Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.430137217044831
cohesive_energy=3.990966885422167
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017188768409674253
Energy: 0.6795468158025838
Energy: 0.017188768409674253
Energy: 0.6795468158028934
Energy: 0.017188768409674253
Energy: 0.6795468158028934
Energy: 0.6795468158028934
Energy: 1.3214847429763272
Energy: 0.6795468158025838
Energy: 1.5133152689170073
Energy: 0.6795468158025838
Energy: 1.5133152689194067
Energy: 0.017188768409674253
Energy: 0.6795468158028934
Energy: 0.017188768409674253
Energy: 0.6795468158028934
Energy: 0.017188768409674253
Energy: 0.6795468158028934
Energy: 0.6795468158028934
Energy: 1.5133152689170073
Energy: 0.6795468158028934
Energy: 1.3473609470558126
Energy: 0.6795468158022355
Energy: 1.347360947056161
Energy: 0.017188768409674253
Energy: 0.6795468158032417
Energy: 0.017188768409674253
Energy: 0.6795468158032417
Energy: 0.017188768409674253
Energy: 0.6795468158028934
Energy: 0.6795468158028934
Energy: 1.5133152689228127
Energy: 0.6795468158025838
Energy: 1.3473609470578636
Energy: 0.6795468158022355
Energy: 1.0838053565655825

minimum gb energy = 0.017188768409674253 eV
minimum distance =  2.20282396755227 Angstroms
sigma value = 1


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

Energy: 0.7943412123443107
Energy: 0.8893120293563036
Energy: 0.7943412123443107
Energy: 0.8893120293537883
Energy: 0.7943412123435485
Energy: 0.889312029358819
Energy: 0.8569894212491365
Energy: 0.8059686056954061
Energy: 0.8569894212424287
Energy: 0.8059686056954061
Energy: 0.8569894212415903
Energy: 0.8059686056962445
Energy: 0.7906341923354107
Energy: 0.7820691834179441
Energy: 0.7906341923345722
Energy: 0.7820691834196211
Energy: 0.7906341923337338
Energy: 0.7820691834204595
Energy: 0.796939021764656
Energy: 0.7478207002610238
Energy: 0.7969390217747176
Energy: 0.7478207002635392
Energy: 0.7969390217571101
Energy: 0.747820700266893
Energy: 0.8076161162846666
Energy: 0.7953622408793858
Energy: 0.807616116285505
Energy: 0.7953622408802242
Energy: 0.8076161162838281
Energy: 0.7953622408785472
Energy: 0.8330160637864388
Energy: 0.775234015224241
Energy: 0.8330160637872772
Energy: 0.7752340152259178
Energy: 0.8330160637864388
Energy: 0.7752340152376562
Energy: 0.7757322661496949
Energy: 0.8069115723542662
Energy: 0.775732266138795
Energy: 0.8069115723542662
Energy: 0.7757322661488564
Energy: 0.8069115723534277
Energy: 0.7712331393932673
Energy: 0.8559942698309843
Energy: 0.7712331393932673
Energy: 0.8559942698301459
Energy: 0.7712331394008135
Energy: 0.8559942698301459
Energy: 0.8347881359253572
Energy: 0.7882365374856953
Energy: 0.8347881359253572
Energy: 0.7882365374831799
Energy: 0.8347881359228417
Energy: 0.7882365374840186
Energy: 0.7972788126354513
Energy: 0.850653345698784
Energy: 0.7972788126354513
Energy: 0.8506533456903995
Energy: 0.7972788126388052
Energy: 0.8506533456878842
Energy: 0.7896828408886591
Energy: 0.71674480749507
Energy: 0.7896828408920129
Energy: 0.7167448074984237
Energy: 0.7896828408978821
Energy: 0.71674480749507
Energy: 0.7760837355892704
Energy: 0.7986874474477988
Energy: 0.7760837355909473
Energy: 0.7986874474343836
Energy: 0.7760837355892704
Energy: 0.7986874474436065
Energy: 0.8153262868336371
Energy: 0.8390667379621252
Energy: 0.8153262868336371
Energy: 0.8390667379730252
Energy: 0.8153262868336371
Energy: 0.8390667379738636
Energy: 0.7450745565778003
Energy: 0.7886383182453479
Energy: 0.7450745565769619
Energy: 0.7886383182453479
Energy: 0.7450745565769619
Energy: 0.7886383182520557
Energy: 0.8443537996389907
Energy: 0.7762829218946828
Energy: 0.8443537996406676
Energy: 0.7762829218938445
Energy: 0.8443537996440215
Energy: 0.7762829218879753
Energy: 0.8794207471512601
Energy: 0.8237864072953826
Energy: 0.8794207471546139
Energy: 0.8237864072970595
Energy: 0.8794207471512601
Energy: 0.8237864072945441
Energy: 0.7843082104244931
Energy: 0.8001371050238886
Energy: 0.7843082104144317
Energy: 0.8001371050230499
Energy: 0.7843082104228161
Energy: 0.8001371050230499
Energy: 0.7771908163617263
Energy: 0.7866929707641156
Energy: 0.7771908163533416
Energy: 0.7866929707616002
Energy: 0.777190816392749
Energy: 0.7866929707691462
Energy: 0.729382151351823
Energy: 0.75557432348912
Energy: 0.7293821395382355
Energy: 0.7555743235217434
Energy: 0.7293820964683807
Energy: 0.7555743235200665
Energy: 0.7685404761309259
Energy: 0.7744577165943815
Energy: 0.7685404761317645
Energy: 0.7744577165885123
Energy: 0.768540476129249
Energy: 0.7744577166077966
Energy: 0.7452564827276439
Energy: 0.9131936978897328
Energy: 0.7452564827301592
Energy: 0.9131936978964403
Energy: 0.7452564827318361
Energy: 0.9131936978981172
Energy: 0.8105213197889332
Energy: 0.7794730757766304
Energy: 0.8105213197914486
Energy: 0.7794730757766304
Energy: 0.8105213197872562
Energy: 0.779473075775792
Energy: 0.8795232005069035
Energy: 0.8610986095725986
Energy: 0.8795232005077418
Energy: 0.8610986095759525
Energy: 0.8795232005102571
Energy: 0.8610986095759525

minimum gb energy = 0.71674480749507 eV
minimum distance =  2.24254231892342 Angstroms
sigma value = 33


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

Energy: 0.7878460413979832
Energy: 0.7890738075862566
Energy: 0.7816722043825053
Energy: 0.7890738075862566
Energy: 0.7878460413975062
Energy: 0.7890738075876873
Energy: 0.7839934109809829
Energy: 0.7168376022242052
Energy: 0.7839934109905211
Energy: 0.7168376022280205
Energy: 0.7839934109919519
Energy: 0.7168376022246822
Energy: 0.8015326556470157
Energy: 0.7535380827741359
Energy: 0.8015326556465387
Energy: 0.7535380827727051
Energy: 0.8015326556446312
Energy: 0.7535380827693667
Energy: 0.6710614242967498
Energy: 0.802985985642295
Energy: 0.6710614242924576
Energy: 0.8029859856432489
Energy: 0.6710614242962728
Energy: 0.8029859856484949
Energy: 0.7331577861751811
Energy: 0.7803813003192799
Energy: 0.7331577861851962
Energy: 0.7803813003183261
Energy: 0.7331577861799503
Energy: 0.7803813003083109
Energy: 0.7801388626338561
Energy: 0.48469741650489745
Energy: 0.7801388626367176
Energy: 0.484697416512528
Energy: 0.780138862634333
Energy: 0.4846974165201586
Energy: 0.7720474216302895
Energy: 0.7429646760097361
Energy: 0.772047421622182
Energy: 0.742964676010213
Energy: 0.772047421633151
Energy: 0.7429646760173666
Energy: 0.824938239476035
Energy: 0.789926179141932
Energy: 0.8249382394774657
Energy: 0.7899261791395475
Energy: 0.8249382394784194
Energy: 0.7899261791405012
Energy: 0.7357425847329865
Energy: 0.7376622866277507
Energy: 0.735742584730602
Energy: 0.737662286626797
Energy: 0.7357425847358479
Energy: 0.7376622866344275
Energy: 0.8637634676139583
Energy: 0.6948609502820028
Energy: 0.8598363708988116
Energy: 0.6948609502815258
Energy: 0.863763467615866
Energy: 0.6948609502705569
Energy: 0.652076375968784
Energy: 0.8660662056854996
Energy: 0.6520763759730762
Energy: 0.8660662056831151
Energy: 0.6520763759702147
Energy: 0.8660662056769154
Energy: 0.749443622893648
Energy: 0.8034980582340688
Energy: 0.7496435341468588
Energy: 0.8034980582374073
Energy: 0.7494436228888789
Energy: 0.8034980582378841
Energy: 0.7685730724138667
Energy: 0.8320475273372753
Energy: 0.7685730724110053
Energy: 0.8320475273372753
Energy: 0.7685730724191127
Energy: 0.832047527344906
Energy: 0.7557195806101649
Energy: 0.7658666986453333
Energy: 0.7557195806125494
Energy: 0.7658666986453333
Energy: 0.755719580603965
Energy: 0.7658666986505792
Energy: 0.7637647154408266
Energy: 0.7645883512752328
Energy: 0.7637647154446419
Energy: 0.7645883512780943
Energy: 0.763764715443688
Energy: 0.7645883512842508
Energy: 0.8108382080734318
Energy: 0.7556741821434901
Energy: 0.8108382080796316
Energy: 0.7556741821444439
Energy: 0.8108382080753394
Energy: 0.755674182138721
Energy: 0.8121719693146343
Energy: 0.7896252442286423
Energy: 0.8121719693065268
Energy: 0.7896252442300731
Energy: 0.8121719693141575
Energy: 0.7896252442210118
Energy: 0.7573602317882286
Energy: 0.5183980721010653
Energy: 0.7573602317825059
Energy: 0.5183980721053574
Energy: 0.7573602317825059
Energy: 0.5183980720133572
Energy: 0.779349335015254
Energy: 0.7730324986622862
Energy: 0.779349335015731
Energy: 0.7730324984945008
Energy: 0.7793493350243154
Energy: 0.7730324980950238
Energy: 0.7670597961645228
Energy: 0.7809381495723655
Energy: 0.7670597961702457
Energy: 0.7809381495718887
Energy: 0.7670597961654767
Energy: 0.78093814957475
Energy: 0.8225834047450065
Energy: 0.7954592946367276
Energy: 0.8225834047402807
Energy: 0.7954592946271893
Energy: 0.822583404746914
Energy: 0.7954592946352969
Energy: 0.7167443823675315
Energy: 0.7708582828774264
Energy: 0.7167438270530833
Energy: 0.7708582828764726
Energy: 0.7167422148412402
Energy: 0.770858282874088
Energy: 0.8651908714813453
Energy: 0.697222391179279
Energy: 0.8651830281591268
Energy: 0.6972223911659254
Energy: 0.8651908714808685
Energy: 0.6972223911659254
Energy: 0.6510613901009243
Energy: 0.7727696608642293
Energy: 0.6510613900999704
Energy: 0.7727696608642293
Energy: 0.651061390101878
Energy: 0.7727696608608908
Energy: 0.7908010115547733
Energy: 0.7327204196704618
Energy: 0.7620420144468562
Energy: 0.7327204196709388
Energy: 0.7908010115542965
Energy: 0.7327204196757079
Energy: 0.7653777857473998
Energy: 0.7469754435937568
Energy: 0.7461157327762251
Energy: 0.746975443592803
Energy: 0.7653777857483536
Energy: 0.7469754435942336
Energy: 0.7647793052265186
Energy: 0.7527169113236266
Energy: 0.7450367428778052
Energy: 0.7527169113255343
Energy: 0.7647793052269956
Energy: 0.7527169113221959
Energy: 0.7670322425167685
Energy: 0.7576055402287392
Energy: 0.7670322425148609
Energy: 0.7576055402287392
Energy: 0.7670322425134302
Energy: 0.7576055402277855
Energy: 0.7115827260138016
Energy: 0.7704879877789192
Energy: 0.7115827260104632
Energy: 0.7704879877784423
Energy: 0.7115827260138016
Energy: 0.7704879877770116
Energy: 0.8668672398223068
Energy: 0.6786444788839429
Energy: 0.866867239820399
Energy: 0.6786444788844197
Energy: 0.8668672398223068
Energy: 0.6786444788796507
Energy: 0.763814446739939
Energy: 0.5161935320018696
Energy: 0.7638143759812899
Energy: 0.5161935319436867
Energy: 0.7638142687852703
Energy: 0.516193531968486
Energy: 0.8321612469541194
Energy: 0.7689945758367898
Energy: 0.8321612469522118
Energy: 0.7689945758377434
Energy: 0.8321612469560271
Energy: 0.7689945758372666
Energy: 0.7647060564043632
Energy: 0.7805389706476513
Energy: 0.7647060564019786
Energy: 0.7805389706471743
Energy: 0.764706056405317
Energy: 0.7805389706462205
Energy: 0.7644914641496344
Energy: 0.7771936394729346
Energy: 0.7644914641586956
Energy: 0.777193639460535
Energy: 0.7644914641510651
Energy: 0.7771936394581503
Energy: 0.7546676663588234
Energy: 0.7846649658759373
Energy: 0.754667666361208
Energy: 0.7846649658778448
Energy: 0.7546676663588234
Energy: 0.7846649658664424
Energy: 0.8030302823056333
Energy: 0.7987503187148111
Energy: 0.8030302822975259
Energy: 0.7987503187148111
Energy: 0.8030302823042027
Energy: 0.7987503187138572
Energy: 0.8222861602056127
Energy: 0.7519673730040705
Energy: 0.8253957002740856
Energy: 0.7519673730002551
Energy: 0.822286160204182
Energy: 0.7519673729964398
Energy: 0.7433308745903834
Energy: 0.7750830977799319
Energy: 0.7433308745946757
Energy: 0.7750830977789781
Energy: 0.7433308745913373
Energy: 0.7750830977775474
Energy: 0.760053738936496
Energy: 0.7683152627634648
Energy: 0.7600537389374498
Energy: 0.7683152627596496
Energy: 0.7600537389360191
Energy: 0.768315262762511
Energy: 0.7855628509926678
Energy: 0.8228735250767505
Energy: 0.7855628509931446
Energy: 0.8228735250767505
Energy: 0.7855628509531275
Energy: 0.8228735250648278
Energy: 0.7307040583013965
Energy: 0.826732598042664
Energy: 0.7307040583009198
Energy: 0.8267325980383717
Energy: 0.7307040582999659
Energy: 0.8267325980436178

minimum gb energy = 0.48469741650489745 eV
minimum distance =  2.27207186060876 Angstroms
sigma value = 51


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

Energy: 0.8343726536221525
Energy: 0.7615520050443667
Energy: 0.8343726536243625
Energy: 0.7615520050355268
Energy: 0.8343726536221525
Energy: 0.7615520050388418
Energy: 0.8103479520340168
Energy: 0.8084079430888088
Energy: 0.8103479520340168
Energy: 0.8084079430888088
Energy: 0.8103479520351218
Energy: 0.8084079430888088
Energy: 0.7815032560759799
Energy: 0.7789777822258656
Energy: 0.7815032560759799
Energy: 0.7789777822258656
Energy: 0.7815032560737699
Energy: 0.7789777822247606
Energy: 0.8327772207032108
Energy: 0.7952183332016806
Energy: 0.8327772207043158
Energy: 0.7952183332005754
Energy: 0.8327772207010007
Energy: 0.7952183332038906
Energy: 0.7761023377038158
Energy: 0.7348492324913771
Energy: 0.7761023377038158
Energy: 0.7348492324880621
Energy: 0.7761023377038158
Energy: 0.7348492324880621
Energy: 0.7916633492342309
Energy: 0.75022093088767
Energy: 0.7916633492264958
Energy: 0.7502209308865649
Energy: 0.7916633492231808
Energy: 0.7502209308854599
Energy: 0.8188838506165086
Energy: 0.7690962540996655
Energy: 0.8188838506142986
Energy: 0.7690962540996655
Energy: 0.8188838506187185
Energy: 0.7690962540996655
Energy: 0.7595734701201217
Energy: 0.7353279172004357
Energy: 0.7595734701212267
Energy: 0.7353279171971208
Energy: 0.7595734701190167
Energy: 0.7353279171938057
Energy: 0.7098533439099859
Energy: 0.8223375471013739
Energy: 0.7098533439166158
Energy: 0.8223375471002689
Energy: 0.7098533439077759
Energy: 0.8223375471002689
Energy: 0.7589363434992066
Energy: 0.8041409493076986
Energy: 0.7589363435014166
Energy: 0.8041409493099085
Energy: 0.7589363435014166
Energy: 0.8041409493099085
Energy: 0.7882361724664338
Energy: 0.8535027608260634
Energy: 0.7882361724598038
Energy: 0.8535027608282734
Energy: 0.7882361724620138
Energy: 0.8535027608249585
Energy: 0.8001576028428304
Energy: 0.7783153443564982
Energy: 0.8001576028417255
Energy: 0.7783153443564982
Energy: 0.8001576028439356
Energy: 0.7783153443564982
Energy: 0.7975219959278608
Energy: 0.812566557560975
Energy: 0.7975219959278608
Energy: 0.812566557563185
Energy: 0.7975219959267558
Energy: 0.812566557560975
Energy: 0.7815025548287682
Energy: 0.707704750249995
Energy: 0.7815025548276633
Energy: 0.707704750252205
Energy: 0.7815025548243483
Energy: 0.707704750247785
Energy: 0.8292779995238977
Energy: 0.8484938478476562
Energy: 0.8292779995238977
Energy: 0.8484938478476562
Energy: 0.8292779995250027
Energy: 0.8484938478476562
Energy: 0.7549826459132993
Energy: 0.7245509730800584
Energy: 0.7549826459132993
Energy: 0.7245509730822683
Energy: 0.7549826459110893
Energy: 0.7245509730822683
Energy: 0.7929585806140275
Energy: 0.8043881590949475
Energy: 0.7929585806184475
Energy: 0.8043881590949475
Energy: 0.7929585806206575
Energy: 0.8043881590949475
Energy: 0.8109794398682719
Energy: 0.7738487739778502
Energy: 0.8109794398704818
Energy: 0.7738487739789551
Energy: 0.8109794398660619
Energy: 0.7738487739811651

minimum gb energy = 0.707704750247785 eV
minimum distance =  2.2038572761511 Angstroms
sigma value = 19


