 0.5296751678678181
Energy: 0.6243838655885032
Energy: 0.5704482774701553
Energy: 0.5207104909674767
Energy: 0.5704482774685203
Energy: 0.5207104909681306
Energy: 0.5704482774698283
Energy: 0.5207104909697656
Energy: 0.5489352171145723
Energy: 0.595043859125373
Energy: 0.5489352171119564
Energy: 0.5950438591263539
Energy: 0.5489352171152262
Energy: 0.5950438591279889
Energy: 0.5821787897649464
Energy: 0.5381769333310272
Energy: 0.5821787897665814
Energy: 0.5381769333313541
Energy: 0.5821787897656003
Energy: 0.5381769333372401
Energy: 0.5257807428822793
Energy: 0.5736106908558901
Energy: 0.5257807428799904
Energy: 0.5736106908581791
Energy: 0.5257807428826063
Energy: 0.5736106908529472
Energy: 0.5855489385483896
Energy: 0.5644005469456919
Energy: 0.5855489385490437
Energy: 0.5644005469463458
Energy: 0.5855489385483896
Energy: 0.5644005469434029
Energy: 0.5991785691318355
Energy: 0.5471489110757427
Energy: 0.5637096530713126
Energy: 0.5471489110763967
Energy: 0.5991785691318355
Energy: 0.5471489110773776
Energy: 0.5786882116921928
Energy: 0.6166795327831883
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Energy: 0.6166795327822074
Energy: 0.5786882116921928
Energy: 0.6166795327802455
Energy: 0.5460265884407538
Energy: 0.619500345741475
Energy: 0.5460265884400998
Energy: 0.6195003457489957
Energy: 0.5460265884404267
Energy: 0.6195003457457258
Energy: 0.5369056425702694
Energy: 0.5390388381640584
Energy: 0.5369056425755012
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Energy: 0.6372209000070117
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Energy: 0.5255871715898781
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Energy: 0.5743357958909322
Energy: 0.5886045269322207
Energy: 0.5743357958906051
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Energy: 0.5567746905767854
Energy: 0.5741258573578437
Energy: 0.5567746905748235
Energy: 0.5741258573578437
Energy: 0.5567746905761315
Energy: 0.5741258573555549
Energy: 0.6013890945520156
Energy: 0.5616314630461288
Energy: 0.6016200005168946
Energy: 0.5616314630464556
Energy: 0.6013890945510347
Energy: 0.5616314630412239
Energy: 0.5489838685123191
Energy: 0.6064460305243016
Energy: 0.5489838685136269
Energy: 0.6064460305282255
Energy: 0.548983868511992
Energy: 0.6064460305256095
Energy: 0.5728344102649683
Energy: 0.5390825402977889
Energy: 0.5728344102646413
Energy: 0.539082540298116
Energy: 0.5728344102652952
Energy: 0.5390825402941921
Energy: 0.5820095197310874
Energy: 0.619446303372994
Energy: 0.5820091674002305
Energy: 0.619446303372994
Energy: 0.5820095197307603
Energy: 0.6194463033720131
Energy: 0.5410877826553528
Energy: 0.6073459320003549
Energy: 0.541087782652737
Energy: 0.6073459320006819
Energy: 0.541087782655026
Energy: 0.607345932001009
Energy: 0.5635734856626243
Energy: 0.5449857412080407
Energy: 0.5635734856642592
Energy: 0.5449857412083676
Energy: 0.5635734856623271
Energy: 0.5449857412106566
Energy: 0.6220055527704884
Energy: 0.5293210850410371
Energy: 0.6220055527695074
Energy: 0.5293210850403831
Energy: 0.6220055527701615
Energy: 0.5293210850322084
Energy: 0.562029493534321
Energy: 0.5735397950323194
Energy: 0.5620294935372341
Energy: 0.5735397950297034
Energy: 0.562029493532686
Energy: 0.5735397950342813
Energy: 0.5454685286904298
Energy: 0.5385638484234566
Energy: 0.545468528685198
Energy: 0.5385638484228026
Energy: 0.5454685286897759
Energy: 0.5385638484214946
Energy: 0.5487393018304642
Energy: 0.5726379477681628
Energy: 0.5487396666961323
Energy: 0.5726379477681628
Energy: 0.5487393018304642
Energy: 0.5726379477662009
Energy: 0.5705305548600097
Energy: 0.5209333080643064
Energy: 0.5705305548658955
Energy: 0.5209333080656144
Energy: 0.5705305548619717
Energy: 0.5209333080613635
Energy: 0.5296090599775858
Energy: 0.5879862768559477
Energy: 0.5296090599775858
Energy: 0.5879862768566017
Energy: 0.5296090599772587
Energy: 0.5879862768559477

minimum gb energy = 0.5207104909674767 eV
minimum distance =  2.55317779273571 Angstroms
sigma value = 67


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

Energy: 0.5758022936607705
Energy: 0.5354538446564793
Energy: 0.5758022936612174
Energy: 0.5354538446562558
Energy: 0.575802293660994
Energy: 0.5354538446553865
Energy: 0.5298088155877727
Energy: 0.4919589785091646
Energy: 0.529808815587574
Energy: 0.4919589785093881
Energy: 0.5298088155877727
Energy: 0.4919589785091646
Energy: 0.4923861796601411
Energy: 0.6710870514751324
Energy: 0.4923861796612337
Energy: 0.6710870514749089
Energy: 0.49238617965991754
Energy: 0.6710870514755545
Energy: 0.5297145121858975
Energy: 0.49196169440678794
Energy: 0.5297145121854505
Energy: 0.4919616944063658
Energy: 0.5297145121843579
Energy: 0.49196169440723503
Energy: 0.5758022936620867
Energy: 0.5354538446545174
Energy: 0.5758022936618631
Energy: 0.5354538446549396
Energy: 0.5758022936627323
Energy: 0.5354538446542939
Energy: 0.5298088155860343
Energy: 0.4919589785107043
Energy: 0.5298088155862578
Energy: 0.4919589785113499
Energy: 0.5298088155860343
Energy: 0.49195897851092774
Energy: 0.4923861796616807
Energy: 0.6710870514755545
Energy: 0.4923861796601411
Energy: 0.6710870514749089
Energy: 0.4923861796605881
Energy: 0.6710870514751324

minimum gb energy = 0.4919589785091646 eV
minimum distance =  2.56654443460469 Angstroms
sigma value = 3


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

Energy: 0.7995010053570647
Energy: 0.6187782674259988
Energy: 0.7995010053570647
Energy: 0.6187782674257285
Energy: 0.7995010053570647
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Energy: 0.6367428405945612
Energy: 0.5826313983951379
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Energy: 0.6367428405939664
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Energy: 0.6710028564867802
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Energy: 0.6925918895243248
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Energy: 0.6167265278512515
Energy: 0.6624937424693063
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Energy: 0.6167265278518462
Energy: 0.6439323760058128
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Energy: 0.6439323760031633
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Energy: 0.6464919676414816
Energy: 0.6029430606614372
Energy: 0.6382046785986941
Energy: 0.6029430606626268
Energy: 0.6382046785995591
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Energy: 0.6383778362670071
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Energy: 0.6587760488974178
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Energy: 0.6587760488997969
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Energy: 0.6897518051586701
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Energy: 0.6518512022979214
Energy: 0.6242795055331134
Energy: 0.6518512022973266
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Energy: 0.6704475757232304
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Energy: 0.6258068848580836
Energy: 0.6704475757256095
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Energy: 0.5959151594081008
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Energy: 0.6580339567218719
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Energy: 0.6775614487210976
Energy: 0.6399407663827584
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Energy: 0.5886157564006476
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Energy: 0.6174880354667956
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Energy: 0.5824821167490795
Energy: 0.650893787502967
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Energy: 0.6396329831635474
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Energy: 0.594958554066305
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Energy: 0.5949585540657103
Energy: 0.6519244311013557
Energy: 0.5949585540648452
Energy: 0.6519244311016801
Energy: 0.6649238236325973
Energy: 0.6495399402213291
Energy: 0.6649238236314078
Energy: 0.6495399402210047
Energy: 0.6649238236329217
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Energy: 0.6221511368935423
Energy: 0.5800927858642057
Energy: 0.622151136893272
Energy: 0.5800927858632864
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Energy: 0.580092785863016
Energy: 0.6314329562924241
Energy: 0.5838638925316062
Energy: 0.6314329562918294
Energy: 0.5838638925307411
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Energy: 0.5838638925304167
Energy: 0.6588147346977565
Energy: 0.603948497821068
Energy: 0.6588147347010279
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Energy: 0.6588147346983513
Energy: 0.6039484978213924
Energy: 0.711344205712259
Energy: 0.6025380033349699
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Energy: 0.6025380033319959
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Energy: 0.6229282456120195
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Energy: 0.6587833339837679
Energy: 0.6519349736108498
Energy: 0.6587833339843626
Energy: 0.6519349736108498
Energy: 0.6587833339846602
Energy: 0.6519349736114448
Energy: 0.6251024440200115
Energy: 0.6498837810149308
Energy: 0.6251024440179027
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Energy: 0.6389670833709076
Energy: 0.6250772760272156
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Energy: 0.6250772760287295
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Energy: 0.5833884687434056
Energy: 0.6923442756580049
Energy: 0.5833884687401615
Energy: 0.6923442756583295
Energy: 0.5833884687413509
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Energy: 0.6596413567998531
Energy: 0.6183614095024448
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Energy: 0.6989060421864589
Energy: 0.5873015769846702
Energy: 0.6989060421867292
Energy: 0.5873015769849406
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Energy: 0.6823992973325167
Energy: 0.6390387775937624
Energy: 0.6823992973354904
Energy: 0.6390387775922484
Energy: 0.6823992973372749
Energy: 0.6390387775886797
Energy: 0.5965275423706671
Energy: 0.7115034644766645
Energy: 0.5965275423712618
Energy: 0.71150346447634
Energy: 0.5965275423692071
Energy: 0.7115034644769348
Energy: 0.7566174311755457
Energy: 0.5809899615284905
Energy: 0.7566174311764379
Energy: 0.5809899615281661
Energy: 0.7566174311746536
Energy: 0.5809899615281661
Energy: 0.6233536137956037
Energy: 0.6386983872796733
Energy: 0.6233536137973881
Energy: 0.6386983872838368
Energy: 0.6233536137961985
Energy: 0.6386983872823228
Energy: 0.6873700874251182
Energy: 0.5841631638482127
Energy: 0.6873700874251182
Energy: 0.5841631638491318
Energy: 0.6873700874236042
Energy: 0.5841631638482127
Energy: 0.6592398588668306
Energy: 0.6241499073139138
Energy: 0.659239858860288
Energy: 0.6241499073136435
Energy: 0.659239858867128
Energy: 0.624149907313319
Energy: 0.698639894820125
Energy: 0.6208098972857754
Energy: 0.6986398948198547
Energy: 0.6208098972845859
Energy: 0.6986398948189355
Energy: 0.6208098972878843
Energy: 0.6501730292672849
Energy: 0.6385687520862213
Energy: 0.6501730292672849
Energy: 0.6385687520612404
Energy: 0.6501730292681501
Energy: 0.6385687520630248
Energy: 0.6473130543112585
Energy: 0.6228675456134198
Energy: 0.6473130543112585
Energy: 0.6228675456128251
Energy: 0.6473130543097986
Energy: 0.6228675456146093
Energy: 0.5965585760679673
Energy: 0.6467839016605237
Energy: 0.596558576067048
Energy: 0.6467839016605237
Energy: 0.596558576068562
Energy: 0.646783901661443
Energy: 0.6497922949712609
Energy: 0.6382586221928681
Energy: 0.6497922949703958
Energy: 0.6382586221937332
Energy: 0.6497922949703958
Energy: 0.6382586221943279
Energy: 0.6250019130952352
Energy: 0.638590437112403
Energy: 0.6250019130961004
Energy: 0.6385904371109432
Energy: 0.6250019130940456
Energy: 0.6385904371118082

minimum gb energy = 0.580092785863016 eV
minimum distance =  2.54336998525251 Angstroms
sigma value = 81