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

Energy: 0.6093494495996191
Energy: 0.8628762752111927
Energy: 0.6093494496100765
Energy: 0.8628762752111927
Energy: 0.6093494496002746
Energy: 0.8628762752098819
Energy: 0.7253155506839786
Energy: 0.6918389415426868
Energy: 0.7253155506879112
Energy: 0.6918389415420313
Energy: 0.7253155506879112
Energy: 0.6918389415426868
Energy: 0.8534780765629597
Energy: 0.7115435721186656
Energy: 0.8534780765636152
Energy: 0.7115435721193211
Energy: 0.8534780765636152
Energy: 0.7115435721193211
Energy: 0.6884943924521084
Energy: 0.8434309402917616
Energy: 0.6884943924521084
Energy: 0.8434309402911061
Energy: 0.6884943924521084
Energy: 0.8434309402930725
Energy: 0.697057917480667
Energy: 0.6625998925340171
Energy: 0.6970579174832888
Energy: 0.6625998925294586
Energy: 0.6970579174930908
Energy: 0.6625998925288032
Energy: 0.6972792600825842
Energy: 0.6617295236353841
Energy: 0.6972792600812733
Energy: 0.6617295236406278
Energy: 0.6972792600806179
Energy: 0.6617295236393168
Energy: 0.6884694680078596
Energy: 0.8433339829461853
Energy: 0.6884694680072041
Energy: 0.8433339829448745
Energy: 0.6884694680065486
Energy: 0.8433339829422527
Energy: 0.8532321727380042
Energy: 0.7114212551469208
Energy: 0.8532321727380042
Energy: 0.7114212551462653
Energy: 0.8532321727373489
Energy: 0.7114212551469208
Energy: 0.7249719515768531
Energy: 0.6918580939348615
Energy: 0.7249719515696431
Energy: 0.6918580939368278
Energy: 0.7249719515761978
Energy: 0.6918580939387942
Energy: 0.6093494495996191
Energy: 0.8628762752111927
Energy: 0.6093494496094212
Energy: 0.8628762752098819
Energy: 0.6093494496048627
Energy: 0.8628762752105373
Energy: 0.7253155506826676
Energy: 0.6918389415439976
Energy: 0.7253155506852894
Energy: 0.691838941540065
Energy: 0.7253155506748321
Energy: 0.6918389415407203
Energy: 0.8534780765616489
Energy: 0.7115435721193211
Energy: 0.8534780765616489
Energy: 0.7115435721193211
Energy: 0.8534780765636152
Energy: 0.7115435721193211
Energy: 0.6884943924521084
Energy: 0.8434309402911061
Energy: 0.6884943924514529
Energy: 0.8434309402924169
Energy: 0.6884943924527639
Energy: 0.8434309402930725
Energy: 0.6970579174780452
Energy: 0.6625998925340171
Energy: 0.6970579174878472
Energy: 0.6625998925294586
Energy: 0.6970579174911243
Energy: 0.6625998925294586
Energy: 0.6972792600838952
Energy: 0.6617295236373505
Energy: 0.6972792600845505
Energy: 0.6617295236399723
Energy: 0.6972792600825842
Energy: 0.6617295236406278
Energy: 0.688469468008515
Energy: 0.8433339829435635
Energy: 0.6884694680072041
Energy: 0.8433339829435635
Energy: 0.6884694680052378
Energy: 0.8433339829409418
Energy: 0.8532321727366934
Energy: 0.7114212551462653
Energy: 0.8532321727386597
Energy: 0.7114212551462653
Energy: 0.8532321727386597
Energy: 0.7114212551462653
Energy: 0.7249719515742313
Energy: 0.6918580939348615
Energy: 0.724971951572265
Energy: 0.6918580939348615
Energy: 0.7249719515702986
Energy: 0.6918580939368278
Energy: 0.6093494496022409
Energy: 0.8628762752098819
Energy: 0.6093494496028964
Energy: 0.8628762752098819
Energy: 0.6093494496048627
Energy: 0.8628762752105373
Energy: 0.7253155506892222
Energy: 0.6918389415446531
Energy: 0.7253155506859449
Energy: 0.6918389415433421
Energy: 0.7253155506852894
Energy: 0.6918389415453086
Energy: 0.8534780765629597
Energy: 0.7115435721186656
Energy: 0.8534780765623042
Energy: 0.7115435721193211
Energy: 0.8534780765636152
Energy: 0.7115435721199765
Energy: 0.6884943924521084
Energy: 0.8434309402897952
Energy: 0.6884943924514529
Energy: 0.8434309402911061
Energy: 0.6884943924507976
Energy: 0.843430940293728
Energy: 0.6970579174793562
Energy: 0.6625998925333616
Energy: 0.6970579174865362
Energy: 0.6625998925301141
Energy: 0.6970579174917798
Energy: 0.6625998925294586
Energy: 0.6972792600832397
Energy: 0.661729523636695
Energy: 0.6972792600825842
Energy: 0.6617295236406278
Energy: 0.6972792600832397
Energy: 0.6617295236393168
Energy: 0.688469468008515
Energy: 0.8433339829422527
Energy: 0.6884694680072041
Energy: 0.8433339829435635
Energy: 0.6884694680058933
Energy: 0.8433339829409418
Energy: 0.8532321727373489
Energy: 0.7114212551462653
Energy: 0.8532321727373489
Energy: 0.7114212551462653
Energy: 0.8532321727380042
Energy: 0.7114212551462653
Energy: 0.7249719515742313
Energy: 0.6918580939348615
Energy: 0.7249719515689876
Energy: 0.6918580939361724
Energy: 0.7249719515729205
Energy: 0.6918580939374832
Energy: 0.6093494495950311
Energy: 0.8628762752105373
Energy: 0.6093494496028964
Energy: 0.8628762752098819
Energy: 0.6093494496081102
Energy: 0.8628762752105373
Energy: 0.7253155506911885
Energy: 0.6918389415485858
Energy: 0.7253155506872557
Energy: 0.6918389415413758
Energy: 0.7253155506807311
Energy: 0.6918389415433421
Energy: 0.8534780765623042
Energy: 0.7115435721193211
Energy: 0.8534780765636152
Energy: 0.7115435721193211
Energy: 0.8534780765636152
Energy: 0.7115435721193211

minimum gb energy = 0.6093494495950311 eV
minimum distance =  2.27464835002857 Angstroms
sigma value = 27


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

Energy: 0.6948575980427332
Energy: 0.766678024138078
Energy: 0.6948575980443387
Energy: 0.7666780241364725
Energy: 0.6948575980427332
Energy: 0.766678024138078
Energy: 0.7937305635837758
Energy: 0.6325717658693122
Energy: 0.7937305635853813
Energy: 0.6325717658693122
Energy: 0.7937305635869869
Energy: 0.6325717658693122
Energy: 0.7362896172234634
Energy: 0.764522091941136
Energy: 0.7362896172218578
Energy: 0.7645220919427416
Energy: 0.7362896172234634
Energy: 0.7645220919427416
Energy: 0.7923283498988201
Energy: 0.6831964363064559
Energy: 0.7923283498988201
Energy: 0.6831964363064559
Energy: 0.7923283498972146
Energy: 0.6831964363128413
Energy: 0.7946724038216617
Energy: 0.7667493392694691
Energy: 0.7946724038168451
Energy: 0.7667493392710383
Energy: 0.7946724038184506
Energy: 0.7667493392710383
Energy: 0.7553911789694381
Energy: 0.7851909066284668
Energy: 0.7553911789710436
Energy: 0.7851909066252557
Energy: 0.7553911789726491
Energy: 0.7851909066268613
Energy: 0.7635834824624584
Energy: 0.6301629525785889
Energy: 0.7635834824656695
Energy: 0.6301629525785889
Energy: 0.7521927173826752
Energy: 0.6301629525753778
Energy: 0.7014970155684119
Energy: 0.691072033258157
Energy: 0.7014970152250137
Energy: 0.6910720318635831
Energy: 0.7014970145285112
Energy: 0.6910720296601933
Energy: 0.757021079237965
Energy: 0.7156482683230766
Energy: 0.757021079237965
Energy: 0.7156482684482705
Energy: 0.7570210792395705
Energy: 0.7156482683359207
Energy: 0.793245334251904
Energy: 0.7141077272018262
Energy: 0.793245334251904
Energy: 0.7141077272018262
Energy: 0.7932453342535096
Energy: 0.7141077272018262
Energy: 0.76466193457567
Energy: 0.6948829315918169
Energy: 0.7646619345708534
Energy: 0.6948829315918169
Energy: 0.7646619345708534
Energy: 0.6948829315934223
Energy: 0.7428022511520562
Energy: 0.6955935207192622
Energy: 0.7428022511520562
Energy: 0.6955935207240788
Energy: 0.7428022511520562
Energy: 0.6955935207272897

minimum gb energy = 0.6301629525753778 eV
minimum distance =  2.23313909648599 Angstroms
sigma value = 9


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

Energy: 0.703815502388273
Energy: 0.6043847138737162
Energy: 0.703815502388724
Energy: 0.6043847138741671
Energy: 0.7038155023900774
Energy: 0.6043847138732651
Energy: 0.7877158407078618
Energy: 0.6819972362688563
Energy: 0.787715840696625
Energy: 0.6695997885150029
Energy: 0.7877158406979373
Energy: 0.6695997885100406
Energy: 0.6756438562360498
Energy: 0.6860175228628087
Energy: 0.6756438562333432
Energy: 0.6860175228776955
Energy: 0.6756438562351477
Energy: 0.6860175228591999
Energy: 0.7197939277088482
Energy: 0.6835657033216813
Energy: 0.7197939276853904
Energy: 0.683565703332057
Energy: 0.7197939276817815
Energy: 0.6835657033352147
Energy: 0.7317481775582318
Energy: 0.6094128844593117
Energy: 0.7317481775609386
Energy: 0.6094128844624694
Energy: 0.731748177554172
Energy: 0.6094128844665295
Energy: 0.6706453775779329
Energy: 0.6534351265037547
Energy: 0.670645377578835
Energy: 0.665292344899137
Energy: 0.6706453775806395
Energy: 0.6652923448982349
Energy: 0.665098656589287
Energy: 0.6791375229389256
Energy: 0.6650986565942492
Energy: 0.6791375229398278
Energy: 0.6650986566001136
Energy: 0.6791375229344144
Energy: 0.7004618804406578
Energy: 0.6842488229992075
Energy: 0.7004618804456201
Energy: 0.6842488230046209
Energy: 0.7004618804429135
Energy: 0.6842488230028164
Energy: 0.6844354213111997
Energy: 0.6950302153141109
Energy: 0.6844354213111997
Energy: 0.6950302153127577
Energy: 0.6844354213143575
Energy: 0.6950302153141109
Energy: 0.6580141404199784
Energy: 0.8236742102178144
Energy: 0.6580141404168206
Energy: 0.8236742102196187
Energy: 0.6580141404172717
Energy: 0.8236742102096944
Energy: 0.712698567239777
Energy: 0.6778335829332511
Energy: 0.7126985672321081
Energy: 0.6778335829269765
Energy: 0.7126985672330104
Energy: 0.6778335829211122
Energy: 0.6280994884569093
Energy: 0.7312695323441974
Energy: 0.6276064303361933
Energy: 0.7312695323577307
Energy: 0.6032314370351236
Energy: 0.731269532342393
Energy: 0.6967697663863358
Energy: 0.6578036007669111
Energy: 0.696769766382727
Energy: 0.6578036007759334
Energy: 0.6967697663912982
Energy: 0.6578036007741289
Energy: 0.6845231031665632
Energy: 0.7621834889152491
Energy: 0.684523103165661
Energy: 0.7621834889138959
Energy: 0.6845231031674655
Energy: 0.7621834889048735
Energy: 0.6790959239201542
Energy: 0.691658927260645
Energy: 0.6790959239210563
Energy: 0.6916589272629006
Energy: 0.6790959239215075
Energy: 0.691658927264705
Energy: 0.7116106710440306
Energy: 0.6822488295336161
Energy: 0.7116106710449329
Energy: 0.6822488295349696
Energy: 0.7116106710431285
Energy: 0.6822488295358717
Energy: 0.695684630452836
Energy: 0.7492537532216684
Energy: 0.6956846304514827
Energy: 0.7492537532221195
Energy: 0.6956846304496782
Energy: 0.749253753220315
Energy: 0.6871130453461621
Energy: 0.6638617539830219
Energy: 0.6871130454070212
Energy: 0.6638617539771574
Energy: 0.6871130454092768
Energy: 0.663861753987533
Energy: 0.6980770566566455
Energy: 0.8239484725477759
Energy: 0.6980770566327367
Energy: 0.823948472539697
Energy: 0.6980770566327367
Energy: 0.8239484725392459
Energy: 0.8011942856606022
Energy: 0.6857187916519838
Energy: 0.8011942856646621
Energy: 0.6857187916524349
Energy: 0.8011942856669177
Energy: 0.6857187916537884
Energy: 0.6985147208264822
Energy: 0.8237620753616075
Energy: 0.698514720829189
Energy: 0.8237620753661187
Energy: 0.6985147208228734
Energy: 0.8237620753625098
Energy: 0.6872785118630773
Energy: 0.6639253357976482
Energy: 0.687278511910444
Energy: 0.6639253357994527
Energy: 0.6872785119036774
Energy: 0.6639253358075726
Energy: 0.6960536083431864
Energy: 0.7502185711105753
Energy: 0.6960536083409719
Energy: 0.7502185711105753
Energy: 0.6960536083342053
Energy: 0.7502185711096732
Energy: 0.7099989585673591
Energy: 0.7047436527239507
Energy: 0.7099989585696147
Energy: 0.704743652720793
Energy: 0.7099989585687124
Energy: 0.7047436527086129
Energy: 0.6791186285714391
Energy: 0.6911147449629399
Energy: 0.6791186285736948
Energy: 0.6911147449620377
Energy: 0.6791186285727925
Energy: 0.6911147449606844
Energy: 0.6845066498102279
Energy: 0.7621981216410297
Energy: 0.6845066498115813
Energy: 0.7621981216423831
Energy: 0.684506649810679
Energy: 0.762198121637421
Energy: 0.6393712957296854
Energy: 0.6581605242685562
Energy: 0.6393712957581056
Energy: 0.6581605242721239
Energy: 0.6393712957459257
Energy: 0.6581605242667516
Energy: 0.6279032083438587
Energy: 0.7268025437166945
Energy: 0.6035078280898083
Energy: 0.7267841586478165
Energy: 0.6035859591056767
Energy: 0.7267660840190912
Energy: 0.7125279509130268
Energy: 0.6820554747301852
Energy: 0.7125279509152823
Energy: 0.6820554747306363
Energy: 0.7125279509026512
Energy: 0.6820554747315386
Energy: 0.6579702585565863
Energy: 0.6738998037641033
Energy: 0.6579702585610976
Energy: 0.6738998037704189
Energy: 0.6579702585579398
Energy: 0.6738998037690656
Energy: 0.6768894087059731
Energy: 0.6949623055071317
Energy: 0.6768894087073264
Energy: 0.6949623055066805
Energy: 0.676889408697402
Energy: 0.6949623055075828
Energy: 0.700499506593335
Energy: 0.6842345338081335
Energy: 0.7004995065915307
Energy: 0.6842345338085846
Energy: 0.7004995065901773
Energy: 0.6842345338076823
Energy: 0.6649606873974498
Energy: 0.6791800085318038
Energy: 0.6649606873938411
Energy: 0.6791800085304505
Energy: 0.6649606874416588
Energy: 0.6791800085390216
Energy: 0.6706404848410797
Energy: 0.7119647132618586
Energy: 0.6706404848428841
Energy: 0.7119647132587008
Energy: 0.6706404848397264
Energy: 0.711964713254641
Energy: 0.7313637596939981
Energy: 0.6094409258523239
Energy: 0.7313637596926449
Energy: 0.6094409258536774
Energy: 0.7313637596926449
Energy: 0.6094409258514217
Energy: 0.7334217387341269
Energy: 0.687916700338437
Energy: 0.7334217387435592
Energy: 0.6879167003402414
Energy: 0.7334217387314201
Energy: 0.6879167003339258
Energy: 0.6758932915192599
Energy: 0.6577276709661205
Energy: 0.6758932915192599
Energy: 0.6577276709913827
Energy: 0.6758932915165533
Energy: 0.6577276709945405
Energy: 0.7946045726543457
Energy: 0.6793283914697268
Energy: 0.7946045726570524
Energy: 0.6793283914629601
Energy: 0.7946045726561501
Energy: 0.6793283914661179
Energy: 0.7038155023945475
Energy: 0.6043847138732651
Energy: 0.703815502392292
Energy: 0.6043847138714606
Energy: 0.703815502392743
Energy: 0.604384713872814
Energy: 0.7877158407137262
Energy: 0.6819972362611874
Energy: 0.7877158407024485
Energy: 0.6819972362589318
Energy: 0.787715840700644
Energy: 0.6819972362530673
Energy: 0.6756438562446209
Energy: 0.6860175228623576
Energy: 0.6756438562396587
Energy: 0.6860175228754399
Energy: 0.6756438562464253
Energy: 0.6860175228673199
Energy: 0.7197939276826838
Energy: 0.6835657033441959
Energy: 0.719793927688097
Energy: 0.683565703336527
Energy: 0.7197939277029837
Energy: 0.6835657033432937
Energy: 0.7317481775550743
Energy: 0.6094128844511918
Energy: 0.7317481775550743
Energy: 0.6094128844489362
Energy: 0.7317481775559764
Energy: 0.6094128844629206

minimum gb energy = 0.6032314370351236 eV
minimum distance =  2.25714462811776 Angstroms
sigma value = 57


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

Energy: 0.49646214975832115
Energy: 0.4629128546041034
Energy: 0.49646214975832115
Energy: 0.4629128546041034
Energy: 0.49646214975832115
Energy: 0.46291285460102266
Energy: 0.5310363466067134
Energy: 0.4328029984298579
Energy: 0.5310363466087672
Energy: 0.432802998428831
Energy: 0.5310363466067134
Energy: 0.432802998428831
Energy: 0.5941374079288178
Energy: 0.6082184028269216
Energy: 0.5941374079288178
Energy: 0.6082184028248677
Energy: 0.5941374079288178
Energy: 0.6082184028258947
Energy: 0.4042048921130439
Energy: 0.33114493227760433
Energy: 0.404204892112017
Energy: 0.33114493227657743
Energy: 0.4042048921130439
Energy: 0.33114493227657743
Energy: 0.6166498480299251
Energy: 0.5183738745397536
Energy: 0.6166498480288982
Energy: 0.5183738745387266
Energy: 0.6166498480299251
Energy: 0.5183738745367195
Energy: 0.3322743653186947
Energy: 0.5829950898658844
Energy: 0.3322743653186947
Energy: 0.5829950898669113
Energy: 0.3322743653186947
Energy: 0.5829950898689652
Energy: 0.3322384495831923
Energy: 0.47682684744558845
Energy: 0.3322384495831923
Energy: 0.47682684744558845
Energy: 0.3322384495831923
Energy: 0.47682684744558845
Energy: 0.6033221076777693
Energy: 0.6018530655743314
Energy: 0.6033221076777693
Energy: 0.6018530655743314
Energy: 0.6033221076777693
Energy: 0.6018530655743314
Energy: 0.4038058062612266
Energy: 0.331130650375764
Energy: 0.40380580625814594
Energy: 0.331130650375764
Energy: 0.40380580626944174
Energy: 0.33113065037473716
Energy: 0.47514243521100213
Energy: 0.6611877959796236
Energy: 0.475142435212029
Energy: 0.6611877959796236
Energy: 0.47514243521100213
Energy: 0.6611877959785968
Energy: 0.5401938641570323
Energy: 0.42890468522057373
Energy: 0.5401938641570323
Energy: 0.42890468522057373
Energy: 0.5401938641560055
Energy: 0.42890468521851993
Energy: 0.4964621497654627
Energy: 0.4629128546082109
Energy: 0.4964621497664896
Energy: 0.4629128546082109
Energy: 0.4964621497664896
Energy: 0.4629128546082109
Energy: 0.5310363466077402
Energy: 0.4328029984206159
Energy: 0.5310363466077402
Energy: 0.4328029984154815
Energy: 0.5310363466087672
Energy: 0.4328029984175353
Energy: 0.5941374079318983
Energy: 0.6082184028310291
Energy: 0.5941374079339522
Energy: 0.6082184028320561
Energy: 0.5941374079329252
Energy: 0.6082184028310291
Energy: 0.404204892112017
Energy: 0.3311449322734968
Energy: 0.4042048921130439
Energy: 0.3311449322734968
Energy: 0.4042048921130439
Energy: 0.3311449322734968
Energy: 0.6166498480299251
Energy: 0.5183738745397536
Energy: 0.6166498480299251
Energy: 0.5183738745376997
Energy: 0.616649848030952
Energy: 0.5183738745367195
Energy: 0.33227436531356025
Energy: 0.5829950898669113
Energy: 0.3322743653145871
Energy: 0.582995089869992
Energy: 0.33227436531253335
Energy: 0.5829950898679382
Energy: 0.3322384495760041
Energy: 0.4768268474486692
Energy: 0.3322384495760041
Energy: 0.4768268474476423
Energy: 0.3322384495760041
Energy: 0.4768268474476423
Energy: 0.6033221076849575
Energy: 0.6018530655784391
Energy: 0.6033221076829037
Energy: 0.6018530655784391
Energy: 0.6033221076839306
Energy: 0.6018530655784391

minimum gb energy = 0.33113065037473716 eV
minimum distance =  2.29363990528273 Angstroms
sigma value = 11


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

Energy: 0.5973546094538259
Energy: 0.5767026549148826
Energy: 0.5973546094538259
Energy: 0.5767026549156348
Energy: 0.5973546094545782
Energy: 0.5767026549148826
Energy: 0.635456566714149
Energy: 0.5922268928240054
Energy: 0.6354565667156534
Energy: 0.5922268928247577
Energy: 0.6354565667149012
Energy: 0.5922268928232534
Energy: 0.6846590780048383
Energy: 0.6593860201363231
Energy: 0.6846590780093514
Energy: 0.6593860201333142
Energy: 0.6797948282647629
Energy: 0.6593860201272964
Energy: 0.6852816242385333
Energy: 0.5628382752586151
Energy: 0.685281624237029
Energy: 0.5628382752556061
Energy: 0.685281624237029
Energy: 0.5628382752586151
Energy: 0.5921151558808293
Energy: 0.551636868709992
Energy: 0.592115155880077
Energy: 0.5516368687092398
Energy: 0.5921151558815814
Energy: 0.551636868709992
Energy: 0.6454867038359974
Energy: 0.6466039818776057
Energy: 0.6454867038359974
Energy: 0.6466039818791101
Energy: 0.6454867038322363
Energy: 0.6466039818798623
Energy: 0.5348156820376877
Energy: 0.6135097870319758
Energy: 0.53481568203844
Energy: 0.6135097870244537
Energy: 0.5348156820369355
Energy: 0.613509787028967
Energy: 0.6104953404154871
Energy: 0.5492799418574057
Energy: 0.6104953404154871
Energy: 0.5492799418581578
Energy: 0.6104953404192482
Energy: 0.5492799418574057
Energy: 0.608274134067938
Energy: 0.5477453082982658
Energy: 0.608274134067938
Energy: 0.5477453082982658
Energy: 0.6082741340664335
Energy: 0.5477453082982658
Energy: 0.530821010847951
Energy: 0.7240158387866928
Energy: 0.5308210108517121
Energy: 0.7240158387881972
Energy: 0.53082101084419
Energy: 0.7240158387889495
Energy: 0.6461129880379622
Energy: 0.715943167489885
Energy: 0.6461129880462366
Energy: 0.715943167489885
Energy: 0.6461129880447323
Energy: 0.715943167489885
Energy: 0.5808566154341769
Energy: 0.5525450910917232
Energy: 0.5808566154341769
Energy: 0.5525450910909712
Energy: 0.5808566154341769
Energy: 0.5525450910909712
Energy: 0.6128318547425373
Energy: 0.5627105848383112
Energy: 0.6128318547432896
Energy: 0.5627105848383112
Energy: 0.612831854744794
Energy: 0.5627105848383112
Energy: 0.6455217126084134
Energy: 0.7213444612784844
Energy: 0.6455217126076612
Energy: 0.7213444612806726
Energy: 0.6455217126076612
Energy: 0.7213444612784844
Energy: 0.6481644077624875
Energy: 0.6034835156963944
Energy: 0.6481644077639919
Energy: 0.60348351569489
Energy: 0.648164407764744
Energy: 0.6034835156941378
Energy: 0.5613686602543853
Energy: 0.5719933672837589
Energy: 0.5613686602581464
Energy: 0.5719933672860156
Energy: 0.5613686602543853
Energy: 0.5719933672860156
Energy: 0.5378336931507097
Energy: 0.6143238498289156
Energy: 0.5378336931470169
Energy: 0.6143238498289156
Energy: 0.5378336931432558
Energy: 0.6143238498334289
Energy: 0.7540287843445899
Energy: 0.7363963080439296
Energy: 0.7540287843438377
Energy: 0.7363963080439296
Energy: 0.7540287843453422
Energy: 0.7363963080439296
Energy: 0.6488954843877738
Energy: 0.5636122755330466
Energy: 0.6488954843855171
Energy: 0.5636122755300377
Energy: 0.6488954843885261
Energy: 0.5636122755292855
Energy: 0.5800923685512295
Energy: 0.5841893126429679
Energy: 0.5800923685504772
Energy: 0.5841893126429679
Energy: 0.5800923685527339
Energy: 0.5841893126422159
Energy: 0.5230805603178303
Energy: 0.6476320329856105
Energy: 0.5230805603185827
Energy: 0.6476320329908076
Energy: 0.5230805603185827
Energy: 0.6476320329893716
Energy: 0.57754297400059
Energy: 0.6344122956761826
Energy: 0.5775429739998377
Energy: 0.6344122956784394
Energy: 0.5775429739930678
Energy: 0.6344122956829527
Energy: 0.6452939756290073
Energy: 0.5686182309108849
Energy: 0.6452939756282551
Energy: 0.5686182309123894
Energy: 0.6452939756282551
Energy: 0.5686182309138937
Energy: 0.603133071054064
Energy: 0.5620481166601997
Energy: 0.6031330710578251
Energy: 0.5620481166594474
Energy: 0.6031330710548163
Energy: 0.5620481166601997
Energy: 0.5678940216343564
Energy: 0.7370674675628053
Energy: 0.5678940216336041
Energy: 0.7370674675605488
Energy: 0.5678940216336041
Energy: 0.7370674675643099
Energy: 0.6581544049972051
Energy: 0.6910423638918055
Energy: 0.6581544050017186
Energy: 0.6910423638918055
Energy: 0.6581544050039752
Energy: 0.6910423638903009

minimum gb energy = 0.5230805603178303 eV
minimum distance =  2.22689877573457 Angstroms
sigma value = 41


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

Energy: 0.5851878171205326
Energy: 0.5105764029121348
Energy: 0.5851878171211254
Energy: 0.5105764029103562
Energy: 0.5851878171217184
Energy: 0.5105764029109491
Energy: 0.6466727395140454
Energy: 0.6193923437114822
Energy: 0.6466727395116738
Energy: 0.6193923437114822
Energy: 0.6466727395110811
Energy: 0.6193923437114822
Energy: 0.7129489061435347
Energy: 0.8006080558175793
Energy: 0.7129489061435347
Energy: 0.8006080558181722
Energy: 0.7129489061447204
Energy: 0.8006080558163936
Energy: 0.5604092927713862
Energy: 0.5417012518184852
Energy: 0.560409292772572
Energy: 0.5417012518184852
Energy: 0.560409292771979
Energy: 0.541701251819078
Energy: 0.5584169062666042
Energy: 0.5656954795761208
Energy: 0.5584169062666042
Energy: 0.5656954795755278
Energy: 0.5584169062666042
Energy: 0.5656954795761208
Energy: 0.6514734413279597
Energy: 0.6877460817417538
Energy: 0.6514734413279597
Energy: 0.6877460817417538
Energy: 0.6514734413267739
Energy: 0.6877460817429396
Energy: 0.5441284537283609
Energy: 0.5659004186227704
Energy: 0.5441284537242109
Energy: 0.5659004186221774
Energy: 0.5441284537230251
Energy: 0.5659004186215846
Energy: 0.5746894818025318
Energy: 0.5210812672201974
Energy: 0.5746894818031245
Energy: 0.5210812672201974
Energy: 0.5746894818031245
Energy: 0.5210812672172329
Energy: 0.5239036188343772
Energy: 0.511382309319469
Energy: 0.5239036188320058
Energy: 0.5113823093188762
Energy: 0.5239036188331915
Energy: 0.511382309319469
Energy: 0.5335188504548767
Energy: 0.7289111189965548
Energy: 0.5335188504542838
Energy: 0.728911118995369
Energy: 0.5335188504542838
Energy: 0.7289111189965548
Energy: 0.5333858815170084
Energy: 0.7214448007907213
Energy: 0.5333858815176014
Energy: 0.7214448007895354
Energy: 0.53338588151938
Energy: 0.7214448007889427
Energy: 0.49181009991806457
Energy: 0.5849481047805803
Energy: 0.49181009991865754
Energy: 0.5849481047811732
Energy: 0.49181009991806457
Energy: 0.584948104777616
Energy: 0.5761413742752349
Energy: 0.5191454822797411
Energy: 0.5761413742758279
Energy: 0.5191454822797411
Energy: 0.5761413742758279
Energy: 0.5191454822797411
Energy: 0.5768841852156356
Energy: 0.639883793844189
Energy: 0.5768841852174142
Energy: 0.6398837938447818
Energy: 0.5768841852191928
Energy: 0.639883793844189
Energy: 0.6508354341095901
Energy: 0.6790794437585355
Energy: 0.6508354341113688
Energy: 0.6790794437603141
Energy: 0.6508354341095901
Energy: 0.6790794437591283
Energy: 0.5599128676627282
Energy: 0.5825980338217672
Energy: 0.5599128676668783
Energy: 0.5825980338217672
Energy: 0.5599128676656926
Energy: 0.5825980338217672
Energy: 0.5723680686664954
Energy: 0.5324931721774614
Energy: 0.5723680686659025
Energy: 0.5324931721774614
Energy: 0.5723680686659025
Energy: 0.5324931721774614
Energy: 0.6738600465002055
Energy: 0.8232478521834224
Energy: 0.6738600465007983
Energy: 0.8232478521828297
Energy: 0.6738600464990199
Energy: 0.8232478521840155
Energy: 0.6577914569623218
Energy: 0.6163752703518206
Energy: 0.6577914569623218
Energy: 0.6163752703524136
Energy: 0.6577914569658792
Energy: 0.6163752703512277
Energy: 0.5338462491024755
Energy: 0.6300680372798703
Energy: 0.533846249104847
Energy: 0.6300680372786844
Energy: 0.5338462491018825
Energy: 0.6300680372786844
Energy: 0.5605464985951627
Energy: 0.5970222455143149
Energy: 0.5605464985945698
Energy: 0.597022245513722
Energy: 0.5605464985945698
Energy: 0.5970222455149078
Energy: 0.5995338414824262
Energy: 0.7350721913434015
Energy: 0.5995338414847977
Energy: 0.7350721913416228
Energy: 0.599533841483612
Energy: 0.7350721913386584
Energy: 0.5929925904299047
Energy: 0.5018234029353751
Energy: 0.5929925904316834
Energy: 0.5018234029365607
Energy: 0.5929925904281262
Energy: 0.5018234029335964
Energy: 0.5600524443479914
Energy: 0.5592108888218255
Energy: 0.5600524443468057
Energy: 0.5592108888064107
Energy: 0.5600524443479914
Energy: 0.559210888824197
Energy: 0.5770324609513842
Energy: 0.6867311318021193
Energy: 0.577032460951977
Energy: 0.6867311318009335
Energy: 0.5770324609537557
Energy: 0.6867311318021193
Energy: 0.5107721098828683
Energy: 0.5663118968761941
Energy: 0.510772109879904
Energy: 0.5663118968767871
Energy: 0.5107721098769394
Energy: 0.5663118968773798
Energy: 0.5861391217018685
Energy: 0.5023408014629633
Energy: 0.586139121704833
Energy: 0.5023408014611848
Energy: 0.58613912170424
Energy: 0.5023408014629633
Energy: 0.5512868383780866
Energy: 0.5979570190182034
Energy: 0.5512868383786794
Energy: 0.5979570190182034
Energy: 0.5512868383786794
Energy: 0.5979570190187962
Energy: 0.534099993244794
Energy: 0.736098480153851
Energy: 0.5340999932442011
Energy: 0.7360984801544439
Energy: 0.5340999932453868
Energy: 0.7360984801544439
Energy: 0.6442844173375671
Energy: 0.5666522255951292
Energy: 0.6442844173340098
Energy: 0.5666522255975007
Energy: 0.6442844173357883
Energy: 0.5666522255933505
Energy: 0.558641465929071
Energy: 0.6709154503825471
Energy: 0.5586414659302568
Energy: 0.6709154503837329
Energy: 0.558641465929071
Energy: 0.6709154503837329
Energy: 0.5744975649567727
Energy: 0.5549139231844302
Energy: 0.574497564941358
Energy: 0.5549139231844302
Energy: 0.57449756496033
Energy: 0.5549139231850231
Energy: 0.5766926359144829
Energy: 0.5650045098105183
Energy: 0.5766926359156688
Energy: 0.565004509811704
Energy: 0.5766926359150759
Energy: 0.5650045098099253

minimum gb energy = 0.49181009991806457 eV
minimum distance =  2.26120875254976 Angstroms
sigma value = 33