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

Energy: 0.6980634050229085
Energy: 0.6412700106583142
Energy: 0.6980634050225003
Energy: 0.6412700106587224
Energy: 0.6980634050229085
Energy: 0.6412700106583142
Energy: 0.6219028998470858
Energy: 0.596431477514744
Energy: 0.6219028998474939
Energy: 0.596431477514744
Energy: 0.6219028998470858
Energy: 0.596431477514744
Energy: 0.7192170266711491
Energy: 0.5735697592434499
Energy: 0.7192170266707409
Energy: 0.5735697592430418
Energy: 0.7192170266703327
Energy: 0.5735697592430418
Energy: 0.6155738180286919
Energy: 0.6386004805886633
Energy: 0.6155738180291
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Energy: 0.6155738180295083
Energy: 0.6386004805886633
Energy: 0.6205082298890827
Energy: 0.5854007734044457
Energy: 0.6205082298894908
Energy: 0.5854007734040376
Energy: 0.6205082298890827
Energy: 0.5854007734044457
Energy: 0.5965011423904802
Energy: 0.5740620807296153
Energy: 0.5965011423912966
Energy: 0.5740620807300234
Energy: 0.5965011423904802
Energy: 0.5740620807292071
Energy: 0.5822505852918715
Energy: 0.5740362552373022
Energy: 0.5822505852922796
Energy: 0.5740362552381185
Energy: 0.5822505852922796
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Energy: 0.5967794497239366
Energy: 0.5939500068799831
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Energy: 0.5939500068803912
Energy: 0.5967794497235285
Energy: 0.5939500068812076
Energy: 0.7025028844090662
Energy: 0.6568714077120483
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Energy: 0.6568714077124566
Energy: 0.7025028844098825
Energy: 0.6568714077132729
Energy: 0.6487417936698884
Energy: 0.6620866016553865
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Energy: 0.6620866016553865
Energy: 0.6487417936694803
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Energy: 0.6234501292137324
Energy: 0.6102539307033829
Energy: 0.6234501292133243
Energy: 0.6102539307029747
Energy: 0.6234501292137324
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Energy: 0.5742276900980455
Energy: 0.5958013683361421
Energy: 0.5742276900980455
Energy: 0.5958013683361421
Energy: 0.5742276901000863
Energy: 0.5958013683361421
Energy: 0.5957556563563617
Energy: 0.6221538298444149
Energy: 0.5957556563563617
Energy: 0.6221538298440068
Energy: 0.5957556563563617
Energy: 0.6221538298435987
Energy: 0.6717596993502137
Energy: 0.5735722812785644
Energy: 0.6717596993498055
Energy: 0.57357228127734
Energy: 0.6717596993493974
Energy: 0.5735722812781563
Energy: 0.5733080164690724
Energy: 0.5726153881506504
Energy: 0.5733080164686642
Energy: 0.5726153881506504
Energy: 0.5733080164690724
Energy: 0.5726153881506504
Energy: 0.5965871362948829
Energy: 0.5780812365539205
Energy: 0.5965871362952911
Energy: 0.5780812365535123
Energy: 0.5965871362948829
Energy: 0.5780812365543286
Energy: 0.6788575764685725
Energy: 0.5745737331152877
Energy: 0.6788575764685725
Energy: 0.5745737331152877
Energy: 0.6788575764689806
Energy: 0.5745737331148796
Energy: 0.6038535018820407
Energy: 0.669444158446442
Energy: 0.6038535018824489
Energy: 0.669444158446442
Energy: 0.6038535018816326
Energy: 0.669444158446442
Energy: 0.5767102955892569
Energy: 0.6489563748166823
Energy: 0.5767102955888488
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Energy: 0.5767102955888488
Energy: 0.648956374815866
Energy: 0.6391211145130782
Energy: 0.7167314044529676
Energy: 0.6391211145130782
Energy: 0.7167314044529676
Energy: 0.63912111451267
Energy: 0.7167314044525595
Energy: 0.5863024305438498
Energy: 0.6220787272861968
Energy: 0.5863024305446661
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Energy: 0.6247560547136156
Energy: 0.6105884770176492
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Energy: 0.6105884770180573
Energy: 0.6190955666352099
Energy: 0.5687378569353031
Energy: 0.6190955666339854
Energy: 0.568737856934895
Energy: 0.6190955666348017
Energy: 0.5687378569357113
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Energy: 0.6212853902942636
Energy: 0.6006234177204011
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Energy: 0.656912372120956
Energy: 0.7013000265869551
Energy: 0.6569123721025886
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Energy: 0.6569123721038129
Energy: 0.7013000265873633
Energy: 0.5765983236152273
Energy: 0.7863955716683125
Energy: 0.5765983236152273
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Energy: 0.5765983236156355
Energy: 0.7863955716683125
Energy: 0.5947122647847763
Energy: 0.61749354364473
Energy: 0.5947122647847763
Energy: 0.6174935436443217
Energy: 0.5947122647843682
Energy: 0.6174935436459544
Energy: 0.5944567602136543
Energy: 0.5745355522218029
Energy: 0.5944567602124299
Energy: 0.5745355522205784
Energy: 0.5944567602136543
Energy: 0.5745355522213947
Energy: 0.5963040278188769
Energy: 0.6203431765531425
Energy: 0.5963040278188769
Energy: 0.6203431765527344
Energy: 0.596304027819285
Energy: 0.6203431765531425
Energy: 0.5735354899616818
Energy: 0.5720795217558776
Energy: 0.5735354899616818
Energy: 0.5720795217562857
Energy: 0.5735354899616818
Energy: 0.5720795217554694
Energy: 0.6380330957377154
Energy: 0.5745329478468035
Energy: 0.6380330957377154
Energy: 0.5745329478468035
Energy: 0.6380330957377154
Energy: 0.5745329478476199
Energy: 0.5754577130876234
Energy: 0.6213631259953181
Energy: 0.5754577130876234
Energy: 0.62136312599491
Energy: 0.5754577130868072
Energy: 0.62136312599491
Energy: 0.5741251756545628
Energy: 0.612043506214329
Energy: 0.5741251756553791
Energy: 0.612043506214329
Energy: 0.5741251756553791
Energy: 0.6120435062131044
Energy: 0.5765800956107687
Energy: 0.5824694539270799
Energy: 0.5765800956095443
Energy: 0.5824694539266718
Energy: 0.5765800956091361
Energy: 0.5824694539270799
Energy: 0.6181503807493848
Energy: 0.7863351270744059
Energy: 0.6181503807518337
Energy: 0.786335127074814
Energy: 0.6181503807514256
Energy: 0.7863351270739977
Energy: 0.716187153208245
Energy: 0.638757488123683
Energy: 0.7161871532102858
Energy: 0.6387574881240913
Energy: 0.7161871532102858
Energy: 0.6387574881240913
Energy: 0.5954379931627937
Energy: 0.5875137393114562
Energy: 0.59543799316361
Energy: 0.5875137393114562
Energy: 0.5954379931632019
Energy: 0.5875137393118643
Energy: 0.6097488826808268
Energy: 0.5740319507313707
Energy: 0.6097488826812351
Energy: 0.5740319507317788
Energy: 0.6097488826812351
Energy: 0.5740319507313707

minimum gb energy = 0.568737856934895 eV
minimum distance =  2.60972764761299 Angstroms
sigma value = 43


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

Energy: 0.7587448143361137
Energy: 0.6109640102905356
Energy: 0.7587448143361137
Energy: 0.6109640102905356
Energy: 0.7587448143356125
Energy: 0.6109640102905356
Energy: 0.6572476730036757
Energy: 0.5892880929170281
Energy: 0.6572476730036757
Energy: 0.5892880929180307
Energy: 0.6572476730036757
Energy: 0.5892880929175294
Energy: 0.7039866145576967
Energy: 0.7243481153486326
Energy: 0.7039866145571955
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Energy: 0.7039866145571955
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Energy: 0.5874442020349556
Energy: 0.6098517701584486
Energy: 0.587444202035457
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Energy: 0.6098517701584486
Energy: 0.645842078126618
Energy: 0.6401913253315529
Energy: 0.645842078126618
Energy: 0.6401913253310515
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Energy: 0.6401913253315529
Energy: 0.6118650707902387
Energy: 0.6358956844787755
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Energy: 0.6358956844787755
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Energy: 0.687616524292938
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Energy: 0.687616524292938
Energy: 0.6106846325078753
Energy: 0.6427302445559061
Energy: 0.6106846325083767
Energy: 0.6427302445564075
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Energy: 0.7002782865238839
Energy: 0.5754875667456317
Energy: 0.7002782865243853
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Energy: 0.7002782865243853
Energy: 0.5754875667456317
Energy: 0.6119066081230791
Energy: 0.6351127509361209
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Energy: 0.635112750937625
Energy: 0.6119066081225777
Energy: 0.6351127509341155
Energy: 0.6137817087985169
Energy: 0.6013051045977867
Energy: 0.6137817088000209
Energy: 0.6013051050768806
Energy: 0.6137817088010237
Energy: 0.6013051046193452
Energy: 0.6106934350433224
Energy: 0.6323054408655467
Energy: 0.6106934350433224
Energy: 0.6323054408650454
Energy: 0.6106934350438238
Energy: 0.6323054408650454
Energy: 0.6794525716041291
Energy: 0.6365998163303634
Energy: 0.6794525716041291
Energy: 0.6365998163298621
Energy: 0.6794525716036276
Energy: 0.6365998163303634
Energy: 0.5778834701417471
Energy: 0.6347062452510063
Energy: 0.5778834701412457
Energy: 0.634706245252009
Energy: 0.5778834701417471
Energy: 0.6347062452515075
Energy: 0.6140212286211447
Energy: 0.6407702644515777
Energy: 0.6140212286211447
Energy: 0.6407702644510763
Energy: 0.6140212286216461
Energy: 0.6407702644520792
Energy: 0.62086919002008
Energy: 0.6599205718579547
Energy: 0.62086919002008
Energy: 0.6599205718579547
Energy: 0.62086919002008
Energy: 0.6599205718579547
Energy: 0.6862110950966521
Energy: 0.5893809646567638
Energy: 0.6862110950961509
Energy: 0.5893809646567638
Energy: 0.6862110950966521
Energy: 0.5893809646562623
Energy: 0.6952567589887663
Energy: 0.6234821616765355
Energy: 0.6952567589887663
Energy: 0.6234821616770369
Energy: 0.6952567589892676
Energy: 0.6234821616765355
Energy: 0.6956887994317147
Energy: 0.6019875181898512
Energy: 0.6956887994312133
Energy: 0.6019875181898512
Energy: 0.6956887994312133
Energy: 0.6019875181893499
Energy: 0.6852662469257079
Energy: 0.5905945927268647
Energy: 0.6852662469262093
Energy: 0.5905945927263633
Energy: 0.6852662469262093
Energy: 0.5905945927268647
Energy: 0.6208116721389301
Energy: 0.6011689608647208
Energy: 0.6208116721389301
Energy: 0.6011689608647208
Energy: 0.6208116721389301
Energy: 0.6011689608642196
Energy: 0.6960266459382308
Energy: 0.6583519534049661
Energy: 0.6960266459387322
Energy: 0.6583519534049661
Energy: 0.6960266459392335
Energy: 0.6583519534049661
Energy: 0.5780063484514573
Energy: 0.6717330612793789
Energy: 0.5780063484514573
Energy: 0.6717330612793789
Energy: 0.5780063484519586
Energy: 0.6717330612793789
Energy: 0.6809558671619853
Energy: 0.6362810242492665
Energy: 0.6809558671619853
Energy: 0.6362810242497677
Energy: 0.6809558671614839
Energy: 0.6362810242502691
Energy: 0.6106588558516062
Energy: 0.6089729942603994
Energy: 0.6106588558516062
Energy: 0.6089729942603994
Energy: 0.6106588558516062
Energy: 0.6089729942603994
Energy: 0.695975942344172
Energy: 0.642924567600256
Energy: 0.6959759423446734
Energy: 0.6429245676012586
Energy: 0.695975942344172
Energy: 0.642924567600256
Energy: 0.6393639450057833
Energy: 0.5890932272003341
Energy: 0.6393639450057833
Energy: 0.5890932272003341
Energy: 0.6393639450057833
Energy: 0.5890932272008356
Energy: 0.6997077844005302
Energy: 0.6349416781217254
Energy: 0.6997077844005302
Energy: 0.6349416781222268
Energy: 0.6997077844010317
Energy: 0.6349416781222268
Energy: 0.610778071295723
Energy: 0.6806752820341724
Energy: 0.6107780712962244
Energy: 0.6806752820341724
Energy: 0.6107780712962244
Energy: 0.6806752820341724
Energy: 0.650401928329792
Energy: 0.6593867476477139
Energy: 0.6504019283302935
Energy: 0.6593867476472124
Energy: 0.650401928329792
Energy: 0.6593867476467111
Energy: 0.6120471102377519
Energy: 0.6360374077785421
Energy: 0.6120471102382532
Energy: 0.6360374077785421
Energy: 0.6120471102372506
Energy: 0.6360374077790434

minimum gb energy = 0.5754875667456317 eV
minimum distance =  2.56925546367886 Angstroms
sigma value = 57


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

Energy: 0.6617354047841923
Energy: 0.5793911476161244
Energy: 0.6617354047835431
Energy: 0.5793911476161244
Energy: 0.6617354047841923
Energy: 0.5793911476167735
Energy: 0.6223671454925135
Energy: 0.5480339913374652
Energy: 0.6223671454912152
Energy: 0.5480339913368161
Energy: 0.6223671454925135
Energy: 0.5480339913387636
Energy: 0.6202247920514196
Energy: 0.7068094267273195
Energy: 0.6202247920514196
Energy: 0.7068094267318635
Energy: 0.6202247920514196
Energy: 0.7068094267279686
Energy: 0.6056430734660493
Energy: 0.6375393747484484
Energy: 0.6056430734628035
Energy: 0.6375393747490975
Energy: 0.6056430734641018
Energy: 0.6375393747484484
Energy: 0.6479403474146078
Energy: 0.6368440144050809
Energy: 0.6479403474146078
Energy: 0.6368440144050809
Energy: 0.6479403474146078
Energy: 0.6368440144050809
Energy: 0.6218503004127283
Energy: 0.6020951952797986
Energy: 0.6218503004120791
Energy: 0.6020951952791495
Energy: 0.6218503004133774
Energy: 0.6020951952785003
Energy: 0.6575842669472727
Energy: 0.6842565521705171
Energy: 0.6575842669479218
Energy: 0.6842565521698679
Energy: 0.6575842669466236
Energy: 0.6842565521705171
Energy: 0.6059621366598511
Energy: 0.5822485649887614
Energy: 0.6059621366598511
Energy: 0.5822485649874631
Energy: 0.6059621366605003
Energy: 0.5822485649894106
Energy: 0.6325402854468439
Energy: 0.5483195358079123
Energy: 0.6325402854461948
Energy: 0.5483195358072631
Energy: 0.6325402854474931
Energy: 0.5483195358079123
Energy: 0.5500922127034884
Energy: 0.6208810690601572
Energy: 0.5500922127041376
Energy: 0.6208810690601572
Energy: 0.5500922127034884
Energy: 0.6208810690601572
Energy: 0.6572090870598934
Energy: 0.6380032799442488
Energy: 0.6572090870598934
Energy: 0.6380032799435996
Energy: 0.6572090870598934
Energy: 0.6380032799435996
Energy: 0.6370461930209388
Energy: 0.6804898477910516
Energy: 0.6370461930190208
Energy: 0.6804898477904024
Energy: 0.6370461930190208
Energy: 0.6804898477904024
Energy: 0.6441741979392607
Energy: 0.5483520379708373
Energy: 0.6441741979399098
Energy: 0.5483520379714865
Energy: 0.6441741979392607
Energy: 0.5483520379714865
Energy: 0.6272413793563152
Energy: 0.553339161003914
Energy: 0.6272413793595609
Energy: 0.5533391610045632
Energy: 0.627241379355666
Energy: 0.5533391610045632
Energy: 0.6264958960697082
Energy: 0.5515108125863806
Energy: 0.6264958960697082
Energy: 0.5515108125857314
Energy: 0.6264958960697082
Energy: 0.5515108125863806
Energy: 0.6323094958826814
Energy: 0.6066212922040021
Energy: 0.6323094958826814
Energy: 0.6066212922040021
Energy: 0.6323094958826814
Energy: 0.6066212922040021
Energy: 0.5452890622110348
Energy: 0.6224319132080757
Energy: 0.5452890622110348
Energy: 0.6224319132080757
Energy: 0.5452890622110348
Energy: 0.6224319132080757
Energy: 0.6535886772353158
Energy: 0.5454033275387725
Energy: 0.6535886772353158
Energy: 0.6286767205130527
Energy: 0.653588677236614
Energy: 0.619272354507704
Energy: 0.5453018328108314
Energy: 0.622244813497444
Energy: 0.5453018328114807
Energy: 0.622244813497444
Energy: 0.545301832812779
Energy: 0.622244813497444
Energy: 0.6322223859343388
Energy: 0.6066116174749523
Energy: 0.6322223859343388
Energy: 0.6066116174756014
Energy: 0.6322223859343388
Energy: 0.6066116174749523
Energy: 0.6265305670511088
Energy: 0.5515326857565821
Energy: 0.6265305670491613
Energy: 0.5515326857565821
Energy: 0.6265305670472139
Energy: 0.5515326857565821
Energy: 0.6270386997784462
Energy: 0.6582401995612125
Energy: 0.6270386997829903
Energy: 0.6582401995605633
Energy: 0.627038699773253
Energy: 0.6582401995618616
Energy: 0.6441475879002881
Energy: 0.5483984762205912
Energy: 0.644147587899639
Energy: 0.5483984762199421
Energy: 0.644147587899639
Energy: 0.5483984762199421
Energy: 0.6372098299481753
Energy: 0.6804332884579609
Energy: 0.6372098299468769
Energy: 0.6804332884573118
Energy: 0.6372098299468769
Energy: 0.6804332884573118

minimum gb energy = 0.5452890622110348 eV
minimum distance =  2.57260158458605 Angstroms
sigma value = 17