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

Energy: 0.5565323555589198
Energy: 0.5295048277946678
Energy: 0.5565323555597519
Energy: 0.5295048277933817
Energy: 0.5565323555568015
Energy: 0.5295048277930033
Energy: 0.6021915278307417
Energy: 0.6127405312364632
Energy: 0.6021915278299095
Energy: 0.6127405312372953
Energy: 0.6021915278302877
Energy: 0.6127405312381274
Energy: 0.7090485739529032
Energy: 0.6723242209619773
Energy: 0.709048573952525
Energy: 0.6723242209536555
Energy: 0.7090485739545674
Energy: 0.6723242209582704
Energy: 0.5664007630070022
Energy: 0.5291360991569823
Energy: 0.5664007629895266
Energy: 0.5291360991548641
Energy: 0.5664007629940657
Energy: 0.5291360991561501
Energy: 0.5201811231323887
Energy: 0.5963131041799444
Energy: 0.5201811231332208
Energy: 0.5963131041795661
Energy: 0.5201811231340532
Energy: 0.5963131041828948
Energy: 0.6545780271942767
Energy: 0.4954009048752255
Energy: 0.6545780271901158
Energy: 0.495400904874015
Energy: 0.6545780271938985
Energy: 0.49540090487356103
Energy: 0.5858074074674255
Energy: 0.5883334139917828
Energy: 0.5858074074665933
Energy: 0.588333414024162
Energy: 0.5858074074632647
Energy: 0.5883334140042654
Energy: 0.5870142331042401
Energy: 0.6056630129386465
Energy: 0.5870142331062826
Energy: 0.6056630129382682
Energy: 0.5870142331046183
Energy: 0.6056630129482544
Energy: 0.5922044280920365
Energy: 0.5105253452287987
Energy: 0.5922044280912044
Energy: 0.5105253452279666
Energy: 0.5922044280949114
Energy: 0.5105253452292526
Energy: 0.6731575900681038
Energy: 0.5954386178693588
Energy: 0.6731575900714325
Energy: 0.5954386178705693
Energy: 0.6731575900676499
Energy: 0.5954386178701911
Energy: 0.5494369068788405
Energy: 0.5496737567826092
Energy: 0.5494369068833796
Energy: 0.5496737567975882
Energy: 0.5494369068838337
Energy: 0.5496737567963023
Energy: 0.692516845331152
Energy: 0.529224903026276
Energy: 0.6925168453298658
Energy: 0.5292249030275621
Energy: 0.6925168453315302
Energy: 0.5292249030275621
Energy: 0.5047100388903448
Energy: 0.5965050222149015
Energy: 0.5047100388940517
Energy: 0.5965050222140693
Energy: 0.5047100388936735
Energy: 0.596505022213691
Energy: 0.6136506038444007
Energy: 0.5928703667180488
Energy: 0.6136506038394077
Energy: 0.5928703667085167
Energy: 0.6136506038410722
Energy: 0.5928703667097271
Energy: 0.5102149506002702
Energy: 0.5844631210617672
Energy: 0.5102149505982276
Energy: 0.5844631210576064
Energy: 0.5102149505952772
Energy: 0.5844631210514029
Energy: 0.49614515151821514
Energy: 0.586681547280943
Energy: 0.4961451515161725
Energy: 0.5866815472829856
Energy: 0.49614515151987953
Energy: 0.5866815472676282
Energy: 0.6007478922629982
Energy: 0.5228657783696246
Energy: 0.6007478922646625
Energy: 0.5228657783684141
Energy: 0.6007478922609556
Energy: 0.5228657783684141
Energy: 0.5302892386110711
Energy: 0.4877358738664514
Energy: 0.5302892386143998
Energy: 0.4877358738635766
Energy: 0.5302892386139458
Energy: 0.4877358738635766
Energy: 0.679316978742205
Energy: 0.7081635744833689
Energy: 0.6793169787438693
Energy: 0.7081635744812506
Energy: 0.6793169787455337
Energy: 0.7081635744808724
Energy: 0.6090334113255926
Energy: 0.54466666441406
Energy: 0.6090334113289212
Energy: 0.5446666644248783
Energy: 0.6090334113277108
Energy: 0.5446666644203392
Energy: 0.5332668382333025
Energy: 0.5322439163977725
Energy: 0.5332668382333025
Energy: 0.5322439163989829
Energy: 0.5332668382354206
Energy: 0.532243916399815
Energy: 0.62381019479483
Energy: 0.5889156437919786
Energy: 0.6238101947936195
Energy: 0.5889156437919786
Energy: 0.6238101947956622
Energy: 0.5889156437919786
Energy: 0.6575320928442145
Energy: 0.617508290514256
Energy: 0.6575320928430041
Energy: 0.6175082905088849
Energy: 0.6575320928405076
Energy: 0.617508290514256
Energy: 0.5328504587497153
Energy: 0.6011127661569735
Energy: 0.5328504587526657
Energy: 0.6011127661553092
Energy: 0.5328504587480508
Energy: 0.6011127661565953
Energy: 0.6017810291548423
Energy: 0.5230983630956051
Energy: 0.6017810291543885
Energy: 0.5230983630935624
Energy: 0.6017810291535562
Energy: 0.5230983630947728
Energy: 0.49621581645701773
Energy: 0.660964533971656
Energy: 0.4962158164608004
Energy: 0.660964533976649
Energy: 0.496215816459136
Energy: 0.6609645339687813
Energy: 0.6296723700632469
Energy: 0.5862304226952784
Energy: 0.6296723700602964
Energy: 0.5862304226944463
Energy: 0.6296723700586321
Energy: 0.5862304226939924
Energy: 0.5156217418470789
Energy: 0.5349699309868443
Energy: 0.515621741838379
Energy: 0.5349699309856338
Energy: 0.5156217418375468
Energy: 0.5349699309872983
Energy: 0.5461766884583967
Energy: 0.5961796590982629
Energy: 0.5461766884638436
Energy: 0.5961796590994732
Energy: 0.5461766884725436
Energy: 0.5961796590999271
Energy: 0.592522978781156
Energy: 0.6737537893233537
Energy: 0.5925229787874351
Energy: 0.673753789323732
Energy: 0.592522978791142
Energy: 0.673753789323732
Energy: 0.46377725710120404
Energy: 0.5287476810722304
Energy: 0.46377725710702916
Energy: 0.5287476810718522
Energy: 0.46377725709999357
Energy: 0.52874768107102
Energy: 0.5336241017123591
Energy: 0.5794690105783278
Energy: 0.5336241017127373
Energy: 0.5794690105795383
Energy: 0.5336241017140234
Energy: 0.5794690105812027
Energy: 0.6082094563229692
Energy: 0.510211927860859
Energy: 0.6082094563238013
Energy: 0.510211927860859
Energy: 0.6082094563221371
Energy: 0.5102119278600267
Energy: 0.5656760065919668
Energy: 0.5104463612883591
Energy: 0.5656760065961277
Energy: 0.5104463612891911
Energy: 0.5656760065961277
Energy: 0.5104463612800373
Energy: 0.5657865568797511
Energy: 0.5105537538491434
Energy: 0.5657865568801292
Energy: 0.5105537538462686
Energy: 0.565786556887165
Energy: 0.5105537538466468
Energy: 0.6088431559172202
Energy: 0.5104992920548725
Energy: 0.6088431559184306
Energy: 0.5104992920544942
Energy: 0.6088431559184306
Energy: 0.5104992920544942
Energy: 0.5334384416516781
Energy: 0.5794215281364631
Energy: 0.5334384416496355
Energy: 0.5794215281302597
Energy: 0.5334384416475172
Energy: 0.5794215281464492
Energy: 0.4644367598575124
Energy: 0.5287857592321283
Energy: 0.46443675986371596
Energy: 0.5287857592309179
Energy: 0.46443675985955507
Energy: 0.5287857592309179
Energy: 0.5925430013788948
Energy: 0.6739274218643979
Energy: 0.5925430013793488
Energy: 0.673927421863944
Energy: 0.5925430013772305
Energy: 0.6739274218631118
Energy: 0.5462529072179712
Energy: 0.5962181530706502
Energy: 0.5462529072134321
Energy: 0.5962181530698181
Energy: 0.546252907217593
Energy: 0.5962181530701963
Energy: 0.515757419509405
Energy: 0.5269446607374498
Energy: 0.5157574195115232
Energy: 0.5269446607387359
Energy: 0.5157574195119016
Energy: 0.5269446607391142
Energy: 0.6288452560979221
Energy: 0.586183755682863
Energy: 0.6288452560962577
Energy: 0.586183755682863
Energy: 0.6288452560958039
Energy: 0.5861837556836951
Energy: 0.4962121103787234
Energy: 0.6609802942937735
Energy: 0.4962121103787234
Energy: 0.6609802942929414
Energy: 0.4962121103750165
Energy: 0.6609802942929414
Energy: 0.6012186413216802
Energy: 0.5228096010743682
Energy: 0.6012186413216802
Energy: 0.5228096010714935
Energy: 0.6012186413228905
Energy: 0.5228096010723255
Energy: 0.5390318485560304
Energy: 0.6011843690432265
Energy: 0.5390318485564843
Energy: 0.6011843690386872
Energy: 0.5390318485551981
Energy: 0.6011843690195472
Energy: 0.6568061935917341
Energy: 0.6170798884631443
Energy: 0.6568061935676011
Energy: 0.6170798884644304
Energy: 0.6568061935834124
Energy: 0.6170798884635982
Energy: 0.6238613372896018
Energy: 0.5891256791501226
Energy: 0.6238613372904339
Energy: 0.5891256791696409
Energy: 0.6238613372899801
Energy: 0.5891256791584444

minimum gb energy = 0.46377725709999357 eV
minimum distance =  2.27519468541268 Angstroms
sigma value = 67


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

Energy: 0.2653873773607794
Energy: 0.3624156088308731
Energy: 0.2653873773607794
Energy: 0.3624156088305887
Energy: 0.265387377360495
Energy: 0.36241560883115753
Energy: 0.26705401074624135
Energy: 0.3614592107187387
Energy: 0.26705401074513535
Energy: 0.36145921072957765
Energy: 0.2670540107465258
Energy: 0.3614592107298621
Energy: 0.9848475913611938
Energy: 0.5917368651937525
Energy: 1.0487203022751164
Energy: 0.5917368651951429
Energy: 0.8566394561342345
Energy: 0.5917368651929309
Energy: 0.267183731044899
Energy: 0.361329933588541
Energy: 0.267183731044899
Energy: 0.3613299335893626
Energy: 0.2671837310454362
Energy: 0.3613299335891098
Energy: 0.2653873773607794
Energy: 0.3624156088305887
Energy: 0.26538737736216983
Energy: 0.3624156088316947
Energy: 0.26538737736131657
Energy: 0.3624156088308731
Energy: 0.2670540107470946
Energy: 0.36145921072708126
Energy: 0.26705401074624135
Energy: 0.3614592107287561
Energy: 0.2670540107470946
Energy: 0.3614592107262596
Energy: 0.9848475913617311
Energy: 0.5917368651946058
Energy: 1.0487203022753688
Energy: 0.5917368651943213
Energy: 0.7566631157336328
Energy: 0.5917368651932153

minimum gb energy = 0.265387377360495 eV
minimum distance =  2.32098042907283 Angstroms
sigma value = 3


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

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Energy: 0.45937246229673273
Energy: 0.6589906698324429
Energy: 0.45937246229673273
Energy: 0.6589906698400113
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Energy: 0.5182643269602237
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Energy: 0.5751843163213612
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Energy: 0.5751843163175769
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Energy: 0.5443794138233122
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Energy: 0.5342751178288785
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Energy: 0.5342751178326627
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Energy: 0.5354101266976842
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Energy: 0.5804188964741576
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Energy: 0.5328831252355949
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Energy: 0.6236146713580585
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Energy: 0.6006171593856118
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Energy: 0.5561608908478325
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Energy: 0.504924435026866
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Energy: 0.49491652351365273
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Energy: 0.5192425844153571
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Energy: 0.49336837941449585
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Energy: 0.5585034079253614
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Energy: 0.5574316419661658
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Energy: 0.5125262280046596
Energy: 0.6406761898014451
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Energy: 0.6406761898014451
Energy: 0.5575641794972682
Energy: 0.5718013841394795
Energy: 0.5575641795010524
Energy: 0.5718013841394795
Energy: 0.5575641795010524
Energy: 0.5718013841356953
Energy: 0.6101774749986482
Energy: 0.5400044497628128
Energy: 0.6101774749986482
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Energy: 0.6101774750024324
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Energy: 0.5825749973536614
Energy: 0.6297561828998343
Energy: 0.582574997349877
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Energy: 0.582574997349877
Energy: 0.6297561828998343
Energy: 0.5284740233182152
Energy: 0.5714276080814572
Energy: 0.5284740233182152
Energy: 0.5714276080814572
Energy: 0.5284740233144309
Energy: 0.5714276080814572
Energy: 0.6398213333846039
Energy: 0.4924743533698591
Energy: 0.6398213333808197
Energy: 0.4924743533698591
Energy: 0.6398213333846039
Energy: 0.4924743533736433
Energy: 0.623741939629386
Energy: 0.5536205682481637
Energy: 0.623741939629386
Energy: 0.5536205682481637
Energy: 0.623741939629386
Energy: 0.5536205682481637
Energy: 0.5742407581448417
Energy: 0.608217592310837
Energy: 0.5742407581448417
Energy: 0.6082175922919159
Energy: 0.5742407581448417
Energy: 0.6082175923032686
Energy: 0.5205608830464099
Energy: 0.5700378115904862
Energy: 0.5205608830464099
Energy: 0.5700378115904862
Energy: 0.5205608830501942
Energy: 0.5700378115904862
Energy: 0.5579288940320596
Energy: 0.606278582017855
Energy: 0.5579288940320596
Energy: 0.606278582017855
Energy: 0.5579288940320596
Energy: 0.606278582017855
Energy: 0.603906831094702
Energy: 0.6017964353398981
Energy: 0.6039068310909177
Energy: 0.6017964353436824
Energy: 0.603906831094702
Energy: 0.6017964353436824
Energy: 0.5196200488586205
Energy: 0.6059844406867021
Energy: 0.5196200488624048
Energy: 0.6059844406829178
Energy: 0.5196200488586205
Energy: 0.6059844406867021

minimum gb energy = 0.45937246229673273 eV
minimum distance =  2.2597190013109 Angstroms
sigma value = 81


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

Energy: 0.6005530657413971
Energy: 0.48579953384199764
Energy: 0.5703610551684081
Energy: 0.48579953384251706
Energy: 0.6005530657445134
Energy: 0.48579953383368757
Energy: 0.4531663683614206
Energy: 0.5051137957661512
Energy: 0.4531663683572655
Energy: 0.5051137957645931
Energy: 0.4531663683619399
Energy: 0.5051137957692676
Energy: 0.6280068430831773
Energy: 0.5501049255924625
Energy: 0.6294184313692063
Energy: 0.5501049255919431
Energy: 0.628006843082658
Energy: 0.5501049255914237
Energy: 0.43291603100875803
Energy: 0.545783026380803
Energy: 0.4329160310097968
Energy: 0.545783026380803
Energy: 0.43291603100771925
Energy: 0.5457830263792448
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Energy: 0.4774841033566428
Energy: 0.4859702341802912
Energy: 0.47748410335923974
Energy: 0.4859702341776944
Energy: 0.4774841033587204
Energy: 0.47225842440171034
Energy: 0.4876141572196987
Energy: 0.47225842440222976
Energy: 0.4876141572129468
Energy: 0.47225842440222976
Energy: 0.4876141572020397
Energy: 0.5856305739387685
Energy: 0.5287466107770817
Energy: 0.6033089613423538
Energy: 0.5287466107781205
Energy: 0.5856305739366909
Energy: 0.528746610776043
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Energy: 0.6798386624753276
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Energy: 0.6798386624748081
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Energy: 0.5319300317877064
Energy: 0.5699087929778952
Energy: 0.5319300317871868
Energy: 0.569874087800355
Energy: 0.5319300317840706
Energy: 0.45444735473554143
Energy: 0.5009737552747945
Energy: 0.45444735473606085
Energy: 0.5009737552742751
Energy: 0.4544473547365802
Energy: 0.5009737552721976
Energy: 0.5230138683987546
Energy: 0.5280432580833841
Energy: 0.5230138684049872
Energy: 0.5280432580849423
Energy: 0.5230138683977159
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Energy: 0.5943289420029261
Energy: 0.5921084501544132
Energy: 0.5943289420039648
Energy: 0.5921084501549325
Energy: 0.5943289420034454
Energy: 0.5921084501528551
Energy: 0.49998553047615707
Energy: 0.4364248424839126
Energy: 0.4999855304782345
Energy: 0.436424842484432
Energy: 0.4999855304766764
Energy: 0.4364248424787188
Energy: 0.5262482508262057
Energy: 0.5750494683316647
Energy: 0.5262482508199731
Energy: 0.5750494683311455
Energy: 0.5262482508256863
Energy: 0.5750494683337422
Energy: 0.6428942220652937
Energy: 0.5506105825446337
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Energy: 0.5049183898165478
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Energy: 0.5608648301754168
Energy: 0.602055014503455
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Energy: 0.6020550145018969
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Energy: 0.5107874265128106
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Energy: 0.5107874265154075
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Energy: 0.5903313071842721
Energy: 0.540486786737701
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Energy: 0.5895517151626466
Energy: 0.5903313071749232
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Energy: 0.6048575422883359
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Energy: 0.5884971818502895
Energy: 0.6819746287142991
Energy: 0.5884971818482119
Energy: 0.6819746287153379
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Energy: 0.6819746287163766
Energy: 0.6543620297628177
Energy: 0.4983068916896424
Energy: 0.654362029765934
Energy: 0.49830689168860365
Energy: 0.6543620297628177
Energy: 0.49830689168860365
Energy: 0.5187698016569336
Energy: 0.4106366105607599
Energy: 0.517903211956185
Energy: 0.4106366105711476
Energy: 0.5187698016564144
Energy: 0.410636610547256
Energy: 0.49561545493877324
Energy: 0.45808322294789305
Energy: 0.4953015995620421
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Energy: 0.49561545493877324
Energy: 0.4580832229494512
Energy: 0.5508266448764801
Energy: 0.5713482542017039
Energy: 0.5508266448692087
Energy: 0.5713482542037814
Energy: 0.5508266448764801
Energy: 0.5713482542063784
Energy: 0.5497593770547826
Energy: 0.5984047978967239
Energy: 0.5497593770537439
Energy: 0.5984047978962045
Energy: 0.5497593770542633
Energy: 0.5984047978878944
Energy: 0.45300600463357354
Energy: 0.4998110123850644
Energy: 0.4530060046288992
Energy: 0.499811012384545
Energy: 0.45300600463409296
Energy: 0.49981101238662257
Energy: 0.5791008441840548
Energy: 0.5302229722861508
Energy: 0.5791083168816448
Energy: 0.5302229722871896
Energy: 0.5791008441840548
Energy: 0.5302229722892671
Energy: 0.5424487635469838
Energy: 0.6303402624810353
Energy: 0.5424586823057204
Energy: 0.6303402624805159
Energy: 0.5424487635469838
Energy: 0.6303402624846709
Energy: 0.6051877566942686
Energy: 0.5618368393868975
Energy: 0.6052156530381431
Energy: 0.5618368393905333
Energy: 0.6051877566942686
Energy: 0.5618368394004015
Energy: 0.6212367486484718
Energy: 0.5491691106103622
Energy: 0.6212367486552237
Energy: 0.5491691106103622
Energy: 0.6212367486521074
Energy: 0.5491691106098429
Energy: 0.48484851128088136
Energy: 0.4431871567813541
Energy: 0.4848485112788039
Energy: 0.4431871567834317
Energy: 0.48484851127776507
Energy: 0.44318715678654796
Energy: 0.5806568129957247
Energy: 0.5400949238740559
Energy: 0.5806568129967634
Energy: 0.5400949238740559
Energy: 0.5806568129962442
Energy: 0.5400949238808079

minimum gb energy = 0.410636610547256 eV
minimum distance =  2.24758070920012 Angstroms
sigma value = 43


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

Energy: 0.5593710166284694
Energy: 0.47786846389416393
Energy: 0.5593710166322973
Energy: 0.47786846389352605
Energy: 0.5593710166284694
Energy: 0.47786846389416393
Energy: 0.5012340661264413
Energy: 0.506880966686455
Energy: 0.5012340661289931
Energy: 0.5068809666851792
Energy: 0.5012340661270791
Energy: 0.5068809666858172
Energy: 0.6687813790813537
Energy: 0.5169857527596955
Energy: 0.6687813790800778
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Energy: 0.7013998112250571
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Energy: 0.5225139228608837
Energy: 0.6094321161392409
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Energy: 0.609432116136051
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Energy: 0.6094321161297004
Energy: 0.5339672360934742
Energy: 0.6101809501579315
Energy: 0.5339672360928361
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Energy: 0.5339672360941121
Energy: 0.6101809501585695
Energy: 0.5402677888840989
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Energy: 0.5501441913258687
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Energy: 0.5453059268253027
Energy: 0.5874736525175646
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Energy: 0.5453059268272165
Energy: 0.5874736525169266
Energy: 0.5473447239078908
Energy: 0.5390411652288617
Energy: 0.5473447239104426
Energy: 0.5390411652282238
Energy: 0.5473447239078908
Energy: 0.5390411652275858
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Energy: 0.589067223214765
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Energy: 0.5606619065237736
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Energy: 0.5522920313278744
Energy: 0.5461492381086354
Energy: 0.5522920313253225
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Energy: 0.5269661333259311
Energy: 0.49900087236691504
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Energy: 0.4990008723662771
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Energy: 0.49900087236563906
Energy: 0.5063559199497103
Energy: 0.6230979249554129
Energy: 0.5063559199484344
Energy: 0.6230979249541371
Energy: 0.5063559199446065
Energy: 0.6230979249554129
Energy: 0.5168854321330487
Energy: 0.5829489863304602
Energy: 0.5168854321336868
Energy: 0.5829489863310983
Energy: 0.5168854321330487
Energy: 0.5829489863310983
Energy: 0.5907325560896916
Energy: 0.5426802167177845
Energy: 0.5907325560865018
Energy: 0.5426802167177845
Energy: 0.5907325560909675
Energy: 0.5426802167177845
Energy: 0.5274726545323694
Energy: 0.5407830855635204
Energy: 0.5274726545310935
Energy: 0.5407830855654343
Energy: 0.5274726545336454
Energy: 0.5407830855647963
Energy: 0.5517143111592531
Energy: 0.48681676333586377
Energy: 0.5517143111598911
Energy: 0.4868167633345878
Energy: 0.5517143111598911
Energy: 0.4868167633365017
Energy: 0.5792526363051007
Energy: 0.5634921422110999
Energy: 0.5792526363057388
Energy: 0.5634921422085482
Energy: 0.5792526363070145
Energy: 0.5634921422098239
Energy: 0.5511279927172056
Energy: 0.5695663743033523
Energy: 0.5511279927178436
Energy: 0.5695663743033523
Energy: 0.5511279927159296
Energy: 0.5695663743027144
Energy: 0.5492084622256872
Energy: 0.657080713503315
Energy: 0.5492084622244114
Energy: 0.6570807135026769
Energy: 0.5492084622263252
Energy: 0.6570807135026769
Energy: 0.5330149892489014
Energy: 0.5347013536568237
Energy: 0.5330149892482636
Energy: 0.5347013536568237
Energy: 0.5330149892476257
Energy: 0.5347013536568237
Energy: 0.5396379855281866
Energy: 0.5673314029420852
Energy: 0.5396379855269108
Energy: 0.5673314029420852
Energy: 0.5396379855288246
Energy: 0.5673314029408094
Energy: 0.5436295462518256
Energy: 0.5102785597224636
Energy: 0.5436295462524637
Energy: 0.5102785597224636
Energy: 0.5436295462518256
Energy: 0.5102785597231015
Energy: 0.5446445730354016
Energy: 0.6034845203797425
Energy: 0.5446445730354016
Energy: 0.6034845203803806
Energy: 0.5446445730341255
Energy: 0.6034845203797425
Energy: 0.6017303864936485
Energy: 0.5198789272335396
Energy: 0.6017303864942865
Energy: 0.5198789272373674
Energy: 0.6017303864968384
Energy: 0.5198789272380053
Energy: 0.5672757896794142
Energy: 0.560352843042081
Energy: 0.5672757896787761
Energy: 0.5603528430427189
Energy: 0.5672757896794142
Energy: 0.5603528430414431
Energy: 0.5380828402495845
Energy: 0.5951620976308826
Energy: 0.5380828402502226
Energy: 0.5951620976289685
Energy: 0.5380828402502226
Energy: 0.5951620976296066
Energy: 0.5243126233426925
Energy: 0.5487229033715099
Energy: 0.5243126233407784
Energy: 0.5487229033727858
Energy: 0.5243126233420545
Energy: 0.5487229033721479
Energy: 0.5433698814715286
Energy: 0.5171396535222055
Energy: 0.5433698814708906
Energy: 0.5171396535228435
Energy: 0.5433698814715286
Energy: 0.5171396535209297

minimum gb energy = 0.47786846389352605 eV
minimum distance =  2.29906411056558 Angstroms
sigma value = 57


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

Energy: 0.4399934271327314
Energy: 0.5168629220859605
Energy: 0.4399934271327314
Energy: 0.5168629220867864
Energy: 0.43999342713107925
Energy: 0.5168629220851344
Energy: 0.5070514847913935
Energy: 0.3959060516829634
Energy: 0.5070514847930457
Energy: 0.39590605168461546
Energy: 0.5070514847955238
Energy: 0.39590605168461546
Energy: 0.5720098719936589
Energy: 0.5314696240137456
Energy: 0.572009871995311
Energy: 0.5314696240120935
Energy: 0.5720098719986151
Energy: 0.5314696240137456
Energy: 0.4271380392513045
Energy: 0.5645942248380915
Energy: 0.4271380392496524
Energy: 0.5645942248372655
Energy: 0.4271380392513045
Energy: 0.5645942248389176
Energy: 0.4656580524154914
Energy: 0.5574372794087621
Energy: 0.4656580524146654
Energy: 0.5574372794112401
Energy: 0.4656580524163174
Energy: 0.5574372794087621
Energy: 0.5731409230937096
Energy: 0.39772324182191476
Energy: 0.5731409230887533
Energy: 0.39772324182026275
Energy: 0.5731409230895794
Energy: 0.3977232418186107
Energy: 0.5642463775784615
Energy: 0.4817625910862751
Energy: 0.5642463775784615
Energy: 0.4817625910895792
Energy: 0.5642463775792875
Energy: 0.4817625910879271
Energy: 0.5042154657639708
Energy: 0.45509845576616925
Energy: 0.5042154657623187
Energy: 0.45509845576534325
Energy: 0.5042154657631447
Energy: 0.45509845576451724
Energy: 0.5281618421427821
Energy: 0.5167449353086098
Energy: 0.5281618421427821
Energy: 0.5167449353077836
Energy: 0.528161842141956
Energy: 0.5167449353077836
Energy: 0.5775906830130217
Energy: 0.4186042928776207
Energy: 0.5775906830121957
Energy: 0.4186042928809248
Energy: 0.5775906830113696
Energy: 0.41860429287844675
Energy: 0.5904145532360736
Energy: 0.5172319031011614
Energy: 0.5904145532377255
Energy: 0.5172319029732015
Energy: 0.5904145532368996
Energy: 0.5172319027255047
Energy: 0.4620823908262799
Energy: 0.5675485432776615
Energy: 0.46208239082545377
Energy: 0.5675485432776615
Energy: 0.46208239082545377
Energy: 0.5675485432776615
Energy: 0.7210842272438366
Energy: 0.5362698986874638
Energy: 0.7210842272446626
Energy: 0.5362698986874638
Energy: 0.7210842272430106
Energy: 0.5362698986874638
Energy: 0.6039878177399773
Energy: 0.486402043712039
Energy: 0.6039878177408033
Energy: 0.48640204371121293
Energy: 0.6039878177399773
Energy: 0.486402043712039
Energy: 0.5635673960542635
Energy: 0.45473026670978234
Energy: 0.5635673960526114
Energy: 0.4547302667089563
Energy: 0.5635673960542635
Energy: 0.45473026670978234
Energy: 0.5017467243262169
Energy: 0.5361267901018145
Energy: 0.5017467243262169
Energy: 0.5361267901018145
Energy: 0.5017467243278688
Energy: 0.5361267901018145
Energy: 0.6629942176988302
Energy: 0.5133090995768141
Energy: 0.662994217699656
Energy: 0.5133090995784662
Energy: 0.662994217697178
Energy: 0.5133090995768141
Energy: 0.5631503494713316
Energy: 0.5777518502294822
Energy: 0.5631503494738097
Energy: 0.5777518502080053
Energy: 0.5631503494738097
Energy: 0.5777518502336123
Energy: 0.6630984045395434
Energy: 0.5134294176307886
Energy: 0.6630984045395434
Energy: 0.5134294176299626
Energy: 0.6630984045387174
Energy: 0.5134294176299626
Energy: 0.501615402768751
Energy: 0.5360085610644538
Energy: 0.501615402765447
Energy: 0.5360085610652798
Energy: 0.501615402768751
Energy: 0.5360085610652798
Energy: 0.5637027253582171
Energy: 0.4546366711651218
Energy: 0.5637027253549131
Energy: 0.4546366711651218
Energy: 0.5637027253557391
Energy: 0.45463667116594786
Energy: 0.6036426520057225
Energy: 0.5642320605195711
Energy: 0.6036426520082008
Energy: 0.5642320605261794
Energy: 0.6036426520057225
Energy: 0.5642320605104848
Energy: 0.7211598479296929
Energy: 0.5364735646558128
Energy: 0.7211598479371272
Energy: 0.5364735646549867
Energy: 0.7211598479354752
Energy: 0.5364735646558128
Energy: 0.4642620278419821
Energy: 0.5538807388747522
Energy: 0.46426202778337144
Energy: 0.5538807388739262
Energy: 0.46426202781554915
Energy: 0.5538807388731002

minimum gb energy = 0.3959060516829634 eV
minimum distance =  2.27268137714656 Angstroms
sigma value = 17


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

Energy: 0.46028981007887515
Energy: 0.4506797560940725
Energy: 0.46028981007420244
Energy: 0.45067975609640887
Energy: 0.4602898100753706
Energy: 0.4506797560940725
Energy: 0.4229312970184936
Energy: 0.42174299578738067
Energy: 0.4229312970173254
Energy: 0.42174299578738067
Energy: 0.4229312970184936
Energy: 0.42174299578738067
Energy: 0.5605454718064283
Energy: 0.3885139425387558
Energy: 0.5605454718075965
Energy: 0.388513942539924
Energy: 0.5605454718099329
Energy: 0.388513942539924
Energy: 0.5517586017096542
Energy: 0.4719825344532709
Energy: 0.5517586017073177
Energy: 0.4719825344556073
Energy: 0.5517586017073177
Energy: 0.47198253445443905
Energy: 0.559297126872662
Energy: 0.5359260813350146
Energy: 0.5592971268714938
Energy: 0.535926081330342
Energy: 0.55929712687383
Energy: 0.5359260813291737
Energy: 0.5950857520103394
Energy: 0.5062615283913922
Energy: 0.5950857520126757
Energy: 0.5062615283925602
Energy: 0.5950857520091711
Energy: 0.5062615283925602
Energy: 0.45114963375862327
Energy: 0.46539567621665684
Energy: 0.45114963375979145
Energy: 0.46539567621899314
Energy: 0.4511496337574551
Energy: 0.46539567621665684
Energy: 0.5525332453885518
Energy: 0.42474175119917096
Energy: 0.5525332453885518
Energy: 0.42474175119917096
Energy: 0.5525332453862154
Energy: 0.42474175120033925
Energy: 0.5051673877523092
Energy: 0.4244871541388071
Energy: 0.505167387751141
Energy: 0.4244871541388071
Energy: 0.5051673877523092
Energy: 0.42448715413647076
Energy: 0.39055737137796315
Energy: 0.4074052068187133
Energy: 0.39055737137796315
Energy: 0.4074052068198815
Energy: 0.3905573713791313
Energy: 0.4074052068175451
Energy: 0.42517775771602745
Energy: 0.5116514619536375
Energy: 0.4251777577171957
Energy: 0.5116514619536375
Energy: 0.4251777577171957
Energy: 0.5116514619536375
Energy: 0.5179996794050018
Energy: 0.4020571785256174
Energy: 0.5179996794014973
Energy: 0.4020571785244492
Energy: 0.51799967940617
Energy: 0.40205717852328104
Energy: 0.5067996072713723
Energy: 0.455655815607673
Energy: 0.5067996072678678
Energy: 0.45565581560884116
Energy: 0.5067996072678678
Energy: 0.45565581560884116
Energy: 0.3939026631359046
Energy: 0.5940192583405195
Energy: 0.393902663138241
Energy: 0.5940192583428561
Energy: 0.393902663138241
Energy: 0.5940192583416878
Energy: 0.6789547746958157
Energy: 0.5632526371641288
Energy: 0.6789547746946475
Energy: 0.5632526371629607
Energy: 0.6789547746969837
Energy: 0.5632526371641288
Energy: 0.6417625941777743
Energy: 0.46323233353877247
Energy: 0.6417625941766061
Energy: 0.46323233353877247
Energy: 0.6417625941766061
Energy: 0.46323233353877247
Energy: 0.3980715987764334
Energy: 0.6581119861506625
Energy: 0.39807159877760157
Energy: 0.6581119861506625
Energy: 0.3980715987764334
Energy: 0.6581119861506625

minimum gb energy = 0.3885139425387558 eV
minimum distance =  2.28198974873158 Angstroms
sigma value = 17