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

Energy: 0.6571571220598527
Energy: 0.580424344769508
Energy: 0.6571571220598527
Energy: 0.580424344769508
Energy: 0.6571571220598527
Energy: 0.580424344769508
Energy: 0.5609131996181945
Energy: 0.5519366368007859
Energy: 0.5609131996191126
Energy: 0.5519366368007859
Energy: 0.5609131996181945
Energy: 0.5519366368007859
Energy: 0.6275673374397271
Energy: 0.6511212727831429
Energy: 0.6275673374388092
Energy: 0.6511212727831429
Energy: 0.6275673374397271
Energy: 0.651121272784061
Energy: 0.5261620828465733
Energy: 0.6300553467170718
Energy: 0.5261620828474912
Energy: 0.6300553467161538
Energy: 0.5261620828465733
Energy: 0.6300553467179898
Energy: 0.6500923001637
Energy: 0.6138259319600274
Energy: 0.6500923001637
Energy: 0.6138259319609246
Energy: 0.6500923001627821
Energy: 0.6138259319609246
Energy: 0.592774467152857
Energy: 0.6469861139061328
Energy: 0.592774467152857
Energy: 0.6469861139061328
Energy: 0.592774467153775
Energy: 0.6469861139061328
Energy: 0.6266415180295665
Energy: 0.562007860335081
Energy: 0.6266415180286483
Energy: 0.562007860335081
Energy: 0.6266415180295665
Energy: 0.562007860335081
Energy: 0.5260371541605965
Energy: 0.6568258946050678
Energy: 0.5260371541615145
Energy: 0.6568258946023138
Energy: 0.5260371541605965
Energy: 0.6568258946032317
Energy: 0.6104812224774279
Energy: 0.5515717511613637
Energy: 0.6104812224774279
Energy: 0.5515717511604457
Energy: 0.6104812224765098
Energy: 0.5515717511604457
Energy: 0.597240467962524
Energy: 0.5623478370756604
Energy: 0.597240467963442
Energy: 0.5623478370747425
Energy: 0.597240467963442
Energy: 0.5623478370756604
Energy: 0.587710628319844
Energy: 0.6614570446979173
Energy: 0.587710628319844
Energy: 0.6614570446979173
Energy: 0.5877106283189261
Energy: 0.6614570446979173
Energy: 0.6403479866184294
Energy: 0.5517030797102472
Energy: 0.6403479866138392
Energy: 0.5517030797102472
Energy: 0.6403479866175114
Energy: 0.5517030797102472
Energy: 0.5254731306435871
Energy: 0.647929573444703
Energy: 0.5254731306426692
Energy: 0.647929573444703
Energy: 0.5254731306426692
Energy: 0.647929573444703
Energy: 0.5971205730545845
Energy: 0.6264738259088922
Energy: 0.5971205730555026
Energy: 0.6264738259088922
Energy: 0.5971205730555026
Energy: 0.6264738259088922
Energy: 0.5925507803806529
Energy: 0.7557003565877045
Energy: 0.5925507803806529
Energy: 0.7557003565886226
Energy: 0.5925507803806529
Energy: 0.7557003565877045
Energy: 0.5925932041725838
Energy: 0.646302419260524
Energy: 0.5925932041725838
Energy: 0.646302419260524
Energy: 0.5925932041725838
Energy: 0.646302419261442
Energy: 0.5959163244562915
Energy: 0.6270904615692112
Energy: 0.5959163244562915
Energy: 0.6270904615701294
Energy: 0.5959163244562915
Energy: 0.6270904615692112

minimum gb energy = 0.5254731306426692 eV
minimum distance =  2.54253741823561 Angstroms
sigma value = 17


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

Energy: 0.595708531907122
Energy: 0.5383532380331769
Energy: 0.595708531907831
Energy: 0.5383532380335315
Energy: 0.59570853190854
Energy: 0.538353238033886
Energy: 0.5475543729583452
Energy: 0.5183926920598179
Energy: 0.5475543729594088
Energy: 0.5183926920608813
Energy: 0.5475543729590542
Energy: 0.5183926920615904
Energy: 0.5931921359401341
Energy: 0.5637281701402027
Energy: 0.5931921359397794
Energy: 0.5637281701398482
Energy: 0.5931921359404885
Energy: 0.5637281701402027
Energy: 0.5007819997515416
Energy: 0.5715090261744348
Energy: 0.5007819997504779
Energy: 0.5715090261744348
Energy: 0.500781999751187
Energy: 0.5715090261747893
Energy: 0.6313933476871834
Energy: 0.5172189045320642
Energy: 0.6313933476893103
Energy: 0.5172189045327732
Energy: 0.6313933476889559
Energy: 0.5172189045320642
Energy: 0.5687375832596606
Energy: 0.5447957299644401
Energy: 0.5687375832582425
Energy: 0.5447957299647948
Energy: 0.5687375832600151
Energy: 0.5447957299644401
Energy: 0.5483291069988915
Energy: 0.5424116870445936
Energy: 0.5483291070024364
Energy: 0.5424116870449481
Energy: 0.5483291069985368
Energy: 0.5424116870445936
Energy: 0.5528703938499712
Energy: 0.688944088672298
Energy: 0.5528703938528072
Energy: 0.6889440886719433
Energy: 0.5528703938545476
Energy: 0.6889440886719433
Energy: 0.5637109474834349
Energy: 0.571736649648336
Energy: 0.5637109474834349
Energy: 0.5717366496430183
Energy: 0.563710947482726
Energy: 0.5717366496469178
Energy: 0.5475424379406373
Energy: 0.4933168305515166
Energy: 0.5475424379413464
Energy: 0.4933168305518711
Energy: 0.5475424379427644
Energy: 0.4933168305518711
Energy: 0.49975150425596
Energy: 0.677789299477428
Energy: 0.4997515042563145
Energy: 0.677789299477428
Energy: 0.4997515042587961
Energy: 0.6777892994784915
Energy: 0.5932196680982098
Energy: 0.5243865722435262
Energy: 0.5932196680982098
Energy: 0.5243865722428172
Energy: 0.5932196680985644
Energy: 0.5243865722406901
Energy: 0.5494663126840257
Energy: 0.5295004430682406
Energy: 0.5494663126847347
Energy: 0.5295004430678861
Energy: 0.5494663126847347
Energy: 0.5295004430678861
Energy: 0.5409041118021871
Energy: 0.6078466264910609
Energy: 0.5409041118025417
Energy: 0.6078466264907064
Energy: 0.5409041118025417
Energy: 0.6078466264910609
Energy: 0.5846014275107109
Energy: 0.5241714189545517
Energy: 0.5846014275107109
Energy: 0.524171418949943
Energy: 0.5846014275100018
Energy: 0.524171418950652
Energy: 0.49974537508882566
Energy: 0.6392406691798416
Energy: 0.49974537508988925
Energy: 0.6392406691794871
Energy: 0.4997453750881166
Energy: 0.6392406691798416
Energy: 0.5491983017362093
Energy: 0.5588074844524354
Energy: 0.5491983017351457
Energy: 0.5588074844524354
Energy: 0.5491983017362093
Energy: 0.5588074844524354
Energy: 0.5664226735100287
Energy: 0.6964230975104945
Energy: 0.5664226735121558
Energy: 0.6964230975101399
Energy: 0.5664226735096743
Energy: 0.6964230975101399
Energy: 0.5520619230270928
Energy: 0.6416171448679204
Energy: 0.5520619230267383
Energy: 0.6416171448718201
Energy: 0.5520619230267383
Energy: 0.6416171448665025
Energy: 0.5487629521741207
Energy: 0.5480505030107948
Energy: 0.5487629521737661
Energy: 0.5480505030107948
Energy: 0.5487629521744751
Energy: 0.5480505030104403
Energy: 0.5522000358122117
Energy: 0.6416152709320785
Energy: 0.5522000358118572
Energy: 0.6416152709313695
Energy: 0.5522000358122117
Energy: 0.6416152709313695
Energy: 0.5664533705850228
Energy: 0.6964189210544802
Energy: 0.5664533705871498
Energy: 0.6964189210544802
Energy: 0.5664533705899859
Energy: 0.6964189210544802
Energy: 0.5489716725157752
Energy: 0.5588970706048176
Energy: 0.5489716725164843
Energy: 0.5588970706051721
Energy: 0.5489716725150663
Energy: 0.5588970706048176
Energy: 0.49966163345442843
Energy: 0.6965981469340747
Energy: 0.499661633456201
Energy: 0.6965981469344292
Energy: 0.49966163345549197
Energy: 0.6965981469344292
Energy: 0.5844106367199452
Energy: 0.5243155463532126
Energy: 0.5844106367199452
Energy: 0.5243155463532126
Energy: 0.5844106367195907
Energy: 0.5243155463514401
Energy: 0.540966383819405
Energy: 0.6079977415684165
Energy: 0.540966383819405
Energy: 0.6079977415680621
Energy: 0.5409663838190505
Energy: 0.607997741567353
Energy: 0.5495491444247352
Energy: 0.5296233560142801
Energy: 0.5495491444243806
Energy: 0.5296233560142801
Energy: 0.5495491444254442
Energy: 0.5296233560139256
Energy: 0.5931829389990949
Energy: 0.5246115101887543
Energy: 0.5931829389998039
Energy: 0.5246115101891088
Energy: 0.5931829390005129
Energy: 0.5246115101887543
Energy: 0.49969802721118434
Energy: 0.6777920174646153
Energy: 0.49969802720941175
Energy: 0.6777920174646153
Energy: 0.4996980272101208
Energy: 0.6777920174649698
Energy: 0.5474040658194885
Energy: 0.599861561240357
Energy: 0.5474040658194885
Energy: 0.599861561240357
Energy: 0.547404065820552
Energy: 0.5998615612400027
Energy: 0.5637795621422491
Energy: 0.5715691440682226
Energy: 0.5637795621418945
Energy: 0.5715691440696408
Energy: 0.5637795621429581
Energy: 0.5715691440682226
Energy: 0.5529243091433919
Energy: 0.68896150547883
Energy: 0.5529243091440688
Energy: 0.6889615054816661
Energy: 0.5529243091447777
Energy: 0.6889615054738668
Energy: 0.5481676771085092
Energy: 0.547155146644242
Energy: 0.5481676771070912
Energy: 0.5471551466445967
Energy: 0.5481676771081547
Energy: 0.5471551466431785
Energy: 0.5687373437275671
Energy: 0.5269310012422647
Energy: 0.5687373437275671
Energy: 0.5269310012429738
Energy: 0.5687373437293397
Energy: 0.5269310012426193
Energy: 0.6312475185172791
Energy: 0.519702612730287
Energy: 0.6312475185183427
Energy: 0.5197026127320595
Energy: 0.6312475185179882
Energy: 0.5197026127317049
Energy: 0.5007932587989504
Energy: 0.5591383743109032
Energy: 0.500793258802141
Energy: 0.5591383743112576
Energy: 0.5007932588017864
Energy: 0.5591383743109032
Energy: 0.5933489322003743
Energy: 0.5636418032591453
Energy: 0.5933489322003743
Energy: 0.5636418032591453
Energy: 0.5933489322003743
Energy: 0.5636418032591453
Energy: 0.5472202609785163
Energy: 0.5207900293922437
Energy: 0.5472202609788707
Energy: 0.5207900293929528
Energy: 0.5472202609788707
Energy: 0.5207900293929528
Energy: 0.5957085319036092
Energy: 0.5383532380360131
Energy: 0.5957085319029001
Energy: 0.5383532380360131
Energy: 0.5957085319036092
Energy: 0.5383532380356586
Energy: 0.5475543729594088
Energy: 0.5173531254281354
Energy: 0.5475543729601178
Energy: 0.5173531254288445
Energy: 0.5475543729579907
Energy: 0.5173531254281354
Energy: 0.5931921359419065
Energy: 0.5637281701373988
Energy: 0.5931921359415521
Energy: 0.5637281701373988
Energy: 0.5931921359422612
Energy: 0.5637281701370442
Energy: 0.5007819997494144
Energy: 0.5715090261712442
Energy: 0.5007819997490599
Energy: 0.5715090261715987
Energy: 0.5007819997494144
Energy: 0.5715090261712442
Energy: 0.6313933476903739
Energy: 0.5172189045324186
Energy: 0.631393347691792
Energy: 0.5172189045338368
Energy: 0.6313933476903739
Energy: 0.5172189045313551

minimum gb energy = 0.4933168305515166 eV
minimum distance =  2.56001528989446 Angstroms
sigma value = 57


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

Energy: 0.5041976925869855
Energy: 0.4984150852826188
Energy: 0.5041976925875629
Energy: 0.4984150852820416
Energy: 0.504197692590449
Energy: 0.4984150852820416
Energy: 0.5767563442377537
Energy: 0.49031702820691897
Energy: 0.5767563442383309
Energy: 0.49031702820749623
Energy: 0.5767563442377537
Energy: 0.49031702820749623
Energy: 0.5805777947997116
Energy: 0.5256104158239037
Energy: 0.5805777947997116
Energy: 0.5256104158239037
Energy: 0.5805777947997116
Energy: 0.525610415824481
Energy: 0.5029905625228279
Energy: 0.5429513005334231
Energy: 0.5029905625245596
Energy: 0.5429513005340003
Energy: 0.5029905625234052
Energy: 0.5429513005334231
Energy: 0.5746531661682308
Energy: 0.4886051509336867
Energy: 0.5746531661682308
Energy: 0.48860515093426393
Energy: 0.5746531661676535
Energy: 0.48860515093426393
Energy: 0.5380324284693585
Energy: 0.4901652380616726
Energy: 0.5380324284693585
Energy: 0.4901652380622499
Energy: 0.538032428470513
Energy: 0.49016523806109535
Energy: 0.4741005260069436
Energy: 0.5235501909171594
Energy: 0.47410052600982977
Energy: 0.5235501909154276
Energy: 0.47410052600925257
Energy: 0.5235501909154276
Energy: 0.6364062368053564
Energy: 0.6304272997615664
Energy: 0.6364062368042019
Energy: 0.6304272997615664
Energy: 0.6364062368042019
Energy: 0.6304272997615664
Energy: 0.4998187890252987
Energy: 0.49121765640192494
Energy: 0.49981878902587595
Energy: 0.49121765640250215
Energy: 0.49981878902587595
Energy: 0.49121765640192494
Energy: 0.5065794153554013
Energy: 0.5073461647570641
Energy: 0.5065794153548241
Energy: 0.5073461647570641
Energy: 0.5065794153542469
Energy: 0.5073461647576413
Energy: 0.6333877078034374
Energy: 0.6322750403575588
Energy: 0.6333877078022829
Energy: 0.6322750403575588
Energy: 0.6333877078028602
Energy: 0.6322750403575588
Energy: 0.5167930784343556
Energy: 0.4719932512740016
Energy: 0.5167930784349328
Energy: 0.4719932512751561
Energy: 0.5167930784337784
Energy: 0.4719932512716927
Energy: 0.5011356661599877
Energy: 0.5730815447687564
Energy: 0.5011356661478659
Energy: 0.5730815447687564
Energy: 0.5011356661571016
Energy: 0.5730815447687564
Energy: 0.47302103445684307
Energy: 0.592129212762456
Energy: 0.4730210344556886
Energy: 0.5921292127630333
Energy: 0.4730210344574203
Energy: 0.592129212762456
Energy: 0.5528893920461101
Energy: 0.4944020467028064
Energy: 0.5528893920466873
Energy: 0.4944020467056925
Energy: 0.5528893920461101
Energy: 0.4944020467033836
Energy: 0.5009740946642838
Energy: 0.5689407437241919
Energy: 0.5009740946642838
Energy: 0.5689407437247691
Energy: 0.5009740946642838
Energy: 0.5689407437241919
Energy: 0.5115279487839756
Energy: 0.5788367983230862
Energy: 0.5115279487833984
Energy: 0.5788367983230862
Energy: 0.5115279487851301
Energy: 0.5788367983230862
Energy: 0.6124073186023412
Energy: 0.4957648769222723
Energy: 0.6124073186023412
Energy: 0.4957648769228496
Energy: 0.6124073186023412
Energy: 0.49576487692111787
Energy: 0.48175402126354006
Energy: 0.6054419186725056
Energy: 0.4817540212646945
Energy: 0.6054419186725056
Energy: 0.4817540212646945
Energy: 0.6054419186719284
Energy: 0.49997707862822
Energy: 0.5368769226864303
Energy: 0.4999770786287972
Energy: 0.5368769226864303
Energy: 0.49997707862764273
Energy: 0.5368769226864303
Energy: 0.5271227141993923
Energy: 0.6467238779879808
Energy: 0.5271227141999696
Energy: 0.6467238779891352
Energy: 0.5271227142005468
Energy: 0.6467238779920215
Energy: 0.4685692895211372
Energy: 0.6079143229604764
Energy: 0.4685692895211372
Energy: 0.6079143229610536
Energy: 0.4685692895211372
Energy: 0.6079143229610536
Energy: 0.5106579863259311
Energy: 0.5169946350463254
Energy: 0.5106579863253539
Energy: 0.5169946350463254
Energy: 0.5106579863259311
Energy: 0.5169946350463254
Energy: 0.5228718094461555
Energy: 0.6081833925437231
Energy: 0.5228718094461555
Energy: 0.6081833925431459
Energy: 0.5228718094455782
Energy: 0.6081833925431459
Energy: 0.5172779207773598
Energy: 0.6569321326921094
Energy: 0.5172779207767826
Energy: 0.6569321326921094
Energy: 0.5172779207750509
Energy: 0.6569321326926866
Energy: 0.5008295986083926
Energy: 0.5166489028120228
Energy: 0.5008295986078153
Energy: 0.5166489028120228
Energy: 0.5008295986083926
Energy: 0.5166489028120228
Energy: 0.4768236512925157
Energy: 0.6052918446404457
Energy: 0.476823651293093
Energy: 0.6052918446398684
Energy: 0.4768236512919385
Energy: 0.6052918446392912

minimum gb energy = 0.4685692895211372 eV
minimum distance =  2.51310649523078 Angstroms
sigma value = 43


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

Energy: 0.46723289409129753
Energy: 0.4513570276627072
Energy: 0.46723289409171814
Energy: 0.4513570276627072
Energy: 0.46723289409213864
Energy: 0.45135702766228664
Energy: 0.49902678171291664
Energy: 0.4531059280841503
Energy: 0.49902678171249604
Energy: 0.4531059280837297
Energy: 0.49902678171291664
Energy: 0.4531059280837297
Energy: 0.5078721655596719
Energy: 0.49399392719440466
Energy: 0.5078721655596719
Energy: 0.49399392719440466
Energy: 0.5078721655596719
Energy: 0.49399392719482527
Energy: 0.4503141812476053
Energy: 0.47300213414002146
Energy: 0.4503141812476053
Energy: 0.47300213414002146
Energy: 0.45031418124844647
Energy: 0.47300213414002146
Energy: 0.4965891574505656
Energy: 0.43455120522771673
Energy: 0.49658915745182736
Energy: 0.43455120522771673
Energy: 0.49658915745098614
Energy: 0.43455120522771673
Energy: 0.46707128663746744
Energy: 0.4405171347166092
Energy: 0.46707128663746744
Energy: 0.4405171347166092
Energy: 0.46707128663746744
Energy: 0.4405171347170298
Energy: 0.44629649443902325
Energy: 0.45602590850530467
Energy: 0.4462964944381821
Energy: 0.4560259085061458
Energy: 0.446296494432294
Energy: 0.45602590850530467
Energy: 0.4951626723559749
Energy: 0.43198671771843794
Energy: 0.49516267235345146
Energy: 0.43198671771801733
Energy: 0.49516267235765715
Energy: 0.431986717716335
Energy: 0.4465416151157304
Energy: 0.48271667094350035
Energy: 0.446541615116151
Energy: 0.48271667094350035
Energy: 0.4465416151157304
Energy: 0.48271667094307974
Energy: 0.4993323892282931
Energy: 0.436433765560389
Energy: 0.49933238922787254
Energy: 0.436433765560389
Energy: 0.49933238922871365
Energy: 0.436433765560389
Energy: 0.5443489288071873
Energy: 0.48439488286080096
Energy: 0.5443489288067668
Energy: 0.4843948828616421
Energy: 0.5443489288071873
Energy: 0.4843948828616421
Energy: 0.4273188952461367
Energy: 0.4297090202543645
Energy: 0.42731889524571615
Energy: 0.4297090202552057
Energy: 0.4273188952452956
Energy: 0.429709020253944
Energy: 0.4989322438603762
Energy: 0.4209467202024235
Energy: 0.4989322438603762
Energy: 0.4209467202024235
Energy: 0.4989322438599556
Energy: 0.4209467202028441
Energy: 0.5468291271694228
Energy: 0.534291905007106
Energy: 0.5468291271698434
Energy: 0.5342919050066854
Energy: 0.5468291271698434
Energy: 0.534291905007106
Energy: 0.4368335016350651
Energy: 0.42979992239970677
Energy: 0.4368335016346446
Energy: 0.4297999224001273
Energy: 0.4368335016354858
Energy: 0.42979992239970677
Energy: 0.4510996170518548
Energy: 0.4632930632102206
Energy: 0.45109961705143414
Energy: 0.4632930632102206
Energy: 0.4510996170531164
Energy: 0.4632930632102206
Energy: 0.4481481483483626
Energy: 0.5331179726153964
Energy: 0.4481481483483626
Energy: 0.533117972615817
Energy: 0.4481481483483626
Energy: 0.533117972615817
Energy: 0.44854626789685276
Energy: 0.4299484476639696
Energy: 0.4485462678960116
Energy: 0.42994844766312845
Energy: 0.44854626789643215
Energy: 0.42994844766439017
Energy: 0.48513787331337166
Energy: 0.5015814186917307
Energy: 0.4851378733125305
Energy: 0.5015814186917307
Energy: 0.48513787331295105
Energy: 0.50158141869131
Energy: 0.45130247957657665
Energy: 0.4858345485702549
Energy: 0.4513024795769973
Energy: 0.4858345485689931
Energy: 0.4513024795774178
Energy: 0.4858345485689931
Energy: 0.4856588840426667
Energy: 0.44186223186695284
Energy: 0.4856588840426667
Energy: 0.4418622318673735
Energy: 0.4856588840426667
Energy: 0.44186223186695284
Energy: 0.4510552650067894
Energy: 0.4947849773095886
Energy: 0.4510552650067894
Energy: 0.4947849773100092
Energy: 0.4510552650067894
Energy: 0.4947849773095886
Energy: 0.4632538747633141
Energy: 0.49700550095295093
Energy: 0.4632538747637346
Energy: 0.4970055009525303
Energy: 0.46325387476415525
Energy: 0.49700550095295093
Energy: 0.5257459293860002
Energy: 0.4398560116717463
Energy: 0.5257459293851591
Energy: 0.43985601167300803
Energy: 0.5257459293855797
Energy: 0.4398560116717463
Energy: 0.4181682684101626
Energy: 0.486265846509328
Energy: 0.4181682684076391
Energy: 0.4862658465097486
Energy: 0.4181682684114243
Energy: 0.486265846509328
Energy: 0.4315503290500463
Energy: 0.47257748547918266
Energy: 0.43155032905046686
Energy: 0.47257748547918266
Energy: 0.4315503290496257
Energy: 0.47257748547918266
Energy: 0.47240936310975284
Energy: 0.4297684228103989
Energy: 0.47240936310975284
Energy: 0.4297684228103989
Energy: 0.47240936310975284
Energy: 0.4297684228099783
Energy: 0.4202510103518993
Energy: 0.4858994281864426
Energy: 0.4202510103527405
Energy: 0.48589942818602194
Energy: 0.4202510103514788
Energy: 0.4858994281864426
Energy: 0.43101552252391573
Energy: 0.44456562764046637
Energy: 0.4310155225243362
Energy: 0.44456562764046637
Energy: 0.4310155225243362
Energy: 0.44456562764046637
Energy: 0.43427488697051875
Energy: 0.43129736757465376
Energy: 0.4342748869696777
Energy: 0.43129736757465376
Energy: 0.43427488697051875
Energy: 0.43129736757465376
Energy: 0.41578843015789274
Energy: 0.48438264656135444
Energy: 0.41578843015831335
Energy: 0.48438264656009267
Energy: 0.41578843015747213
Energy: 0.484382646561775
Energy: 0.4315804462460213
Energy: 0.4319986459267868
Energy: 0.43158044624560077
Energy: 0.4319986459267868
Energy: 0.4315804462451802
Energy: 0.4319986459267868
Energy: 0.42455608934293004
Energy: 0.48646305139992385
Energy: 0.42455608934250944
Energy: 0.4864630513995033
Energy: 0.4245560893441917
Energy: 0.4864630513995033
Energy: 0.543582133284995
Energy: 0.483757769639809
Energy: 0.543582133284995
Energy: 0.48375776964107076
Energy: 0.5435821332854157
Energy: 0.4837577696389679
Energy: 0.43261960142291056
Energy: 0.4225756910227005
Energy: 0.4326196014233311
Energy: 0.422575691011345
Energy: 0.43261960142291056
Energy: 0.4225756910121861
Energy: 0.3923965333975019
Energy: 0.4856405673024317
Energy: 0.39239653339792246
Energy: 0.4856405673024317
Energy: 0.3923965333975019
Energy: 0.48564056730281396

minimum gb energy = 0.3923965333975019 eV
minimum distance =  2.51116007276776 Angstroms
sigma value = 81