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

Energy: 0.4718800782335177
Energy: 0.6003307231193845
Energy: 0.47188007823487105
Energy: 0.6003307231189333
Energy: 0.4718800782344199
Energy: 0.6003307231198356
Energy: 0.4150571209126555
Energy: 0.39101672319816116
Energy: 0.4150571209108511
Energy: 0.39101672319816116
Energy: 0.41505712090949776
Energy: 0.3910167231977101
Energy: 0.47899604251345096
Energy: 0.4132987643910522
Energy: 0.4789960425084887
Energy: 0.4132987643919544
Energy: 0.4789960425152554
Energy: 0.4132987643924055
Energy: 0.41874613092470175
Energy: 0.5280056132720247
Energy: 0.4187461309283106
Energy: 0.5280056132715736
Energy: 0.41874613092470175
Energy: 0.5280056132711225
Energy: 0.47347821314633354
Energy: 0.45507609990405606
Energy: 0.4734782131454313
Energy: 0.4550760999157849
Energy: 0.4734782131476868
Energy: 0.4550760999180405
Energy: 0.5882537920866161
Energy: 0.39661181290838726
Energy: 0.5882537920870673
Energy: 0.39661181290838726
Energy: 0.5882537920888717
Energy: 0.3966118129092895
Energy: 0.5292831106513777
Energy: 0.5602645211464855
Energy: 0.5292831106500243
Energy: 0.5602645211424254
Energy: 0.5292831106504753
Energy: 0.5602645211514476
Energy: 0.4646752893215719
Energy: 0.43408310642010906
Energy: 0.4646752887836421
Energy: 0.43408310642507136
Energy: 0.4646752872983375
Energy: 0.43408310641920683
Energy: 0.6083738091203996
Energy: 0.470162502929489
Energy: 0.608373809121753
Energy: 0.47016250293174466
Energy: 0.6083738091208508
Energy: 0.47016250293084244
Energy: 0.4482527634893896
Energy: 0.44882535761253306
Energy: 0.4482527634907429
Energy: 0.4488253576134353
Energy: 0.4482527634907429
Energy: 0.44882535761072867
Energy: 0.4727860983722545
Energy: 0.4140067141411798
Energy: 0.4727860983812767
Energy: 0.41400671414163087
Energy: 0.4727860983754122
Energy: 0.4140067141434353
Energy: 0.5017961864597434
Energy: 0.39010680430600464
Energy: 0.5017961864615479
Energy: 0.39010680430690686
Energy: 0.5017961864592922
Energy: 0.3901068043055536
Energy: 0.3955740759193414
Energy: 0.3967800709901658
Energy: 0.39557407592024363
Energy: 0.39678007099197027
Energy: 0.39557407592295035
Energy: 0.39678007099106805
Energy: 0.39013337966220485
Energy: 0.4662979181100189
Energy: 0.39013337966671596
Energy: 0.46629791810911664
Energy: 0.3901333796680692
Energy: 0.46629791811092114
Energy: 0.42528002926120384
Energy: 0.5515934183858915
Energy: 0.4252800292756394
Energy: 0.5515934183858915
Energy: 0.42528002925308384
Energy: 0.5515934183849893
Energy: 0.4381585466448403
Energy: 0.41560323183980313
Energy: 0.4381585466448403
Energy: 0.3816582534913993
Energy: 0.4381585466425847
Energy: 0.4156032318384498
Energy: 0.3927554277640717
Energy: 0.5852119658826599
Energy: 0.3927554277667783
Energy: 0.5852119658853665
Energy: 0.39275542776316946
Energy: 0.5852119658835621
Energy: 0.47186118704616126
Energy: 0.544544277416736
Energy: 0.47186118703984575
Energy: 0.5445442774131272
Energy: 0.47186118703804125
Energy: 0.544544277412676
Energy: 0.4644865337284417
Energy: 0.41985896676889983
Energy: 0.46448653372663734
Energy: 0.41985896677701984
Energy: 0.4644865337293439
Energy: 0.4198589667954743
Energy: 0.3910375508844337
Energy: 0.699384832619686
Energy: 0.39103755088308034
Energy: 0.6993848326192348
Energy: 0.39103755088082476
Energy: 0.699384832619686
Energy: 0.46440452999697285
Energy: 0.41990684480956514
Energy: 0.4644045299829884
Energy: 0.41990684481542956
Energy: 0.4644045300028374
Energy: 0.4199068448113696
Energy: 0.471493937296809
Energy: 0.5577017722777702
Energy: 0.47149393729951566
Energy: 0.5577017722795747
Energy: 0.47149393730447786
Energy: 0.5577017722795747
Energy: 0.39292930897738426
Energy: 0.5902637074234097
Energy: 0.39292930897603084
Energy: 0.5902637074220564
Energy: 0.3929293089782865
Energy: 0.5902637074238609
Energy: 0.43766261144183544
Energy: 0.42538365319379207
Energy: 0.4376626114504066
Energy: 0.42538365320100985
Energy: 0.43766261143732427
Energy: 0.42538365320281435
Energy: 0.4261371364887082
Energy: 0.5514350581941125
Energy: 0.4261371365044971
Energy: 0.5514350581927592
Energy: 0.42613713648690377
Energy: 0.5514350581936615
Energy: 0.3926947225623324
Energy: 0.4661537828156933
Energy: 0.3926947225681968
Energy: 0.4661537828179489
Energy: 0.3926947225596257
Energy: 0.4661537828202045
Energy: 0.3954009367347485
Energy: 0.39673900353378366
Energy: 0.39540093672888404
Energy: 0.3967390035355881
Energy: 0.3954009367221584
Energy: 0.39673900352160374
Energy: 0.501868360851561
Energy: 0.3678110861469941
Energy: 0.5018683608511099
Energy: 0.36781108614293406
Energy: 0.5018683608520121
Energy: 0.3678110861469941
Energy: 0.5061160075873398
Energy: 0.4135045695035702
Energy: 0.5061160075877907
Energy: 0.41350456949729564
Energy: 0.5061160075895952
Energy: 0.41350456950988584
Energy: 0.44811508740961553
Energy: 0.4833285061310352
Energy: 0.4481150874078111
Energy: 0.4833285061310352
Energy: 0.44811508741006656
Energy: 0.48332850613148626
Energy: 0.6082187167091443
Energy: 0.46966446439453224
Energy: 0.6082187167149676
Energy: 0.46966446439408116
Energy: 0.6082187167190276
Energy: 0.46966446439408116
Energy: 0.46422665554049714
Energy: 0.4337962571324594
Energy: 0.4642266553799426
Energy: 0.4337962571410305
Energy: 0.4642266548596062
Energy: 0.4337962571279483
Energy: 0.5322050809651785
Energy: 0.5604409319754117
Energy: 0.5322050809651785
Energy: 0.5604409319794716
Energy: 0.5322050809647274
Energy: 0.5604409319794716
Energy: 0.5884853558571458
Energy: 0.3659115596502429
Energy: 0.5884853558598525
Energy: 0.3659115596439683
Energy: 0.5884853558557925
Energy: 0.36591155964441946
Energy: 0.4253890402432116
Energy: 0.4547010451857032
Energy: 0.42538904023915153
Energy: 0.4547010451947255
Energy: 0.4253890402463693
Energy: 0.4547010451947255
Energy: 0.41994865292066375
Energy: 0.5280641954622433
Energy: 0.41994865291931044
Energy: 0.5280641954617922
Energy: 0.4199486529170549
Energy: 0.5280641954622433
Energy: 0.4789780024867299
Energy: 0.41330542576028945
Energy: 0.47897800248537653
Energy: 0.4133054257589361
Energy: 0.47897800248582767
Energy: 0.41330542576028945
Energy: 0.41497625939033767
Energy: 0.3586358695495507
Energy: 0.4149762593925932
Energy: 0.35863586954909954
Energy: 0.4149762593885332
Energy: 0.3586358695495507
Energy: 0.4718800782389311
Energy: 0.6003307231117156
Energy: 0.47188007823802885
Energy: 0.6003307231112645
Energy: 0.47188007823848
Energy: 0.6003307231117156
Energy: 0.4150571209207755
Energy: 0.39101672319455233
Energy: 0.41505712091852004
Energy: 0.3910167231936501
Energy: 0.41505712092303104
Energy: 0.3910167231936501
Energy: 0.4789960425139021
Energy: 0.4132987643887967
Energy: 0.4789960425116465
Energy: 0.41329876438834556
Energy: 0.47899604251480427
Energy: 0.4132987643896988
Energy: 0.4187461309314684
Energy: 0.4320872519199766
Energy: 0.4187461309323706
Energy: 0.4320872519195255
Energy: 0.41874613093191954
Energy: 0.43208725191862324
Energy: 0.4734782131400179
Energy: 0.45507609991037157
Energy: 0.4734782131382136
Energy: 0.45507609990901826
Energy: 0.473478213144078
Energy: 0.4550760999054093

minimum gb energy = 0.35863586954909954 eV
minimum distance =  2.28741017298537 Angstroms
sigma value = 57


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

Energy: 0.37439660544188186
Energy: 0.5664010640794043
Energy: 0.37439660551306325
Energy: 0.5664010640779352
Energy: 0.37439660550645265
Energy: 0.5664010640830769
Energy: 0.38057842994358404
Energy: 0.4169812912718652
Energy: 0.3805784299472566
Energy: 0.4169812912718652
Energy: 0.38057842994872565
Energy: 0.4169812912718652
Energy: 0.4868417535113581
Energy: 0.41643733611260564
Energy: 0.48684175351062364
Energy: 0.4164373361111366
Energy: 0.48684175351282716
Energy: 0.41643733611187106
Energy: 0.3541504735427298
Energy: 0.530662320895592
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Energy: 0.5306623208963265
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Energy: 0.5306623208963265
Energy: 0.4340945156094349
Energy: 0.4038065551124421
Energy: 0.4340945156072313
Energy: 0.40380655511097313
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Energy: 0.40380655511170765
Energy: 0.4662714077029556
Energy: 0.4001812393444319
Energy: 0.4662714077029556
Energy: 0.4001812393444319
Energy: 0.46627140770148656
Energy: 0.4001812393444319
Energy: -2.4395959981887967
Energy: 0.49758453814272813
Energy: -2.439599932386862
Energy: 0.49758453814272813
Energy: -2.439611900152801
Energy: 0.49758453814125914
Energy: -1.4217092412424237
Energy: 0.5476215627734276
Energy: -1.4217092412483
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Energy: -1.4217092412790826
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Energy: 0.5224034363879798
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Energy: 0.5224032480430186
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Energy: 0.5224019756722339
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Energy: 0.4608948469764884
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Energy: 0.46089484697795746
Energy: 0.42081777564649875
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Energy: 0.4391782590791082
Energy: 0.4145558664407514
Energy: 0.4391782590827808
Energy: 0.41455586643928233
Energy: 0.4861113262103059
Energy: 0.5159767869419953
Energy: 0.48611132620883685
Energy: 0.5159767869405264
Energy: 0.4861113262095714
Energy: 0.5159767869390574
Energy: 0.37987206896247255
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Energy: 0.3798720689632071
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Energy: 0.47121893887392796
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Energy: 0.42802910192305743
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Energy: 0.42802910191865035
Energy: 0.3616463256384579
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Energy: 0.45396785767333064
Energy: 0.47884808053416544
Energy: 0.45396785767553416
Energy: 0.4788480805319618
Energy: 0.4539678576740651
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Energy: 0.4137617873492722
Energy: 0.43045584790237196
Energy: 0.41376178735074126
Energy: 0.4304558479016374
Energy: 0.41376178734853775
Energy: 0.4304558479031064
Energy: 0.5078468841211573
Energy: 0.43477998729751494
Energy: 0.5078468841226264
Energy: 0.43477998726813427
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Energy: 0.4347799872931078
Energy: 0.39966113962423006
Energy: 0.3876849238272409
Energy: 0.3996611396249646
Energy: 0.38768492383825864
Energy: 0.39966113962423006
Energy: 0.3876849238294444
Energy: 0.3966012141759684
Energy: 0.4878642215899294
Energy: 0.39660121417817196
Energy: 0.48786422158919485
Energy: 0.39660121417817196
Energy: 0.4878642215884604
Energy: 0.513515621717087
Energy: 0.2681772740828659
Energy: 0.5135156217009277
Energy: 0.2681772741034324
Energy: 0.513515621717087
Energy: 0.2681772740975562
Energy: 0.4667190977185384
Energy: 0.4744407689011734
Energy: 0.4667190977170694
Energy: 0.4744407688989698
Energy: 0.4667190977170694
Energy: 0.47444076890043885
Energy: 0.4002813547614427
Energy: 0.5694065991505356
Energy: 0.4002813547599737
Energy: 0.5694065991520046
Energy: 0.4002813547636463
Energy: 0.5694065991498012
Energy: 0.5150442689888638
Energy: 0.45787571727054427
Energy: 0.5150442689881294
Energy: 0.45787571726760623
Energy: 0.5150442689873947
Energy: 0.45787571726760623
Energy: 0.3591479526610357
Energy: 0.5484346590293059
Energy: 0.3582161096964701
Energy: 0.5484346590300404
Energy: 0.35815492761715045
Energy: 0.5484346590293059
Energy: 0.4206407767658444
Energy: 0.5649200085633496
Energy: 0.42064077676657885
Energy: 0.564920008562615
Energy: 0.42064077676731343
Energy: 0.5649200085618805
Energy: 0.4719989511266626
Energy: 0.34159038754154325
Energy: 0.4719989511273971
Energy: 0.3415903875496229
Energy: 0.4719989511251936
Energy: 0.3415903875709239

minimum gb energy = -2.439611900152801 eV
minimum distance =  2.29727283627981 Angstroms
sigma value = 43


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

Energy: 0.44456157523816714
Energy: 0.49803369533836866
Energy: 0.4445615752424486
Energy: 0.49803369534157965
Energy: 0.4445615752328155
Energy: 0.49803369533997416
Energy: 0.5489295102519035
Energy: 0.3733739975778637
Energy: 0.5489295102529739
Energy: 0.37337399757732853
Energy: 0.5489295102524386
Energy: 0.37337399757732853
Energy: 0.4227631411164079
Energy: 0.37547274850454726
Energy: 0.4227631411196188
Energy: 0.37547274850454726
Energy: 0.4227631411164079
Energy: 0.37547274850454726
Energy: 0.39854914612498477
Energy: 0.31902153729558125
Energy: 0.3985491461265903
Energy: 0.3190215372950461
Energy: 0.39854914612766057
Energy: 0.3190215372902296
Energy: 0.631332468369864
Energy: 0.3413003649773027
Energy: 0.6313324683709343
Energy: 0.3413003649767676
Energy: 0.631332468369864
Energy: 0.3413003649778379
Energy: 0.39730714622055485
Energy: 0.29511354476425244
Energy: 0.39730714622055485
Energy: 0.29511354476371726
Energy: 0.39730714622216035
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Energy: 0.24758859893806448
Energy: 0.3596141084644082
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Energy: 0.44806461694838423
Energy: 0.5326796325808036
Energy: 0.4480646169499898
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Energy: 0.4480646169494546
Energy: 0.4330041197801576
Energy: 0.40101768306454855
Energy: 0.4330041197806928
Energy: 0.4010176830640133
Energy: 0.4330041197796224
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Energy: 0.25499565493016096
Energy: 0.41765317124590173
Energy: 0.2549956549264148
Energy: 0.41765317124429635
Energy: 0.3441592453498854
Energy: 0.48570736918262547
Energy: 0.3441592453482799
Energy: 0.48570736918262547
Energy: 0.3441592453477448
Energy: 0.4857073691842311
Energy: 0.5409025616469263
Energy: 0.337160043091183
Energy: 0.5409025616463911
Energy: 0.33716004309064784
Energy: 0.5409025616474614
Energy: 0.3371600430901127
Energy: 0.3356862177550374
Energy: 0.3106257552175778
Energy: 0.3356862177566428
Energy: 0.31087353918389266
Energy: 0.3356862177566428
Energy: 0.3111048383942991
Energy: 0.300198846817235
Energy: 0.3477835800386622
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Energy: 0.34778358003812704
Energy: 0.38949785007284554
Energy: 0.4181999533975349
Energy: 0.3894978500733807
Energy: 0.41819995340021077
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Energy: 0.4181999533980701
Energy: 0.3195430304379111
Energy: 0.42514097036284826
Energy: 0.3195430304395166
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Energy: 0.3195430304395166
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Energy: 0.28533315440887536
Energy: 0.3512321979668623
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Energy: 0.35123219796311606
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Energy: 0.2524533941057426
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Energy: 0.2524533941030668
Energy: 0.41062010998812515
Energy: 0.25245339410681295
Energy: 0.3951378925568091
Energy: 0.38305905414622043
Energy: 0.39513789255573867
Energy: 0.38305905414568525
Energy: 0.3951378925568091
Energy: 0.3830590541467556
Energy: 0.340870067242684
Energy: 0.12423267885114989
Energy: 0.34087006724428953
Energy: 0.12423268164406849
Energy: 0.34087006724321917
Energy: 0.12423267829534906
Energy: 0.23777709652919005
Energy: 0.38481986173690713
Energy: 0.23777709652972523
Energy: 0.3848198617401181
Energy: 0.23777709652972523
Energy: 0.3848198617353016
Energy: 0.42385956792579677
Energy: 0.3430358948234318
Energy: 0.423859567926332
Energy: 0.3430358948234318
Energy: 0.42385956792526164
Energy: 0.34303589482289665
Energy: 0.38885847090789394
Energy: 0.5724997273827162
Energy: 0.3888584709046829
Energy: 0.5724997273778996
Energy: 0.38885847089986636
Energy: 0.5724997273827162
Energy: 0.5480105538829275
Energy: 0.3304866680837936
Energy: 0.5480105538850684
Energy: 0.33048666808272326
Energy: 0.5480105538823924
Energy: 0.33048666807683635
Energy: 0.39088289882300203
Energy: 0.3612161990146774
Energy: 0.3908828988219317
Energy: 0.36121619901681806
Energy: 0.39088289882353716
Energy: 0.3612161990146774
Energy: 0.38147948331652365
Energy: 0.2069360570432143
Energy: 0.38147948331652365
Energy: 0.2069360570432143
Energy: 0.38147948331598847
Energy: 0.20693605703946807
Energy: 0.4357953077656057
Energy: 0.2960236125855649
Energy: 0.43579530776828146
Energy: 0.29602361259626836
Energy: 0.41476408354392275
Energy: 0.29602361259252213
Energy: 0.35154820021813377
Energy: 0.5186542035417553
Energy: 0.35154820021813377
Energy: 0.5186542035412202
Energy: 0.35154820021866895
Energy: 0.5186542035401499
Energy: 0.3410181462882314
Energy: 0.43554531196647406
Energy: 0.3410181462887666
Energy: 0.4355453119659389
Energy: 0.34101814628930177
Energy: 0.43554531196647406
Energy: 0.4842410896564249
Energy: 0.2636962595111924
Energy: 0.4842410896580305
Energy: 0.263696259510122
Energy: 0.4842410896585656
Energy: 0.26369625951065717
Energy: 0.3754620300268088
Energy: 0.6360797394227954
Energy: 0.37546203002573847
Energy: 0.6360797394254712
Energy: 0.37653434955474885
Energy: 0.6360797394222603
Energy: 0.326534385053496
Energy: 0.4886214929856088
Energy: 0.3265343850540312
Energy: 0.48862149298721436
Energy: 0.32653438505296084
Energy: 0.4886214929931012
Energy: 0.4181803264833767
Energy: 0.2756595375583201
Energy: 0.4181803264817713
Energy: 0.275659537564207
Energy: 0.41818032648605263
Energy: 0.2756595375599256
Energy: 0.5798601651139562
Energy: 0.27721047230218926
Energy: 0.5798601651144915
Energy: 0.27721047230379475
Energy: 0.5798601651134211
Energy: 0.2772104723027245
Energy: 0.3918254199797153
Energy: 0.5909130907267915
Energy: 0.3918254199802505
Energy: 0.5909130907267915
Energy: 0.39182541997864495
Energy: 0.5909130907273267
Energy: 0.3761165489456849
Energy: 0.3601153033473657
Energy: 0.3761165489456849
Energy: 0.3601153033414788
Energy: 0.3761165489467553
Energy: 0.3601153033462954

minimum gb energy = 0.12423267829534906 eV
minimum distance =  2.29199092861332 Angstroms
sigma value = 81