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

Energy: 0.03235325599895041
Energy: 0.06032007097707437
Energy: 0.03235325599895041
Energy: 0.060320070976758296
Energy: 0.03235325599910846
Energy: 0.060320070976758296
Energy: 0.3595451978830745
Energy: 0.03293826937857516
Energy: 0.359545197882934
Energy: 0.03293826937903172
Energy: 0.3595451978877104
Energy: 0.03293826937918977
Energy: 0.3595424601174335
Energy: 0.0341490902522637
Energy: 0.3595424601168189
Energy: 0.03414909025704006
Energy: 0.3595424601166609
Energy: 0.03414909025781271
Energy: 0.03235325599895041
Energy: 0.060320070977232416
Energy: 0.03235325599895041
Energy: 0.06032007097707437
Energy: 0.03235325599926649
Energy: 0.060320070976758296
Energy: 0.3595451978832325
Energy: 0.03293826937255204
Energy: 0.359545197882934
Energy: 0.03293826937193743
Energy: 0.3595451978877104
Energy: 0.03293826937332468
Energy: 0.3595424601166609
Energy: 0.03414909032222326
Energy: 0.3595424601168189
Energy: 0.03414909033056433
Energy: 0.35954246011650287
Energy: 0.03414909032901904
Energy: 0.03235325599910846
Energy: 0.060320070976916336
Energy: 0.03235325599895041
Energy: 0.060320070977232416
Energy: 0.03235325599926649
Energy: 0.060320070976916336
Energy: 0.3595451978830745
Energy: 0.03293826937425537
Energy: 0.359545197882934
Energy: 0.03293826937209547
Energy: 0.3595451978832325
Energy: 0.032938269371463304
Energy: 0.35954246011650287
Energy: 0.03414909039097118
Energy: 0.3595424601166609
Energy: 0.03414909039436029
Energy: 0.3595424601161868
Energy: 0.03414909039358764
Energy: 0.03235325599926649
Energy: 0.06032007097707437
Energy: 0.03235325599910846
Energy: 0.06032007097707437
Energy: 0.03235325599926649
Energy: 0.060320070977232416

minimum gb energy = 0.03235325599895041 eV
minimum distance =  2.70487365101434 Angstroms
sigma value = 3


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

Energy: 0.5154686440894788
Energy: 0.43099977341621615
Energy: 0.5154686440894788
Energy: 0.43099977341621615
Energy: 0.5154686440894788
Energy: 0.43099977341621615
Energy: 0.43752894362393097
Energy: 0.43981760914842916
Energy: 0.4375289436243934
Energy: 0.43981760914796664
Energy: 0.4375289436243934
Energy: 0.43981760914842916
Energy: 0.4523648807390749
Energy: 0.4639503944388589
Energy: 0.45236488073815
Energy: 0.4639503944383965
Energy: 0.4523648807390749
Energy: 0.4639503944388589
Energy: 0.46075783011377336
Energy: 0.44705190840899967
Energy: 0.4607578301142358
Energy: 0.44705190840899967
Energy: 0.46075783011377336
Energy: 0.447051908409462
Energy: 0.3749599424064403
Energy: 0.44068952373865017
Energy: 0.37495994240736524
Energy: 0.44068952373865017
Energy: 0.37495994240736524
Energy: 0.44068952373865017
Energy: 0.45310258564074707
Energy: 0.4610170341586138
Energy: 0.4531025856402846
Energy: 0.4610170341586138
Energy: 0.45310258564074707
Energy: 0.4610170341581513
Energy: 0.4616491790392746
Energy: 0.42844114022116053
Energy: 0.4616491790392746
Energy: 0.4284411402230102
Energy: 0.46164917903973707
Energy: 0.4284411402220853
Energy: 0.3731691636024547
Energy: 0.44135668385900817
Energy: 0.3731691636024547
Energy: 0.4413566838585457
Energy: 0.37316916360152985
Energy: 0.44135668385900817
Energy: 0.4592587974645769
Energy: 0.46561877610794344
Energy: 0.4592587974650393
Energy: 0.46561877610794344
Energy: 0.4592587974645769
Energy: 0.46561877610748104
Energy: 0.4251726832789545
Energy: 0.39751715619072514
Energy: 0.42517268328126656
Energy: 0.3975171561902627
Energy: 0.4251726832798793
Energy: 0.39751715619072514
Energy: 0.3965544388496997
Energy: 0.4400659485337991
Energy: 0.3965544388496997
Energy: 0.44006594853287423
Energy: 0.3965544388496997
Energy: 0.44006594853287423
Energy: 0.47300073669430104
Energy: 0.48075544749195687
Energy: 0.4730007366938386
Energy: 0.48075544749195687
Energy: 0.4730007366938386
Energy: 0.48075544749195687
Energy: 0.46263255134082576
Energy: 0.376866769950508
Energy: 0.46263255134082576
Energy: 0.37686676995004553
Energy: 0.46263255134036324
Energy: 0.376866769950508
Energy: 0.41030613142719874
Energy: 0.3830100431981022
Energy: 0.41030613142673633
Energy: 0.3830100431967149
Energy: 0.41030613142766126
Energy: 0.3830100431971773
Energy: 0.4585225541806038
Energy: 0.4649013976879593
Energy: 0.4585225541801414
Energy: 0.4649013976879593
Energy: 0.45852255417967885
Energy: 0.4649013976879593
Energy: 0.4634297561596921
Energy: 0.3714219092188078
Energy: 0.46342975615922977
Energy: 0.3714219092188078
Energy: 0.4634297561587673
Energy: 0.37142190921788304
Energy: 0.4364366400536069
Energy: 0.4829992362748782
Energy: 0.4364366400536069
Energy: 0.4829992362753406
Energy: 0.4364366400536069
Energy: 0.4829992362748782
Energy: 0.442894885727795
Energy: 0.4509208718420734
Energy: 0.4428948857273326
Energy: 0.4509208718425359
Energy: 0.442894885727795
Energy: 0.4509208718420734
Energy: 0.46276128335109074
Energy: 0.42878382685542876
Energy: 0.4627612833506283
Energy: 0.42878382685589117
Energy: 0.46276128335109074
Energy: 0.42878382685542876
Energy: 0.44281032483191074
Energy: 0.47170091209003234
Energy: 0.4428103248323731
Energy: 0.47170091209049486
Energy: 0.4428103248323731
Energy: 0.47170091209003234
Energy: 0.46284115600036035
Energy: 0.43966712039559025
Energy: 0.46284115599989784
Energy: 0.43966712039559025
Energy: 0.46284115599989784
Energy: 0.43966712039559025
Energy: 0.4789520017771483
Energy: 0.43901376605374465
Energy: 0.4789520017766859
Energy: 0.4390137660542071
Energy: 0.4789520017771483
Energy: 0.43901376605374465
Energy: 0.44153373202970214
Energy: 0.4724192836377547
Energy: 0.44153373202970214
Energy: 0.4724192836377547
Energy: 0.44153373202970214
Energy: 0.4724192836377547
Energy: 0.451308038189657
Energy: 0.38018986778233144
Energy: 0.4513080381905819
Energy: 0.3801898677827938
Energy: 0.45130803819011944
Energy: 0.38018986778233144
Energy: 0.4651475807689641
Energy: 0.455421764135463
Energy: 0.4651475807689641
Energy: 0.45542176413592533
Energy: 0.4651475807689641
Energy: 0.455421764135463
Energy: 0.42263212087702934
Energy: 0.468530395445431
Energy: 0.4226321208765669
Energy: 0.468530395445431
Energy: 0.4226321208765669
Energy: 0.468530395445431
Energy: 0.5160056225855567
Energy: 0.3778780799774599
Energy: 0.5160056225855567
Energy: 0.3778780799774599
Energy: 0.5160056225850943
Energy: 0.37787807997792244
Energy: 0.46000954025722796
Energy: 0.46243840980138234
Energy: 0.46000954025769036
Energy: 0.46243840980138234
Energy: 0.46000954025722796
Energy: 0.46243840980138234
Energy: 0.4083772413177751
Energy: 0.47138313498444534
Energy: 0.4083772413177751
Energy: 0.47138313498444534
Energy: 0.4083772413177751
Energy: 0.47138313498444534
Energy: 0.4986217329524594
Energy: 0.4030299130021407
Energy: 0.4986217329524594
Energy: 0.4030299130021407
Energy: 0.4986217329519969
Energy: 0.4030299130016783
Energy: 0.4634820360529213
Energy: 0.45768165939116134
Energy: 0.4634820360529213
Energy: 0.45768165939069894
Energy: 0.4634820360529213
Energy: 0.45768165939116134
Energy: 0.3936291343878474
Energy: 0.4642930732813652
Energy: 0.3936291343878474
Energy: 0.4642930732813652
Energy: 0.3936291343883099
Energy: 0.4642930732813652
Energy: 0.461310402523807
Energy: 0.4314548911218104
Energy: 0.46131040252288225
Energy: 0.4314548911218104
Energy: 0.46131040252288225
Energy: 0.4314548911218104

minimum gb energy = 0.37142190921788304 eV
minimum distance =  2.55343080356303 Angstroms
sigma value = 67


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

Energy: 0.6105894123460693
Energy: 0.5378618050963492
Energy: 0.6105894123460693
Energy: 0.5378618050963492
Energy: 0.6105894123454104
Energy: 0.5378618050950313
Energy: 0.47767335526154375
Energy: 0.5418673173083333
Energy: 0.47767335526154375
Energy: 0.5418673173089921
Energy: 0.47767335526088484
Energy: 0.5418673173089921
Energy: 0.5695793299377093
Energy: 0.57566181413374
Energy: 0.5695793299370505
Energy: 0.575661814133081
Energy: 0.5695793299377093
Energy: 0.57566181413374
Energy: 0.48168366230222426
Energy: 0.5288210999832156
Energy: 0.4816836623002475
Energy: 0.5288210999825567
Energy: 0.48168366230156534
Energy: 0.5288210999825567
Energy: 0.4614338266355023
Energy: 0.4655950716490336
Energy: 0.4614338266355023
Energy: 0.4655950716490336
Energy: 0.4614338266348434
Energy: 0.46559507164771574
Energy: 0.5660199323483741
Energy: 0.5673486091308393
Energy: 0.5660199323483741
Energy: 0.5673486091301804
Energy: 0.5660199323483741
Energy: 0.5673486091308393
Energy: 0.5258900183841494
Energy: 0.5053152906330104
Energy: 0.5258900183848083
Energy: 0.5053152906330104
Energy: 0.5258900183848083
Energy: 0.5053152906330104
Energy: 0.5048725245631673
Energy: 0.4649812297042176
Energy: 0.5048725245611906
Energy: 0.4649812297081711
Energy: 0.5048725245618495
Energy: 0.4649812297127835
Energy: 0.587991058208283
Energy: 0.5496366953705017
Energy: 0.587991058208283
Energy: 0.5496366953711608
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Energy: 0.5496366953711608
Energy: 0.5640818841265149
Energy: 0.4749285773877498
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Energy: 0.4749285773877498
Energy: 0.532659824451823
Energy: 0.4650058316435871
Energy: 0.5326598244511641
Energy: 0.4650058316449049
Energy: 0.5326598244511641
Energy: 0.4650058316435871
Energy: 0.5294404691067477
Energy: 0.5143207233239943
Energy: 0.5294404691067477
Energy: 0.5143207233220175
Energy: 0.5294404691074066
Energy: 0.5143207233220175
Energy: 0.5629583372244867
Energy: 0.4677676008601526
Energy: 0.5629583372244867
Energy: 0.46776760086081154
Energy: 0.5629583372238278
Energy: 0.4677676008601526
Energy: 0.5245604297418709
Energy: 0.5819905510274012
Energy: 0.5245604297418709
Energy: 0.5819905510274012
Energy: 0.5245604297418709
Energy: 0.5819905510274012
Energy: 0.48153488299787084
Energy: 0.47848129218450486
Energy: 0.48153488299787084
Energy: 0.47848129218516383
Energy: 0.4815348829972119
Energy: 0.47848129218582275
Energy: 0.48303242293317716
Energy: 0.5472653934029276
Energy: 0.4830324229338361
Energy: 0.5472653934022687
Energy: 0.48303242293515386
Energy: 0.5472653934029276
Energy: 0.5452169240478912
Energy: 0.5759792650840743
Energy: 0.5452169240472324
Energy: 0.5759792650847333
Energy: 0.5452169240472324
Energy: 0.5759792650847333
Energy: 0.501320898748173
Energy: 0.46835814540307313
Energy: 0.501320898748173
Energy: 0.46835814540307313
Energy: 0.5013208987494908
Energy: 0.46835814540373205
Energy: 0.5241999409736982
Energy: 0.5224143443359249
Energy: 0.5241999409730392
Energy: 0.5224143443365838
Energy: 0.5241999409736982
Energy: 0.5224143443365838
Energy: 0.46626634172398934
Energy: 0.5772116270181877
Energy: 0.46626634172333037
Energy: 0.5772116270181877
Energy: 0.46626634172398934
Energy: 0.5772116270181877
Energy: 0.5302517242180258
Energy: 0.5251151431057527
Energy: 0.5302517242186847
Energy: 0.5251151431064116
Energy: 0.5302517242200026
Energy: 0.5251151431057527
Energy: 0.4785157990343136
Energy: 0.5495497219146233
Energy: 0.4785157990329958
Energy: 0.5495497219179177
Energy: 0.47851579903365465
Energy: 0.5495497219179177
Energy: 0.49308717137943797
Energy: 0.5774472694790319
Energy: 0.49308717137943797
Energy: 0.5774472694790319
Energy: 0.49308717137943797
Energy: 0.5774472694790319

minimum gb energy = 0.4614338266348434 eV
minimum distance =  2.56284995446061 Angstroms
sigma value = 33


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

Energy: 0.5987884358727177
Energy: 0.5687570546641673
Energy: 0.5987884358743897
Energy: 0.5687570546637493
Energy: 0.5987884358739717
Energy: 0.5687570546650034
Energy: 0.5269524025705841
Energy: 0.6037374358199006
Energy: 0.5269524025684941
Energy: 0.6037374358194826
Energy: 0.526952402576436
Energy: 0.6037374358199006
Energy: 0.5821991569331092
Energy: 0.6324353964540766
Energy: 0.5821991569326911
Energy: 0.6324353964540766
Energy: 0.5821991569331092
Energy: 0.6324353964540766
Energy: 0.5313050780055029
Energy: 0.5747820267226118
Energy: 0.5313050780055029
Energy: 0.5747820267226118
Energy: 0.5313050780042489
Energy: 0.5747820267221938
Energy: 0.5435490898227632
Energy: 0.5567651420928271
Energy: 0.5435490898223452
Energy: 0.5567651420928271
Energy: 0.5435490898227632
Energy: 0.5567651420928271
Energy: 0.6280296877724834
Energy: 0.6185344890507636
Energy: 0.6280296877724834
Energy: 0.6185344890507636
Energy: 0.6280296877724834
Energy: 0.6185344890507636
Energy: 0.5276501422967778
Energy: 0.5531693097366762
Energy: 0.5276501422967778
Energy: 0.5531693097366762
Energy: 0.5276501422976138
Energy: 0.5531693097370942
Energy: 0.5745058879909382
Energy: 0.517233115418561
Energy: 0.57450588799052
Energy: 0.5172331154181429
Energy: 0.5745058879917742
Energy: 0.5172331154177249
Energy: 0.5421147482717819
Energy: 0.5850447677976696
Energy: 0.5421147482705279
Energy: 0.5850447677976696
Energy: 0.5421147482688938
Energy: 0.5850447677976696
Energy: 0.6608581968378423
Energy: 0.5446135126873206
Energy: 0.6608581968382604
Energy: 0.5446135126869026
Energy: 0.6608581968378423
Energy: 0.5446135126869026
Energy: 0.6049662805106741
Energy: 0.5550585464626825
Energy: 0.6049662805115101
Energy: 0.5550585464593384
Energy: 0.6049662805110921
Energy: 0.5550585464597564
Energy: 0.5277359682345154
Energy: 0.5329495543306638
Energy: 0.5277359682348953
Energy: 0.5329495543310818
Energy: 0.5277359682345154
Energy: 0.5329495543310818
Energy: 0.6607078601855487
Energy: 0.5969858868787267
Energy: 0.6607078601855487
Energy: 0.5969858868783088
Energy: 0.6607078601863847
Energy: 0.5969858868787267
Energy: 0.5364821008898887
Energy: 0.6327713455074264
Energy: 0.5364821008940687
Energy: 0.6327713455070085
Energy: 0.5364821008932327
Energy: 0.6327713455074264
Energy: 0.5611957156451208
Energy: 0.5569505706747834
Energy: 0.5611957156451208
Energy: 0.5569505706756193
Energy: 0.5611957156447028
Energy: 0.5569505706752014
Energy: 0.5311872953992106
Energy: 0.611093596056064
Energy: 0.5311872953987927
Energy: 0.6110935960569001
Energy: 0.5311872953992106
Energy: 0.61109359605481
Energy: 0.528780293645142
Energy: 0.6333798865424883
Energy: 0.52878029364556
Energy: 0.6333798865424883
Energy: 0.52878029364556
Energy: 0.6333798865420703
Energy: 0.6022443367699899
Energy: 0.6659042148302802
Energy: 0.6022443367704079
Energy: 0.6659042148298621
Energy: 0.6022443367704079
Energy: 0.6659042148298621
Energy: 0.5317800120768724
Energy: 0.58764062139588
Energy: 0.5317800120756184
Energy: 0.587640621397134
Energy: 0.5317800120752004
Energy: 0.58764062139588
Energy: 0.5770119826086231
Energy: 0.6320828040272979
Energy: 0.5770119826086231
Energy: 0.6320828040268798
Energy: 0.5770119826082052
Energy: 0.6320828040272979
Energy: 0.5260739794549479
Energy: 0.6343504777824827
Energy: 0.5260739794549479
Energy: 0.6343504777829007
Energy: 0.5260739794549479
Energy: 0.6343504777833187
Energy: 0.5613078739101738
Energy: 0.512481290914825
Energy: 0.5613078739110097
Energy: 0.512481290914825
Energy: 0.5613078739110097
Energy: 0.512481290914407
Energy: 0.6015124253783307
Energy: 0.5553689697926485
Energy: 0.6015124253783307
Energy: 0.5553689697922305
Energy: 0.6015124253783307
Energy: 0.5553689697926485
Energy: 0.662433851146466
Energy: 0.5378222406654165
Energy: 0.6624338511460481
Energy: 0.5378222406645805
Energy: 0.662433851146466
Energy: 0.5378222406649985
Energy: 0.5259364659505636
Energy: 0.6044711789682045
Energy: 0.5259364659505636
Energy: 0.6044711789682045
Energy: 0.5259364659501456
Energy: 0.6044711789682045
Energy: 0.6051343888320088
Energy: 0.5618819862217637
Energy: 0.6051343888328449
Energy: 0.5618819862221818
Energy: 0.6051343888320088
Energy: 0.5618819862213457
Energy: 0.5275567034304033
Energy: 0.5132691350886884
Energy: 0.5275567034304033
Energy: 0.5132691350886884
Energy: 0.5275567034283132
Energy: 0.5132691350886884
Energy: 0.5261296010104365
Energy: 0.6729630547713851
Energy: 0.5261296010108545
Energy: 0.6729630547713851
Energy: 0.5261296010104365
Energy: 0.6729630547713851
Energy: 0.5737765402579014
Energy: 0.5567758085913461
Energy: 0.5737765402574834
Energy: 0.5567758085909281
Energy: 0.5737765402574834
Energy: 0.5567758085909281
Energy: 0.5325971673557668
Energy: 0.5501730691433174
Energy: 0.5325971673553488
Energy: 0.5501730691433174
Energy: 0.5325971673557668
Energy: 0.5501730691428994
Energy: 0.6293342516716078
Energy: 0.6665332182108525
Energy: 0.6293342516716078
Energy: 0.6665332182112705
Energy: 0.6293342516711897
Energy: 0.6665332182112705
Energy: 0.5446767745250896
Energy: 0.5565807133861602
Energy: 0.5446767745259257
Energy: 0.5565807133840702
Energy: 0.5446767745250896
Energy: 0.5565807133857422
Energy: 0.5313389800123833
Energy: 0.6134471572061436
Energy: 0.5313389800128012
Energy: 0.6134471572061436
Energy: 0.5313389800123833
Energy: 0.6134471572065617
Energy: 0.562405246433804
Energy: 0.6044695554655799
Energy: 0.562405246433386
Energy: 0.6044695554651618
Energy: 0.5624052464329681
Energy: 0.6044695554655799
Energy: 0.5395234160153946
Energy: 0.6323501523927623
Energy: 0.5395234160153946
Energy: 0.6323501523927623
Energy: 0.5395234160149766
Energy: 0.6323501523927623
Energy: 0.5913441270736854
Energy: 0.5698021066719747
Energy: 0.5913441270736854
Energy: 0.5698021066719747
Energy: 0.5913441270745214
Energy: 0.5698021066719747
Energy: 0.5272660683877977
Energy: 0.5579461379361311
Energy: 0.5272660683873797
Energy: 0.5579461379361311
Energy: 0.5272660683873797
Energy: 0.5579461379361311

minimum gb energy = 0.512481290914407 eV
minimum distance =  2.54276917274211 Angstroms
sigma value = 41


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

Energy: 0.7517410290313987
Energy: 0.674850347876546
Energy: 0.75174102903254
Energy: 0.6748503478776872
Energy: 0.7517410290313987
Energy: 0.674850347876546
Energy: 0.6690621512657265
Energy: 0.7012551779255255
Energy: 0.6690621512645852
Energy: 0.7012551779243843
Energy: 0.6690621512657265
Energy: 0.7012551779255255
Energy: 0.7820041783733722
Energy: 0.7148375538229972
Energy: 0.7820041783733722
Energy: 0.7148375538229972
Energy: 0.7820041783733722
Energy: 0.7148375538229972
Energy: 0.7202630307682863
Energy: 0.6978032605813076
Energy: 0.7202630307682863
Energy: 0.6978032605813076
Energy: 0.7202630307682863
Energy: 0.6978032605813076
Energy: 0.6319236446459425
Energy: 0.6906681500136185
Energy: 0.6319236446448012
Energy: 0.6906681500124772
Energy: 0.6319236446448012
Energy: 0.6906681500124772
Energy: 0.7572964546341014
Energy: 0.7299469747775092
Energy: 0.7572964546341014
Energy: 0.7299469747775092
Energy: 0.7572964546341014
Energy: 0.7299469747775092
Energy: 0.7312940492521812
Energy: 0.6545767752594756
Energy: 0.7312940492521812
Energy: 0.6545767752594756
Energy: 0.7312940492521812
Energy: 0.6545767752606167
Energy: 0.7142861104968702
Energy: 0.7187442127734023
Energy: 0.7142861104968702
Energy: 0.7187442127734023
Energy: 0.7142861104968702
Energy: 0.7187442127745435
Energy: 0.5876270591089167
Energy: 0.672435820225741
Energy: 0.5876270591089167
Energy: 0.672435820225741
Energy: 0.5876270591111992
Energy: 0.6724358202245997
Energy: 0.7340560335476767
Energy: 0.6765162209092195
Energy: 0.7340560335476767
Energy: 0.6765162209080783
Energy: 0.7340560335476767
Energy: 0.6765162209080783
Energy: 0.586672388089092
Energy: 0.7146347378292077
Energy: 0.586672388089092
Energy: 0.7146347378280665
Energy: 0.5866723880902333
Energy: 0.7146347378280665
Energy: 0.6485031207859728
Energy: 0.7011559773322728
Energy: 0.6485031207859728
Energy: 0.7011559773299902
Energy: 0.6485031207859728
Energy: 0.7011559773311314
Energy: 0.7460824714328418
Energy: 0.6954761515245678
Energy: 0.7460824714328418
Energy: 0.695476151525709
Energy: 0.7460824714339831
Energy: 0.695476151525709
Energy: 0.6435871886534015
Energy: 0.6673721341431242
Energy: 0.6435871886534015
Energy: 0.6673721341454067
Energy: 0.6435871886534015
Energy: 0.6673721341419829

minimum gb energy = 0.586672388089092 eV
minimum distance =  2.54537876844549 Angstroms
sigma value = 11


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

Energy: 0.8378935583842912
Energy: 0.806683649025385
Energy: 0.8378935583842912
Energy: 0.806683649025385
Energy: 0.8378935583842912
Energy: 0.8066836490248837
Energy: 0.7084310431702152
Energy: 0.782674577122318
Energy: 0.7084310431707166
Energy: 0.7826745771218165
Energy: 0.7084310431702152
Energy: 0.7826745771218165
Energy: 0.7794823154387165
Energy: 0.7780295554456617
Energy: 0.7794823154387165
Energy: 0.7780295554456617
Energy: 0.7794823154392179
Energy: 0.7780295554456617
Energy: 0.7865896509868903
Energy: 0.7116985353989829
Energy: 0.7865896509868903
Energy: 0.7116985353989829
Energy: 0.7865896509868903
Energy: 0.7116985353989829
Energy: 0.7671882811010345
Energy: 0.7759574043843105
Energy: 0.7671882811015358
Energy: 0.7759574043843105
Energy: 0.7671882811015358
Energy: 0.7759574043843105
Energy: 0.7583681741017161
Energy: 0.7970830944596896
Energy: 0.7583681741012147
Energy: 0.7970830944596896
Energy: 0.7583681741017161
Energy: 0.7970830944601911
Energy: 0.7866856224489175
Energy: 0.7564740447201319
Energy: 0.786685622448416
Energy: 0.7564740447201319
Energy: 0.786685622448416
Energy: 0.7564740447201319
Energy: 0.7569522179208729
Energy: 0.7729538051151378
Energy: 0.7569522179203713
Energy: 0.7729538051151378
Energy: 0.7569522179208729
Energy: 0.7729538051151378
Energy: 0.7679119437399661
Energy: 0.7667881630696792
Energy: 0.7679119437399661
Energy: 0.7667881630691779
Energy: 0.7679119437394647
Energy: 0.7667881630696792
Energy: 0.7726439671747554
Energy: 0.763073109262985
Energy: 0.7726439671747554
Energy: 0.7630731092624836
Energy: 0.7726439671747554
Energy: 0.7630731092624836
Energy: 0.7183462607590511
Energy: 0.7867982549750917
Energy: 0.7183462607590511
Energy: 0.786798254975593
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Energy: 0.7867982549750917
Energy: 0.7768238353718506
Energy: 0.808721755533044
Energy: 0.7768238353718506
Energy: 0.808721755533044
Energy: 0.7768238353718506
Energy: 0.808721755533044
Energy: 0.7856180705971797
Energy: 0.738433718908288
Energy: 0.7856180705966782
Energy: 0.7384337189087894
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Energy: 0.7529511223516541
Energy: 0.7797393519013682
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Energy: 0.7797393519018696
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Energy: 0.7549644277336363
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Energy: 0.7906785003237055
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Energy: 0.7906785003232041
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Energy: 0.7906785003227027
Energy: 0.732770660409677
Energy: 0.7041223491325191
Energy: 0.7807081190123126
Energy: 0.7041223491325191
Energy: 0.780708119012814
Energy: 0.7041223491320178
Energy: 0.7807081190137939
Energy: 0.7920322094247333
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Energy: 0.7920322094247333
Energy: 0.7976370102153163
Energy: 0.7920322094247333
Energy: 0.7976370102148149
Energy: 0.7588209039043404
Energy: 0.6877647505526946
Energy: 0.7588209039038389
Energy: 0.6877647505526946
Energy: 0.7588209039043404
Energy: 0.6877647505511906
Energy: 0.7355806087631519
Energy: 0.7820330292834983
Energy: 0.7355806087631519
Energy: 0.7820330292834983
Energy: 0.7355806087641548
Energy: 0.7820330292834983
Energy: 0.7167495762133835
Energy: 0.7412354762098796
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Energy: 0.7412354762098796
Energy: 0.7167495762133835
Energy: 0.741235476210381
Energy: 0.7984287537261077
Energy: 0.8109087824945724
Energy: 0.7984287537261077
Energy: 0.8109087824945724
Energy: 0.7984287537261077
Energy: 0.8109087824945724
Energy: 0.7517013690388358
Energy: 0.7780830334424428
Energy: 0.7517013690383343
Energy: 0.7780830334429442
Energy: 0.7517013690388358
Energy: 0.7780830334429442
Energy: 0.7794257560456064
Energy: 0.7961474115996611
Energy: 0.7794257560451051
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Energy: 0.7794257560451051
Energy: 0.7961474115996611
Energy: 0.7705732837347543
Energy: 0.7440781555622485
Energy: 0.7705732837347543
Energy: 0.7440781555627499
Energy: 0.7705732837347543
Energy: 0.7440781555622485
Energy: 0.7280780530425285
Energy: 0.7836556495567325
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Energy: 0.7836556495567325
Energy: 0.7280780530425285
Energy: 0.7836556495567325
Energy: 0.7566894076167233
Energy: 0.7879954232336177
Energy: 0.7566894076167233
Energy: 0.7879954232351217
Energy: 0.7566894076167233
Energy: 0.7879954232346205
Energy: 0.7854018607141953
Energy: 0.7381768708570654
Energy: 0.7854018607141953
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Energy: 0.7854018607131926
Energy: 0.7381768708570654
Energy: 0.7533181267960868
Energy: 0.7792615683168853
Energy: 0.7533181267955856
Energy: 0.7792615683133758
Energy: 0.7533181267955856
Energy: 0.7792615683138772
Energy: 0.7436144927111413
Energy: 0.7039831077681014
Energy: 0.7436144927106401
Energy: 0.7039831077681014
Energy: 0.7436144927111413
Energy: 0.7039831077681014
Energy: 0.7733054205000212
Energy: 0.7583952015137441
Energy: 0.7733054205000212
Energy: 0.7583952015147467
Energy: 0.7733054205000212
Energy: 0.7583952015127413

minimum gb energy = 0.6877647505511906 eV
minimum distance =  2.50875553761201 Angstroms
sigma value = 57