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

Energy: 0.12515746551793816
Energy: 0.040609076669472194
Energy: 0.12515746551793816
Energy: 0.04060907667930394
Energy: 0.12515746551793816
Energy: 0.04060907667143855
Energy: 0.5414483020238097
Energy: 0.11419887563540722
Energy: 0.5414483020238097
Energy: 0.11419887563540722
Energy: 0.5414483020238097
Energy: 0.11419887563540722
Energy: 0.5416554684893531
Energy: 0.12051342455271945
Energy: 0.5416554684893531
Energy: 0.12051342455075309
Energy: 0.5416554684913194
Energy: 0.12051342455271945
Energy: 0.12515746551793816
Energy: 0.04060907667930394
Energy: 0.12515746551793816
Energy: 0.0406090766655395
Energy: 0.1251574655199045
Energy: 0.0406090766734049
Energy: 0.5414483020238097
Energy: 0.11419887563540722
Energy: 0.5414483020238097
Energy: 0.11419887563540722
Energy: 0.5414483020238097
Energy: 0.11419887563540722
Energy: 0.5416554684893531
Energy: 0.12051342455271945
Energy: 0.5416554684893531
Energy: 0.12051342455075309
Energy: 0.5416554684913194
Energy: 0.12051342455271945
Energy: 0.12515746551793816
Energy: 0.04060907667930394
Energy: 0.12515746551793816
Energy: 0.040609076675371246
Energy: 0.1251574655199045
Energy: 0.0406090766812703
Energy: 0.5414483020100453
Energy: 0.11419887563540722
Energy: 0.541448302025776
Energy: 0.11419887563540722
Energy: 0.5414483020120117
Energy: 0.11419887563540722
Energy: 0.5416554684736671
Energy: 0.12051342455271945
Energy: 0.5416554684893531
Energy: 0.12051342455075309
Energy: 0.5416554684893531
Energy: 0.12051342455271945
Energy: 0.12515746551793816
Energy: 0.04060907667143855
Energy: 0.12515746551793816
Energy: 0.04060907667143855
Energy: 0.12515746551793816
Energy: 0.040609076683236635

minimum gb energy = 0.0406090766655395 eV
minimum distance =  2.38350613039334 Angstroms
sigma value = 3


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

Energy: 0.4428429571974061
Energy: 0.442934402526085
Energy: 0.4428429571962292
Energy: 0.4429344025272619
Energy: 0.4428429571962292
Energy: 0.4429344025266735
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Energy: 0.5466874570861876
Energy: 0.3649360728553294
Energy: 0.5571405671356886
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Energy: 0.3661218791884789
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Energy: 0.4873166530711911
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Energy: 0.5086972512232948
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Energy: 0.39251326193788716
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Energy: 0.4793809833461223
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Energy: 0.5444689955701972
Energy: 0.4163515465038
Energy: 0.5444689955743164
Energy: 0.4163515465032116
Energy: 0.5444689955760815
Energy: 0.4163515465038

minimum gb energy = 0.3221136657778837 eV
minimum distance =  2.28966040341565 Angstroms
sigma value = 67


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

Energy: 0.4857258924262435
Energy: 0.44298059660717903
Energy: 0.4857258924279204
Energy: 0.44298059660885597
Energy: 0.4857258924254051
Energy: 0.44298059660717903
Energy: 0.5384187274197147
Energy: 0.4364316446669753
Energy: 0.5384187274180379
Energy: 0.43643164466865225
Energy: 0.5384187274213916
Energy: 0.43643164466781376
Energy: 0.5330761555851036
Energy: 0.4392896939563615
Energy: 0.5330761555775574
Energy: 0.4392896939572001
Energy: 0.5145046164013084
Energy: 0.43928969395468465
Energy: 0.5625878919314344
Energy: 0.5618773065881114
Energy: 0.5625878919297574
Energy: 0.5618773065855961
Energy: 0.5625878919297574
Energy: 0.5618773065864345
Energy: 0.5075076008563162
Energy: 0.4602213949895774
Energy: 0.5075076008579931
Energy: 0.46022139499125425
Energy: 0.5075076008579931
Energy: 0.46022139499125425
Energy: 0.518086345149811
Energy: 0.44422828046758545
Energy: 0.518086345149811
Energy: 0.44422828046758545
Energy: 0.518086345149811
Energy: 0.44422828046758545
Energy: 0.46147172484988924
Energy: 0.577516131135457
Energy: 0.461471724847374
Energy: 0.577516131135457
Energy: 0.4614717248482124
Energy: 0.5775161311362955
Energy: 0.50928159453983
Energy: 0.44808795467949536
Energy: 0.5092815945423453
Energy: 0.4480879546803338
Energy: 0.5092815945373146
Energy: 0.4480879546811723
Energy: 0.5020535128015593
Energy: 0.5771586129195803
Energy: 0.5020535128007207
Energy: 0.5771586129179033
Energy: 0.5020535128007207
Energy: 0.5771586129187417
Energy: 0.48711333109740224
Energy: 0.5307678175063261
Energy: 0.48711333109740224
Energy: 0.530767817508003
Energy: 0.4871133311041098
Energy: 0.5307678175088414
Energy: 0.4981181350379608
Energy: 0.5725257397623272
Energy: 0.4981181350354455
Energy: 0.5725257397631657
Energy: 0.4981181350354455
Energy: 0.5725257397631657
Energy: 0.4575471571895025
Energy: 0.5699808577572085
Energy: 0.4575471571895025
Energy: 0.5699808577555316
Energy: 0.45754715718866407
Energy: 0.5699808577555316
Energy: 0.4662459927553834
Energy: 0.5317869665835352
Energy: 0.4662459927553834
Energy: 0.5317869665843737
Energy: 0.4662459927520296
Energy: 0.5317869665818583
Energy: 0.47828209914902686
Energy: 0.4250544210098483
Energy: 0.47828209914902686
Energy: 0.42505442100146373
Energy: 0.47828209914902686
Energy: 0.42505442100481755
Energy: 0.48338664466881115
Energy: 0.5513631071268997
Energy: 0.4833866446671342
Energy: 0.5513631071268997
Energy: 0.48338664466881115
Energy: 0.5513631071285766
Energy: 0.49956536274767854
Energy: 0.43936074733360747
Energy: 0.49956536275187086
Energy: 0.4393607473294152
Energy: 0.49956536275354774
Energy: 0.4393607473294152
Energy: 0.47410509523428007
Energy: 0.4374225264013153
Energy: 0.4741050952334416
Energy: 0.4374225264004768
Energy: 0.4741050952326031
Energy: 0.43742252639963836
Energy: 0.41916173501875326
Energy: 0.48641664151089054
Energy: 0.41916173501875326
Energy: 0.48641664151256747
Energy: 0.4191617350170763
Energy: 0.4864166415117289
Energy: 0.4599662392321702
Energy: 0.5536109998010524
Energy: 0.4599662392321702
Energy: 0.553610999800214
Energy: 0.45996623923552404
Energy: 0.5536109998010524
Energy: 0.5212807833764715
Energy: 0.4588086591516307
Energy: 0.5212807833764715
Energy: 0.45880865915330765
Energy: 0.5212807833798253
Energy: 0.45880865915330765
Energy: 0.5550640531753906
Energy: 0.5318656997941245
Energy: 0.5550640531770676
Energy: 0.5318656997916091
Energy: 0.5550640531762292
Energy: 0.531865699793286
Energy: 0.5872062488863141
Energy: 0.5561619977204527
Energy: 0.587206248889668
Energy: 0.556161997718776
Energy: 0.5872062488913449
Energy: 0.556161997718776
Energy: 0.5840378922105526
Energy: 0.44602108940953905
Energy: 0.5840378922130679
Energy: 0.44602108940953905
Energy: 0.5840378922097141
Energy: 0.4460210894087006

minimum gb energy = 0.4191617350170763 eV
minimum distance =  2.31719016436746 Angstroms
sigma value = 33


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

Energy: 0.7133061897097922
Energy: 0.4736506212074884
Energy: 0.7133061897097922
Energy: 0.47365062120855217
Energy: 0.7133061897103241
Energy: 0.4736506212069565
Energy: 0.5057786439211867
Energy: 0.5241932895787704
Energy: 0.5057786439206547
Energy: 0.5241932895777067
Energy: 0.5057786439163996
Energy: 0.5241932895777067
Energy: 0.47737803933954104
Energy: 0.4864630816084085
Energy: 0.4773780393400729
Energy: 0.4864630816094724
Energy: 0.47737803933954104
Energy: 0.486463081611068
Energy: 0.5623396981730366
Energy: 0.5563587529635386
Energy: 0.5623396981788875
Energy: 0.5563587529624748
Energy: 0.5623396981772917
Energy: 0.5563587529624748
Energy: 0.501245071270635
Energy: 0.49980057695008034
Energy: 0.5012450712711668
Energy: 0.4998005769506122
Energy: 0.5012450712701031
Energy: 0.49980057695008034
Energy: 0.5364275737249403
Energy: 0.5256393289049567
Energy: 0.5364275737223292
Energy: 0.5472528505253221
Energy: 0.536427573723393
Energy: 0.5256393289054886
Energy: 0.45987022835720487
Energy: 0.619825427949448
Energy: 0.4598702283577368
Energy: 0.6198254279483841
Energy: 0.45987022835826863
Energy: 0.6198254279489162
Energy: 0.5965331910294813
Energy: 0.6422411682608155
Energy: 0.5965331910273537
Energy: 0.642241168257624
Energy: 0.5965331910284176
Energy: 0.6422411682565602
Energy: 0.5100025355219403
Energy: 0.6192672753752435
Energy: 0.5100025355219403
Energy: 0.6192672753752435
Energy: 0.5100025355240678
Energy: 0.619267275378435
Energy: 0.5081002891134606
Energy: 0.5603303368207951
Energy: 0.5081002891145245
Energy: 0.56568097686321
Energy: 0.5081002891150563
Energy: 0.5608825703437876
Energy: 0.5534700139676292
Energy: 0.516426269656378
Energy: 0.5534700139681611
Energy: 0.5164262696542504
Energy: 0.5534700139697568
Energy: 0.5164262696590375
Energy: 0.5547835768477039
Energy: 0.5984484778960344
Energy: 0.554783576847172
Energy: 0.5984484778960344
Energy: 0.554783576847172
Energy: 0.5984484778976302
Energy: 0.4941017055934814
Energy: 0.5181164058581681
Energy: 0.4941017055918856
Energy: 0.5181164058597637
Energy: 0.49410170559294947
Energy: 0.5181164058587
Energy: 0.534201841063304
Energy: 0.5037186096710271
Energy: 0.534201841063304
Energy: 0.5037186096710271
Energy: 0.5342018410627722
Energy: 0.5037186096726228
Energy: 0.5373841533445619
Energy: 0.4959343654851745
Energy: 0.53738415334403
Energy: 0.4959343654851745
Energy: 0.5373841533456258
Energy: 0.4959343654846426
Energy: 0.6058717893112192
Energy: 0.5303174740582816
Energy: 0.6058717893122829
Energy: 0.5303174740588136
Energy: 0.6058717893106872
Energy: 0.5303174740582816
Energy: 0.6385769826921615
Energy: 0.519652303183566
Energy: 0.6385769826926933
Energy: 0.519652303184098
Energy: 0.6385769826910976
Energy: 0.5196523031830342
Energy: 0.576825276509991
Energy: 0.5487890871322821
Energy: 0.5768252765115867
Energy: 0.5487890871365373
Energy: 0.5768252765110549
Energy: 0.5487890871306864
Energy: 0.5453771199421766
Energy: 0.5363725231172854
Energy: 0.5453771199405809
Energy: 0.5363725231162216
Energy: 0.5453771199432403
Energy: 0.5363725231183493
Energy: 0.6287719369308854
Energy: 0.5181329277549558
Energy: 0.6287719369287578
Energy: 0.5181329277586791
Energy: 0.6287719369282257
Energy: 0.5181329277581471
Energy: 0.47580743877447484
Energy: 0.5017023099584728
Energy: 0.47580743877394294
Energy: 0.5017023099558132
Energy: 0.47580743877607046
Energy: 0.5017023099595366
Energy: 0.4770411450920269
Energy: 0.5320103879882944
Energy: 0.4770411450930907
Energy: 0.532010387990422
Energy: 0.4770411450920269
Energy: 0.5320103879914857
Energy: 0.5652398397414566
Energy: 0.5277642446379378
Energy: 0.5652398397399093
Energy: 0.5277642446400653
Energy: 0.5652398397414566
Energy: 0.5277642446374059
Energy: 0.5128357142742609
Energy: 0.5092012366197346
Energy: 0.5128357142742609
Energy: 0.5092012366202666
Energy: 0.512835714273729
Energy: 0.5092012366202666
Energy: 0.4500936005208871
Energy: 0.6105747332580674
Energy: 0.45009360051929137
Energy: 0.6105747332564716
Energy: 0.4500936005198232
Energy: 0.6105747332580674
Energy: 0.5929194848411831
Energy: 0.5645316919289484
Energy: 0.5929194848411831
Energy: 0.564531691925757
Energy: 0.5929194848422469
Energy: 0.5645316919209699
Energy: 0.4729731209302941
Energy: 0.5325984085451337
Energy: 0.47297312092710275
Energy: 0.5325984085461976
Energy: 0.47297312092923033
Energy: 0.5325984085483251
Energy: 0.49098961506634103
Energy: 0.6481368103302213
Energy: 0.4909896150652772
Energy: 0.637729074367631
Energy: 0.4909896150658092
Energy: 0.6241441548489416
Energy: 0.6146145982613377
Energy: 0.5382018230125487
Energy: 0.6146145982602739
Energy: 0.5382018230141444
Energy: 0.6146145982624015
Energy: 0.5382018230130805
Energy: 0.4747617116994891
Energy: 0.6183714336337007
Energy: 0.4747617117005529
Energy: 0.6183714336358282
Energy: 0.474761711694702
Energy: 0.6183714336347644
Energy: 0.5584521336507066
Energy: 0.5879782697131402
Energy: 0.5584521336512384
Energy: 0.587978269714204
Energy: 0.5584521336517704
Energy: 0.5879782697147358
Energy: 0.564148221770929
Energy: 0.5569482842737865
Energy: 0.564148221770929
Energy: 0.5569482842737865
Energy: 0.5641482217725248
Energy: 0.5569482842737865
Energy: 0.6026055585047595
Energy: 0.47196174789552725
Energy: 0.6026055585047595
Energy: 0.47196174789552725
Energy: 0.6026055585058233
Energy: 0.4719617478944635
Energy: 0.5402539871745918
Energy: 0.5315211902665535
Energy: 0.5402539871719324
Energy: 0.5315211902670856
Energy: 0.5402539871740599
Energy: 0.5315211902665535
Energy: 0.45873553522001936
Energy: 0.4680196467230599
Energy: 0.45873553522214694
Energy: 0.4680196467246555
Energy: 0.45873553522108307
Energy: 0.46801964672412366
Energy: 0.49620780425168154
Energy: 0.5047610185178788
Energy: 0.4962078042564686
Energy: 0.504761018516815
Energy: 0.4962078042564686
Energy: 0.5047610185189425
Energy: 0.5035832626364903
Energy: 0.5205445355885959
Energy: 0.5035832626375542
Energy: 0.5205445355880641
Energy: 0.5035832626364903
Energy: 0.5205445355859365

minimum gb energy = 0.45009360051929137 eV
minimum distance =  2.26609701948071 Angstroms
sigma value = 41