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

Energy: 0.7269377322515582
Energy: 0.666116170616147
Energy: 0.7269377322515582
Energy: 0.6661161706152549
Energy: 0.7269377322515582
Energy: 0.666116170616147
Energy: 0.7687891814364213
Energy: 0.6810758083941459
Energy: 0.7687891814364213
Energy: 0.6810758083932538
Energy: 0.7687891814364213
Energy: 0.6810758083932538
Energy: 0.779118540251515
Energy: 0.7476688281155713
Energy: 0.7791185402524071
Energy: 0.7476688281155713
Energy: 0.7791185402524071
Energy: 0.7476688281155713
Energy: 0.7159167784013215
Energy: 0.7253792663066593
Energy: 0.7159167784022137
Energy: 0.7253792663066593
Energy: 0.7159167784013215
Energy: 0.7253792663066593
Energy: 0.7790742376720617
Energy: 0.7476671941376622
Energy: 0.7790742376720617
Energy: 0.7476671941376622
Energy: 0.7790742376720617
Energy: 0.7476671941376622
Energy: 0.7685705268217673
Energy: 0.6942418098729053
Energy: 0.7685705268217673
Energy: 0.6942418098729053
Energy: 0.7685705268217673
Energy: 0.6942418098729053
Energy: 0.7269377322497739
Energy: 0.666116170616147
Energy: 0.7269377322497739
Energy: 0.666116170616147
Energy: 0.7269377322497739
Energy: 0.666116170616147
Energy: 0.7687891814364213
Energy: 0.6810758083941459
Energy: 0.7687891814373135
Energy: 0.6810758083941459
Energy: 0.7687891814364213
Energy: 0.6810758083941459
Energy: 0.7791185402524071
Energy: 0.7476688281155713
Energy: 0.7791185402524071
Energy: 0.7476688281155713
Energy: 0.7791185402524071
Energy: 0.7476688281155713
Energy: 0.7159167784031059
Energy: 0.7253792663075515
Energy: 0.7159167784031059
Energy: 0.7253792663075515
Energy: 0.7159167784031059
Energy: 0.7253792663075515
Energy: 0.7790742376720617
Energy: 0.7476671941367701
Energy: 0.7790742376711697
Energy: 0.7476671941367701
Energy: 0.7790742376711697
Energy: 0.7476671941367701
Energy: 0.7685705268226594
Energy: 0.6942418098702288
Energy: 0.7685705268217673
Energy: 0.6942418098702288
Energy: 0.7685705268226594
Energy: 0.694241809871121
Energy: 0.7269377322515582
Energy: 0.666116170616147
Energy: 0.7269377322515582
Energy: 0.666116170616147
Energy: 0.7269377322515582
Energy: 0.666116170616147
Energy: 0.7687891814364213
Energy: 0.6810758083941459
Energy: 0.7687891814364213
Energy: 0.6810758083941459
Energy: 0.7687891814364213
Energy: 0.6810758083932538
Energy: 0.7791185402524071
Energy: 0.7476688281155713
Energy: 0.7791185402524071
Energy: 0.7476688281155713
Energy: 0.7791185402524071
Energy: 0.7476688281155713
Energy: 0.7159167784013215
Energy: 0.6973589025208276
Energy: 0.7159167784022137
Energy: 0.7317618883088924
Energy: 0.7159167784013215
Energy: 0.7253792663066593
Energy: 0.7790742376720617
Energy: 0.7476671941376622
Energy: 0.7790742376720617
Energy: 0.7476671941376622
Energy: 0.7790742376720617
Energy: 0.7476671941376622

minimum gb energy = 0.6661161706152549 eV
minimum distance =  2.52826328416162 Angstroms
sigma value = 9


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

Energy: 0.7993160910142789
Energy: 0.713779138268946
Energy: 0.7993160910142789
Energy: 0.7137791382696743
Energy: 0.7993160910142789
Energy: 0.7137791382696743
Energy: 0.742374511972103
Energy: 0.7659838436270905
Energy: 0.742374511972103
Energy: 0.7659838436263621
Energy: 0.7423745119728316
Energy: 0.7659838436270905
Energy: 0.73694754871999
Energy: 0.7605972635911044
Energy: 0.7369475487207184
Energy: 0.7605972635918328
Energy: 0.7369475487192616
Energy: 0.7605972635918328
Energy: 0.7576367937263575
Energy: 0.788735154378854
Energy: 0.7576367937263575
Energy: 0.7887351543781256
Energy: 0.7576367937263575
Energy: 0.7887351543781256
Energy: 0.7622777873953668
Energy: 0.7712952718969291
Energy: 0.7622777873946383
Energy: 0.7712952718969291
Energy: 0.7622777873953668
Energy: 0.7712952718969291
Energy: 0.7314231402257539
Energy: 0.7733281945691164
Energy: 0.7314231402257539
Energy: 0.7733281945691164
Energy: 0.7314231402257539
Energy: 0.7733281945684211
Energy: 0.7628474841797838
Energy: 0.7479370858312179
Energy: 0.7628474841790553
Energy: 0.7479370858312179
Energy: 0.7628474841790553
Energy: 0.7479370858312179
Energy: 0.7395585341579571
Energy: 0.770076744594755
Energy: 0.7395585341594141
Energy: 0.7700767445976686
Energy: 0.7395585341579571
Energy: 0.7700767445940264
Energy: 0.7816263744213058
Energy: 0.7527529302153804
Energy: 0.7816263744205774
Energy: 0.7527529302182943
Energy: 0.7816263744205774
Energy: 0.7527529302146521
Energy: 0.7651284435638551
Energy: 0.7418572919186788
Energy: 0.7651284435638551
Energy: 0.7418572919186788
Energy: 0.7651284435638551
Energy: 0.7418572919179504
Energy: 0.7112643564986751
Energy: 0.7317497853935395
Energy: 0.7112643564986751
Energy: 0.7317497853920826
Energy: 0.7112643565001322
Energy: 0.7317497853920826
Energy: 0.7712094228577144
Energy: 0.774515543379427
Energy: 0.7712094228577144
Energy: 0.774515543379427
Energy: 0.7712094228577144
Energy: 0.7745155433801555
Energy: 0.7612330521598434
Energy: 0.7602241193923093
Energy: 0.7612330521598434
Energy: 0.7602241193923093
Energy: 0.7612330521605718
Energy: 0.7602241193923093
Energy: 0.7547360047234768
Energy: 0.7365009641469323
Energy: 0.7547360047242053
Energy: 0.7365009641476608
Energy: 0.7547360047249337
Energy: 0.7365009641476608
Energy: 0.7775680382667685
Energy: 0.7670771260533626
Energy: 0.7775680382667685
Energy: 0.7670771260540912
Energy: 0.7775680382667685
Energy: 0.7670771260533626
Energy: 0.8020077586022405
Energy: 0.7415017845788477
Energy: 0.8020077586022405
Energy: 0.7415017845781194
Energy: 0.802007758602969
Energy: 0.7415017845781194
Energy: 0.7821255573308273
Energy: 0.7333241366150299
Energy: 0.7821255573308273
Energy: 0.7333241366150299
Energy: 0.7821255573293704
Energy: 0.7333241366150299
Energy: 0.805272591239893
Energy: 0.7684302495019992
Energy: 0.8052725912391646
Energy: 0.7684302495027278
Energy: 0.8052725912391646
Energy: 0.7684302495034562
Energy: 0.7505658703499227
Energy: 0.7482254627860353
Energy: 0.7505658703499227
Energy: 0.7482254627860353
Energy: 0.7505658703499227
Energy: 0.7482254627860353
Energy: 0.7577572331630182
Energy: 0.7118043928552145
Energy: 0.7577572331637467
Energy: 0.7118043928544859
Energy: 0.7577572331630182
Energy: 0.7118043928544859
Energy: 0.774055757557023
Energy: 0.7857409433205081
Energy: 0.774055757557023
Energy: 0.7857409433205081
Energy: 0.774055757557023
Energy: 0.7857409433205081

minimum gb energy = 0.7112643564986751 eV
minimum distance =  2.49553044241997 Angstroms
sigma value = 27


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

Energy: 0.7832445790788969
Energy: 0.7231984028904096
Energy: 0.7832445790795111
Energy: 0.7231984028897955
Energy: 0.7832445790788969
Energy: 0.7231984028904096
Energy: 0.7462064096998645
Energy: 0.7096944925248874
Energy: 0.7462064096998645
Energy: 0.7096944925242733
Energy: 0.7462064096998645
Energy: 0.7096944925414663
Energy: 0.689158764649657
Energy: 0.7581427968053384
Energy: 0.689158764649657
Energy: 0.7581427968065665
Energy: 0.689158764649657
Energy: 0.7581427968071806
Energy: 0.7118182501824187
Energy: 0.7104290024121384
Energy: 0.7118182501824187
Energy: 0.7104290024152086
Energy: 0.7118182501824187
Energy: 0.7104290024201209
Energy: 0.7112945788423825
Energy: 0.6689059681242943
Energy: 0.7112945788540492
Energy: 0.6689059681242943
Energy: 0.7112945788411544
Energy: 0.6689059681242943
Energy: 0.6652254647093898
Energy: 0.7499620041407504
Energy: 0.6652254647087759
Energy: 0.7499620041407504
Energy: 0.6652254647087759
Energy: 0.7499620041401364
Energy: 0.7464449241265712
Energy: 0.7131048273580296
Energy: 0.7464449241265712
Energy: 0.7131048273586437
Energy: 0.7464449241271852
Energy: 0.7131048273580296
Energy: 0.7371429538461693
Energy: 0.6889365452199108
Energy: 0.7371429538461693
Energy: 0.6889365452192967
Energy: 0.7371429538461693
Energy: 0.6889365452192967
Energy: 0.7038045900483133
Energy: 0.7494156039996478
Energy: 0.7038045900483133
Energy: 0.7494156039996478
Energy: 0.7038045900489273
Energy: 0.7494156039990337
Energy: 0.7117674487901734
Energy: 0.7123937782628111
Energy: 0.7117674487901734
Energy: 0.7123937782621973
Energy: 0.7117674487901734
Energy: 0.7123937782621973
Energy: 0.7118306652173828
Energy: 0.7350075848344738
Energy: 0.7118306652161548
Energy: 0.7350075848344738
Energy: 0.711830665219225
Energy: 0.7350075848344738
Energy: 0.7108021948203257
Energy: 0.7574539630115519
Energy: 0.7108021948197116
Energy: 0.7574539630115519
Energy: 0.7108021948203257
Energy: 0.757453963012166
Energy: 0.7394323052432226
Energy: 0.7367220517239284
Energy: 0.7394323052426086
Energy: 0.7367220517233144
Energy: 0.7394323052432226
Energy: 0.7367220517233144
Energy: 0.7459714445159623
Energy: 0.7035362863192361
Energy: 0.7459714445159623
Energy: 0.7035362863186221
Energy: 0.7459714445165763
Energy: 0.7035362863192361
Energy: 0.6652233821161165
Energy: 0.7502394583273182
Energy: 0.6652233821161165
Energy: 0.750239458326704
Energy: 0.6652233821161165
Energy: 0.7502394583273182
Energy: 0.7107824648223778
Energy: 0.6682335199882139
Energy: 0.7107824648223778
Energy: 0.6682335199882139
Energy: 0.7107824648229919
Energy: 0.6682335199875998
Energy: 0.7492272710134039
Energy: 0.7301003016939959
Energy: 0.7492272710134039
Energy: 0.7301003016939959
Energy: 0.7492272710134039
Energy: 0.7301003016939959
Energy: 0.6888539112114962
Energy: 0.7275535681033202
Energy: 0.6888539112114962
Energy: 0.7275535681045483
Energy: 0.6888539112114962
Energy: 0.7275535681045483
Energy: 0.6600617327822624
Energy: 0.7106690112545526
Energy: 0.6600617327828764
Energy: 0.7106690112570087
Energy: 0.6600617327828764
Energy: 0.7106690112563948
Energy: 0.7832445790795111
Energy: 0.7231984028891816
Energy: 0.7832445790795111
Energy: 0.7231984028891816
Energy: 0.7832445790795111
Energy: 0.7231984028891816
Energy: 0.7462064097029348
Energy: 0.7096944925279575
Energy: 0.746206409704163
Energy: 0.7096944925322557
Energy: 0.7462064097035488
Energy: 0.7096944925396241
Energy: 0.6891587646514992
Energy: 0.7581427968090225
Energy: 0.6891587646508851
Energy: 0.7581427968059524
Energy: 0.6891587646514992
Energy: 0.7581427968059524
Energy: 0.7118182501830329
Energy: 0.7104290024145945
Energy: 0.7118182501836469
Energy: 0.7104290024109103
Energy: 0.7118182501824187
Energy: 0.7104290024133664
Energy: 0.7112945788393124
Energy: 0.6689059681255224
Energy: 0.7112945788393124
Energy: 0.6689059681255224
Energy: 0.7112945788399263
Energy: 0.6689059681255224
Energy: 0.6652254647081618
Energy: 0.7499620041401364
Energy: 0.6652254647087759
Energy: 0.7499620041395224
Energy: 0.6652254647081618
Energy: 0.7499620041401364

minimum gb energy = 0.6600617327822624 eV
minimum distance =  2.51317959269781 Angstroms
sigma value = 19


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

Energy: 0.7518926075600374
Energy: 0.72291473933809
Energy: 0.7518926075605674
Energy: 0.72291473933809
Energy: 0.7518926075600374
Energy: 0.72291473933809
Energy: 0.7579638566868993
Energy: 0.745276466168902
Energy: 0.7579638566868993
Energy: 0.745276466169432
Energy: 0.7579638566863693
Energy: 0.745276466169432
Energy: 0.736716213467878
Energy: 0.7171318667409257
Energy: 0.7367162134673478
Energy: 0.7171318667403958
Energy: 0.736716213467878
Energy: 0.7171318667403958
Energy: 0.7267625639062891
Energy: 0.7376824525785622
Energy: 0.726762563906819
Energy: 0.7376824525780322
Energy: 0.7267625639062891
Energy: 0.7376824525785622
Energy: 0.7268901922643028
Energy: 0.7570714083322879
Energy: 0.7268901922648329
Energy: 0.7570714083328179
Energy: 0.7268901922648329
Energy: 0.7570714083322879
Energy: 0.7443090918827483
Energy: 0.7314716928425846
Energy: 0.7443090918827483
Energy: 0.7314716928425846
Energy: 0.7443090918832783
Energy: 0.7314716928425846
Energy: 0.7163308809851493
Energy: 0.754919027251222
Energy: 0.7163308809851493
Energy: 0.7549190272517521
Energy: 0.7163308809846193
Energy: 0.754919027250692
Energy: 0.7450802751363613
Energy: 0.7589138199658814
Energy: 0.7450802751363613
Energy: 0.7589138199658814
Energy: 0.7450802751368915
Energy: 0.7589138199664114
Energy: 0.7628487563851745
Energy: 0.7163084879385782
Energy: 0.7628487563851745
Energy: 0.7163084879391082
Energy: 0.7628487563857044
Energy: 0.7163084879385782
Energy: 0.7449820559538621
Energy: 0.7374505785932869
Energy: 0.7449820559533321
Energy: 0.7374505785932869
Energy: 0.7449820559533321
Energy: 0.7374505785938169
Energy: 0.7223468402539909
Energy: 0.7604520197425816
Energy: 0.722346840254521
Energy: 0.7604520197425816
Energy: 0.7223468402539909
Energy: 0.7604520197431118
Energy: 0.756380119647744
Energy: 0.7167058250748354
Energy: 0.756380119647744
Energy: 0.7167058250753654
Energy: 0.756380119647744
Energy: 0.7167058250748354
Energy: 0.7513708521116254
Energy: 0.7367575509260162
Energy: 0.7513708521116254
Energy: 0.7367575509265462
Energy: 0.7513708521110953
Energy: 0.7367575509260162
Energy: 0.7288703807201752
Energy: 0.7393355073875423
Energy: 0.7288703807201752
Energy: 0.7393355073875423
Energy: 0.7288703807201752
Energy: 0.7393355073870121
Energy: 0.7434170308807865
Energy: 0.7127521742619466
Energy: 0.7434170308813165
Energy: 0.7127521742619466
Energy: 0.7434170308818465
Energy: 0.7127521742619466
Energy: 0.7580352289018294
Energy: 0.7188737578184125
Energy: 0.7580352289018294
Energy: 0.7188737578184125
Energy: 0.7580352289018294
Energy: 0.7188737578184125
Energy: 0.7259513705656431
Energy: 0.7491461655047593
Energy: 0.7259513705656431
Energy: 0.7491461655042293
Energy: 0.7259513705656431
Energy: 0.7491461655047593
Energy: 0.7401743493384901
Energy: 0.7628307354781156
Energy: 0.7401743493384901
Energy: 0.7628307354781156
Energy: 0.7401743493384901
Energy: 0.7628307354781156
Energy: 0.7288811821598449
Energy: 0.730827632197274
Energy: 0.7288811821609049
Energy: 0.7308276321967438
Energy: 0.7288811821582547
Energy: 0.7308276321967438
Energy: 0.7262725956937343
Energy: 0.7413936090806231
Energy: 0.7262725956937343
Energy: 0.741393609080093
Energy: 0.7262725956937343
Energy: 0.741393609080093
Energy: 0.7124473898978153
Energy: 0.7811460242490104
Energy: 0.7124473898978153
Energy: 0.7811460242490104
Energy: 0.7124473898972853
Energy: 0.7811460242490104
Energy: 0.7644104556662774
Energy: 0.7166654108728862
Energy: 0.7644104556657473
Energy: 0.716665410872356
Energy: 0.7644104556657473
Energy: 0.716665410872356
Energy: 0.7769186909672791
Energy: 0.7515964094786296
Energy: 0.7769186909678091
Energy: 0.7515964094791597
Energy: 0.7769186909688691
Energy: 0.7515964094791597
Energy: 0.7549194365450436
Energy: 0.7286652933229939
Energy: 0.7549194365450436
Energy: 0.7286652933229939
Energy: 0.7549194365450436
Energy: 0.7286652933229939
Energy: 0.7324274829127525
Energy: 0.7182573159716621
Energy: 0.7324274829122225
Energy: 0.7182573159711321
Energy: 0.7324274829132825
Energy: 0.7182573159716621
Energy: 0.7380491123410602
Energy: 0.7226242425319648
Energy: 0.7380491123410602
Energy: 0.7226242425314348
Energy: 0.7380491123405302
Energy: 0.7226242425314348
Energy: 0.719619998626663
Energy: 0.7269476407713301
Energy: 0.7196199986271932
Energy: 0.7269476407713301
Energy: 0.7196199986271932
Energy: 0.7269476407713301
Energy: 0.7507012472383396
Energy: 0.7303428126404282
Energy: 0.7507012472393997
Energy: 0.7303428126409583
Energy: 0.7507012472468201
Energy: 0.7303428126409583
Energy: 0.7539666865997807
Energy: 0.7301735823069243
Energy: 0.7539666865997807
Energy: 0.7301735823069243
Energy: 0.7539666865997807
Energy: 0.7301735823069243

minimum gb energy = 0.7124473898972853 eV
minimum distance =  2.50704107029771 Angstroms
sigma value = 101


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

Energy: 0.7152028778051264
Energy: 0.7581649738370719
Energy: 0.7152028778051264
Energy: 0.7581649738375379
Energy: 0.7152028778046604
Energy: 0.7581649738370719
Energy: 0.7265645838649697
Energy: 0.7107752483260884
Energy: 0.7265645838654355
Energy: 0.7107752483260884
Energy: 0.7265645838649697
Energy: 0.7107752483260884
Energy: 0.7427147041857888
Energy: 0.6870083513591136
Energy: 0.7427147041862547
Energy: 0.6870083513591136
Energy: 0.7427147041862547
Energy: 0.6870083513591136
Energy: 0.6819814987119389
Energy: 0.7348652653773253
Energy: 0.6819814987119389
Energy: 0.7348652653773253
Energy: 0.6819814987119389
Energy: 0.7348652653787017
Energy: 0.7059559275354768
Energy: 0.7221492118285682
Energy: 0.7059559275354768
Energy: 0.7221492118285682
Energy: 0.7059559275359427
Energy: 0.7221492118285682
Energy: 0.7408631163687607
Energy: 0.6861145502680378
Energy: 0.7408631163687607
Energy: 0.6861145502680378
Energy: 0.7408631163687607
Energy: 0.6861145502680378
Energy: 0.7097895526630686
Energy: 0.717177839944634
Energy: 0.7097895526626027
Energy: 0.7171778399451
Energy: 0.7097895526626027
Energy: 0.717177839944634
Energy: 0.6808507603914307
Energy: 0.7189290496976336
Energy: 0.6808507603914307
Energy: 0.7189290496976336
Energy: 0.6808507603914307
Energy: 0.7189290496985655
Energy: 0.7415125199632199
Energy: 0.6869749658761871
Energy: 0.7415125199636856
Energy: 0.6869749658761871
Energy: 0.7415125199636856
Energy: 0.6869749658761871
Energy: 0.7048287533950494
Energy: 0.7275453720094485
Energy: 0.7048287533955151
Energy: 0.7275453720099143
Energy: 0.7048287533950494
Energy: 0.7275453720108461
Energy: 0.6781190789139502
Energy: 0.7967064269108317
Energy: 0.6781190789134843
Energy: 0.7967064269108317
Energy: 0.6781190789139502
Energy: 0.7967064269103659
Energy: 0.7362790408530014
Energy: 0.6938325992514315
Energy: 0.7362790408530014
Energy: 0.6938325992518974
Energy: 0.7362790408530014
Energy: 0.6938325992514315
Energy: 0.7223293355737308
Energy: 0.6875381197044756
Energy: 0.722329335573265
Energy: 0.6875381197044756
Energy: 0.7223293355737308
Energy: 0.6875381197044756
Energy: 0.7189612801119434
Energy: 0.729155691631133
Energy: 0.7189612801114774
Energy: 0.7560655400102184
Energy: 0.7189612801114774
Energy: 0.7382598618036121
Energy: 0.7470227812008957
Energy: 0.7205479700153125
Energy: 0.7470227812004298
Energy: 0.7205479700143806
Energy: 0.7470227812008957
Energy: 0.7205479700153125
Energy: 0.7432583587655248
Energy: 0.6860389822938822
Energy: 0.7432583587659908
Energy: 0.6860389822938822
Energy: 0.7432583587659908
Energy: 0.6860389822943481
Energy: 0.677574050969626
Energy: 0.7278050758737787
Energy: 0.6775740509691599
Energy: 0.7278050758733128
Energy: 0.6775740509700918
Energy: 0.7278050758733128
Energy: 0.6754471943622755
Energy: 0.6970830054491971
Energy: 0.6754471943618097
Energy: 0.6970830054491971
Energy: 0.6754471943627415
Energy: 0.6970830054491971
Energy: 0.7401726020042816
Energy: 0.6868472109674275
Energy: 0.7401726020056794
Energy: 0.6868472109674275
Energy: 0.7401726020061453
Energy: 0.6868472109669616
Energy: 0.694564385635484
Energy: 0.7014591147850928
Energy: 0.694564385635484
Energy: 0.7014591147850928
Energy: 0.694564385635484
Energy: 0.7014591147855588
Energy: 0.6778339991521896
Energy: 0.8002069543564614
Energy: 0.6778339991521896
Energy: 0.8002069543559956
Energy: 0.6778339991526554
Energy: 0.8002069543564614
Energy: 0.7222799540931244
Energy: 0.6831438547817956
Energy: 0.7222799540926585
Energy: 0.6831438547813297
Energy: 0.7222799540926585
Energy: 0.6831438547817956
Energy: 0.7287950028475965
Energy: 0.6832847839689525
Energy: 0.7287950028475965
Energy: 0.6832847839698631
Energy: 0.7287950028475965
Energy: 0.6832847839698631
Energy: 0.6819148787284552
Energy: 0.7318230517426096
Energy: 0.6819148787289213
Energy: 0.7318230517426096
Energy: 0.6819148787284552
Energy: 0.7318230517426096
Energy: 0.7575497423740243
Energy: 0.7002630665240515
Energy: 0.7575497423740243
Energy: 0.7002630665235857
Energy: 0.7575497423740243
Energy: 0.7002630665235857
Energy: 0.7210980788760151
Energy: 0.6857669664795865
Energy: 0.7210980788760151
Energy: 0.6857669664800524
Energy: 0.7210980788760151
Energy: 0.6857669664800524
Energy: 0.7152916016078723
Energy: 0.7157340416888998
Energy: 0.7152916016074065
Energy: 0.7157340416888998
Energy: 0.7152916016078723
Energy: 0.7157340416884339
Energy: 0.7155681922177922
Energy: 0.7369754257130836
Energy: 0.715568192218258
Energy: 0.7369754257121517
Energy: 0.7155681922187239
Energy: 0.7369754257126178
Energy: 0.7318218238356037
Energy: 0.6934250741422988
Energy: 0.7318218238356037
Energy: 0.6934250741427646
Energy: 0.7318218238351377
Energy: 0.6934250741418327
Energy: 0.6755091319771701
Energy: 0.7267193156649394
Energy: 0.6755091319776361
Energy: 0.7267193156565528
Energy: 0.6755091319771701
Energy: 0.7267193156686667
Energy: 0.6774771950912395
Energy: 0.7001818190637841
Energy: 0.6774771950912395
Energy: 0.7001818190637841
Energy: 0.6774771950917055
Energy: 0.7001818190637841
Energy: 0.7300854797776735
Energy: 0.6830726299430345
Energy: 0.7300854797781394
Energy: 0.6830726299430345
Energy: 0.7300854797776735
Energy: 0.6830726299430345
Energy: 0.7302176028606108
Energy: 0.6833231391057969
Energy: 0.7302176028601448
Energy: 0.6833231391067286
Energy: 0.730217602859213
Energy: 0.6833231391057969

minimum gb energy = 0.6754471943618097 eV
minimum distance =  2.51444649435561 Angstroms
sigma value = 33


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

Energy: 0.012250847479637799
Energy: 0.6210160073847294
Energy: 0.012250847479637799
Energy: 0.6210160073843639
Energy: 0.012250847479637799
Energy: 0.6210160073847294
Energy: 0.012842973195282168
Energy: 0.23231052321069884
Energy: 0.012842973195282168
Energy: 0.23231052320919338
Energy: 0.012842973195282168
Energy: 0.2323105232099461
Energy: 0.6215248764218383
Energy: 0.23214802220877498
Energy: 0.621524876424118
Energy: 0.23214802129203121
Energy: 0.6215248764237309
Energy: 0.2321480209700547
Energy: 0.01284297319642202
Energy: 0.23231052321033324
Energy: 0.01284297319642202
Energy: 0.23231052320844064
Energy: 0.01284297319642202
Energy: 0.2323105232095805

minimum gb energy = 0.012250847479637799 eV
minimum distance =  2.72487021029562 Angstroms
sigma value = 1