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

Energy: 0.5574079767314467
Energy: 0.4498283041830125
Energy: 0.5574079767299944
Energy: 0.4498283041815602
Energy: 0.557407976732899
Energy: 0.4498283041830125
Energy: 0.550550438396527
Energy: 0.5348102636691033
Energy: 0.5505504383936224
Energy: 0.5348102636705556
Energy: 0.5505504383921703
Energy: 0.5348102636705556
Energy: 0.548422866881062
Energy: 0.5375738377489556
Energy: 0.548422866881062
Energy: 0.5375738377518601
Energy: 0.5484228668767054
Energy: 0.5375738377489556
Energy: 0.4740800230017643
Energy: 0.6316218198702005
Energy: 0.47408002300612107
Energy: 0.6316218198702005
Energy: 0.47408002300466884
Energy: 0.6316218198702005
Energy: 0.5839476524649223
Energy: 0.637127075746521
Energy: 0.5839476524663746
Energy: 0.637127075746521
Energy: 0.5839476524649223
Energy: 0.637127075746521
Energy: 0.592907483225464
Energy: 0.5632855647463384
Energy: 0.592907483225464
Energy: 0.5632855647448861
Energy: 0.5929074832240119
Energy: 0.5632855647448861
Energy: 0.4718006323212147
Energy: 0.6015705426955588
Energy: 0.4718006323226669
Energy: 0.6015705426955588
Energy: 0.47180063231976244
Energy: 0.6015705426955588
Energy: 0.568426840162157
Energy: 0.43071409321106496
Energy: 0.5684268401650616
Energy: 0.4307140931297392
Energy: 0.5684268401636093
Energy: 0.4307140931558796
Energy: 0.5510076365286137
Energy: 0.5474486989363159
Energy: 0.5510076365286137
Energy: 0.5474486989363159
Energy: 0.5510076365271616
Energy: 0.5474486989363159
Energy: 0.5114965176304105
Energy: 0.4475432998078612
Energy: 0.5114965176289582
Energy: 0.4475432998093134
Energy: 0.5114965176347012
Energy: 0.4475432998093134
Energy: 0.5846918615479345
Energy: 0.5470788253624407
Energy: 0.5846918615464822
Energy: 0.5470788253653452
Energy: 0.5846918615479345
Energy: 0.547078825363893
Energy: 0.48851889605266424
Energy: 0.5070613726636456
Energy: 0.48851889605266424
Energy: 0.5070613726650979
Energy: 0.488518896051212
Energy: 0.5070613726665502
Energy: 0.5804576039966692
Energy: 0.6639286307846589
Energy: 0.5804576039966692
Energy: 0.6639286307846589
Energy: 0.580457603995217
Energy: 0.6639286307832066
Energy: 0.5799155364837719
Energy: 0.6274267145975021
Energy: 0.579915536485224
Energy: 0.6274267145975021
Energy: 0.5799155364837719
Energy: 0.6274267145975021

minimum gb energy = 0.4307140931297392 eV
minimum distance =  2.23298460112371 Angstroms
sigma value = 11


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

Energy: 0.6330329159321085
Energy: 0.6531050011411427
Energy: 0.6330329159308326
Energy: 0.6531050011411427
Energy: 0.6330329159321085
Energy: 0.6531050011411427
Energy: 0.5379940217947536
Energy: 0.6023999406086142
Energy: 0.5379940217960294
Energy: 0.6023999406086142
Energy: 0.5379940217960294
Energy: 0.6023999406092522
Energy: 0.654513650048458
Energy: 0.5215545421206783
Energy: 0.654513650047182
Energy: 0.5215545421213162
Energy: 0.6545136500478199
Energy: 0.5215545421162124
Energy: 0.5590160426880533
Energy: 0.6491508470220636
Energy: 0.5590160426874153
Energy: 0.6491508470220636
Energy: 0.5590160426874153
Energy: 0.6491508470227016
Energy: 0.5986033266576775
Energy: 0.6567526633195048
Energy: 0.5986033266583155
Energy: 0.656752663318867
Energy: 0.5986033266564016
Energy: 0.6567526633207809
Energy: 0.5230843288636313
Energy: 0.5929296078378482
Energy: 0.5230843288617173
Energy: 0.5929296078365722
Energy: 0.5230843288617173
Energy: 0.5929296078384861
Energy: 0.5715145547533702
Energy: 0.5809432204767698
Energy: 0.5715145547552841
Energy: 0.5809432204767698
Energy: 0.5715145547527322
Energy: 0.5809432204774078
Energy: 0.5695075694439576
Energy: 0.5542689970808535
Energy: 0.5695075694439576
Energy: 0.5542689970795776
Energy: 0.5695075694445956
Energy: 0.5542689970802156
Energy: 0.5317654544477902
Energy: 0.5289224788092152
Energy: 0.5317654544477902
Energy: 0.5289224788092152
Energy: 0.5317654544484283
Energy: 0.528922478808577
Energy: 0.6131418913625681
Energy: 0.5962916081864262
Energy: 0.6131418913619301
Energy: 0.5962916081864262
Energy: 0.6131418913619301
Energy: 0.5962916081864262
Energy: 0.586537120169241
Energy: 0.6177091167647263
Energy: 0.586537120170517
Energy: 0.6177091167640884
Energy: 0.586537120169241
Energy: 0.6177091167640884
Energy: 0.5508626944528241
Energy: 0.5595481358747653
Energy: 0.5508626944541001
Energy: 0.5595481358715753
Energy: 0.5508626944528241
Energy: 0.5595481358836968
Energy: 0.5446504898272677
Energy: 0.6252841121102439
Energy: 0.5446504898272677
Energy: 0.6252841121096059
Energy: 0.5446504898259916
Energy: 0.625284112108968
Energy: 0.5684110814129947
Energy: 0.5055206761753337
Energy: 0.5684110814123567
Energy: 0.5055206761536718
Energy: 0.5684110814123567
Energy: 0.5055206761606894
Energy: 0.5322228443203514
Energy: 0.5316746314322901
Energy: 0.5322228443197133
Energy: 0.5316746314322901
Energy: 0.5322228443229032
Energy: 0.5316746314310142
Energy: 0.6081659778427471
Energy: 0.672583954206764
Energy: 0.6081659778421091
Energy: 0.6725839542093159
Energy: 0.6081659778421091
Energy: 0.672583954207402
Energy: 0.5563717378790636
Energy: 0.5800321317626487
Energy: 0.5563717378784256
Energy: 0.5800321317626487
Energy: 0.5563717378784256
Energy: 0.5800321317620106
Energy: 0.5790640337323839
Energy: 0.5537953298564882
Energy: 0.579064033731746
Energy: 0.5537953298558501
Energy: 0.5790640337247572
Energy: 0.5537953298564882
Energy: 0.5709431836334637
Energy: 0.6666261566010716
Energy: 0.5709431836341017
Energy: 0.6666261566010716
Energy: 0.5709431836341017
Energy: 0.6666261566023477
Energy: 0.5607578868099192
Energy: 0.6249696987847458
Energy: 0.5607578868124711
Energy: 0.6249696987853838
Energy: 0.560757886813747
Energy: 0.6249696987847458
Energy: 0.5426427148144651
Energy: 0.5238971443674643
Energy: 0.5426427148131893
Energy: 0.5238971443629984
Energy: 0.5426427148151031
Energy: 0.52389714437193
Energy: 0.5108982086908381
Energy: 0.5986212904649667
Energy: 0.510898208693999
Energy: 0.5986212904643287
Energy: 0.5108982086914761
Energy: 0.5986212904643287
Energy: 0.6216480935783337
Energy: 0.5305422234634154
Energy: 0.6216480935808856
Energy: 0.5305422234634154
Energy: 0.6216480935815236
Energy: 0.5305422234634154
Energy: 0.6332735357757467
Energy: 0.5777188152897124
Energy: 0.6332735357763846
Energy: 0.5777188152909883
Energy: 0.6332735357757467
Energy: 0.5777188152890744
Energy: 0.6298386330965975
Energy: 0.6148944471514274
Energy: 0.6298386330972354
Energy: 0.6148944471527032
Energy: 0.6298386330959594
Energy: 0.6148944471539792
Energy: 0.5893491165004029
Energy: 0.590984416643005
Energy: 0.589349116499765
Energy: 0.5909844166391772
Energy: 0.589349116499127
Energy: 0.5909844166423671
Energy: 0.5551174110871934
Energy: 0.5556543890513093
Energy: 0.5551174110852795
Energy: 0.5556543890500333
Energy: 0.5551174110878313
Energy: 0.5556543890487573
Energy: 0.547185253338109
Energy: 0.5206971756630862
Energy: 0.547185253339385
Energy: 0.520697175665
Energy: 0.547185253337471
Energy: 0.5206971756637241
Energy: 0.5459071601196561
Energy: 0.5430061961618293
Energy: 0.5459071601209321
Energy: 0.5430061961631054
Energy: 0.5459071601215701
Energy: 0.5430061961592775
Energy: 0.5350117321603061
Energy: 0.5306543831449192
Energy: 0.535011732162858
Energy: 0.5306543831449192
Energy: 0.535011732161582
Energy: 0.5306543831436432
Energy: 0.5924115369667196
Energy: 0.642761929912765
Energy: 0.5924115369667196
Energy: 0.6427619299134031
Energy: 0.5924115369673576
Energy: 0.6427619299121271

minimum gb energy = 0.5055206761536718 eV
minimum distance =  2.24387984491134 Angstroms
sigma value = 57


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

Energy: 0.5315427249627905
Energy: 0.4878839760376972
Energy: 0.5315427249627905
Energy: 0.4878839760376972
Energy: 0.5315427249627905
Energy: 0.4878839760376972
Energy: 0.5612966989080088
Energy: 0.739692681353303
Energy: 0.5612966989057383
Energy: 0.7396926813544383
Energy: 0.5612966989068736
Energy: 0.7396926813555735
Energy: 0.6069582808401306
Energy: 0.7105323913766807
Energy: 0.6069582808401306
Energy: 0.7105323913766807
Energy: 0.6069582808378601
Energy: 0.7105323913766807
Energy: 0.5085691413308969
Energy: 0.9630032766015711
Energy: 0.5085691413308969
Energy: 0.9105126892053607
Energy: 0.5085691413308969
Energy: 0.9671684152292004
Energy: 0.6065959757370456
Energy: 0.7104849458593102
Energy: 0.6065959757370456
Energy: 0.7104849458604454
Energy: 0.6065959757370456
Energy: 0.7104849458593102
Energy: 0.5613960020284474
Energy: 0.6671081813991736
Energy: 0.5613960020295827
Energy: 0.6787203966657899
Energy: 0.5613960020307179
Energy: 0.6787203966623839
Energy: 0.5315427249639257
Energy: 0.4878839760433736
Energy: 0.5315427249639257
Energy: 0.48788397604450884
Energy: 0.531542724965061
Energy: 0.4878839760433736
Energy: 0.5612966989057383
Energy: 0.7396926813589795
Energy: 0.5612966988977913
Energy: 0.7396926813555735
Energy: 0.561296698904603
Energy: 0.7396926813578442
Energy: 0.6069582808378601
Energy: 0.7105323913755454
Energy: 0.6069582808389954
Energy: 0.7105323913755454
Energy: 0.6069582808378601
Energy: 0.7105323913766807
Energy: 0.5085691413331673
Energy: 0.9205619996811727
Energy: 0.508569141332032
Energy: 0.8409102402826613
Energy: 0.508569141332032
Energy: 0.8186653691839764
Energy: 0.6065959757403997
Energy: 0.7104849458604454
Energy: 0.606595975739316
Energy: 0.7104849458604454
Energy: 0.606595975741535
Energy: 0.7104849458604454
Energy: 0.5613960020398002
Energy: 0.538870876568833
Energy: 0.5613960020398002
Energy: 0.5388708765722389
Energy: 0.5613960020363944
Energy: 0.5388708765711037
Energy: 0.5315427249639257
Energy: 0.4878839760388325
Energy: 0.5315427249627905
Energy: 0.4878839760376972
Energy: 0.5315427249639257
Energy: 0.4878839760388325
Energy: 0.5612966989068736
Energy: 0.739692681353303
Energy: 0.5612966989023324
Energy: 0.7396926813567088
Energy: 0.5612966989011972
Energy: 0.7396926813544383
Energy: 0.6069582808389954
Energy: 0.7105323913766807
Energy: 0.6069582808412659
Energy: 0.7105323913766807
Energy: 0.6069582808401306
Energy: 0.7105323913766807
Energy: 0.5085691413308969
Energy: 0.9205619996800375
Energy: 0.5085691413308969
Energy: 0.8409102402769849
Energy: 0.5085691413297615
Energy: 0.7259584898197221
Energy: 0.6065959757370456
Energy: 0.7104849458593102
Energy: 0.6065959757370456
Energy: 0.7104849458593102
Energy: 0.606595975739316
Energy: 0.7104849458593102

minimum gb energy = 0.4878839760376972 eV
minimum distance =  2.23231428291172 Angstroms
sigma value = 9


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

Energy: 0.5446823965398675
Energy: 0.7331707026034068
Energy: 0.5446823965407944
Energy: 0.7331707026034068
Energy: 0.5446823965389406
Energy: 0.7331707026043338
Energy: 0.6006607072217617
Energy: 0.614495098478414
Energy: 0.6006607072226887
Energy: 0.6144950984793409
Energy: 0.6006607072291772
Energy: 0.6144950984802678
Energy: 0.7326885901093844
Energy: 0.5958884355134942
Energy: 0.721001331643795
Energy: 0.5958884355134942
Energy: 0.6966607974901123
Energy: 0.5958884355144212
Energy: 0.5211437535460527
Energy: 0.6947937734360171
Energy: 0.5211437535451258
Energy: 0.6947937734350903
Energy: 0.5211437535451258
Energy: 0.6947937734360171
Energy: 0.5788333820628602
Energy: 0.5912574157514044
Energy: 0.5788333820600794
Energy: 0.5912574157634548
Energy: 0.5788333820647141
Energy: 0.5912574157634548
Energy: 0.6314006509705397
Energy: 0.5266581555060069
Energy: 0.6314006509696127
Energy: 0.5266581555041531
Energy: 0.6314006509696127
Energy: 0.52665815550508
Energy: 0.5388747632065907
Energy: 0.6605928240091048
Energy: 0.5388747632056636
Energy: 0.6605928240072507
Energy: 0.5388747632056636
Energy: 0.6605928240081779
Energy: 0.6288685560017857
Energy: 0.5925892503019125
Energy: 0.6288685560036394
Energy: 0.5925892503019125
Energy: 0.6288685559990047
Energy: 0.5925892503019125
Energy: 0.6392735747436981
Energy: 0.594003218817775
Energy: 0.6392735747390634
Energy: 0.594003218816848
Energy: 0.6392735747409172
Energy: 0.594003218817775
Energy: 0.5434964723036374
Energy: 0.6681526868426122
Energy: 0.5434964723045643
Energy: 0.6681526868426122
Energy: 0.5434964723027105
Energy: 0.6681526868379775
Energy: 0.6163669281608518
Energy: 0.6137389052225661
Energy: 0.6163669281608518
Energy: 0.6137389052216392
Energy: 0.616366928158998
Energy: 0.6137389052234931
Energy: 0.673292300189374
Energy: 0.5457341303272054
Energy: 0.6732923001847393
Energy: 0.5457341303272054
Energy: 0.6732923001708351
Energy: 0.5457341303281322
Energy: 0.565271944636138
Energy: 0.5779975255729944
Energy: 0.5652719446370648
Energy: 0.5779975255729944
Energy: 0.5652719446379918
Energy: 0.5779975255739213
Energy: 0.5825627516415862
Energy: 0.651320375584583
Energy: 0.5825627516415862
Energy: 0.6513203755827293
Energy: 0.5825627516415862
Energy: 0.6513203755827293
Energy: 0.7401944233781649
Energy: 0.5171793213254906
Energy: 0.7401944233809459
Energy: 0.5171793213264176
Energy: 0.7373949140989773
Energy: 0.5171793213264176
Energy: 0.5698466172752672
Energy: 0.5930122953322208
Energy: 0.5698466172752672
Energy: 0.593012295330367
Energy: 0.5698466172743402
Energy: 0.5930122953312938
Energy: 0.5317278206221498
Energy: 0.5714873072401393
Energy: 0.5317278206221498
Energy: 0.5714873072401393
Energy: 0.5317278206202961
Energy: 0.5714873072419931
Energy: 0.7233153046304504
Energy: 0.53281424615794
Energy: 0.7233153046313774
Energy: 0.53281424615794
Energy: 0.7233153046313774
Energy: 0.53281424615794
Energy: 0.5916636915077075
Energy: 0.6588937783646064
Energy: 0.5916636915086345
Energy: 0.6588937783646064
Energy: 0.5916636915077075
Energy: 0.6588937783655333
Energy: 0.5633756647374933
Energy: 0.6496359323201384
Energy: 0.5633756647356395
Energy: 0.6496359323219923
Energy: 0.5633756647374933
Energy: 0.6496359323257
Energy: 0.6655802839541985
Energy: 0.5612701475539171
Energy: 0.6655802839551254
Energy: 0.5612701475539171
Energy: 0.6655802839532715
Energy: 0.5612701475539171

minimum gb energy = 0.5171793213254906 eV
minimum distance =  2.26125460161066 Angstroms
sigma value = 27


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

Energy: 0.4563523966060929
Energy: 0.7840671555121886
Energy: 0.4563523966045302
Energy: 0.7840671555121886
Energy: 0.4563523966068742
Energy: 0.7840671555114072
Energy: 0.6387712738500043
Energy: 0.46800988151371775
Energy: 0.6387712738492228
Energy: 0.46800988151528033
Energy: 0.6387712738492228
Energy: 0.46800988151215495
Energy: 0.5394596435155637
Energy: 0.6116594964878187
Energy: 0.5394596435147825
Energy: 0.6116594964839119
Energy: 0.5394596435140012
Energy: 0.6116594964870375
Energy: 0.470805509331921
Energy: 0.5613035186428696
Energy: 0.470805509331921
Energy: 0.5613035186428696
Energy: 0.4708055093334838
Energy: 0.5613035186444323
Energy: 0.5446833264250281
Energy: 0.7197756212894652
Energy: 0.5446833264234655
Energy: 0.7197756212894652
Energy: 0.5446833264250281
Energy: 0.7197756212894652
Energy: 0.7929389701145887
Energy: 0.3938227086744044
Energy: 0.7929389701145887
Energy: 0.39382270867362307
Energy: 0.7929389701145887
Energy: 0.3938227086720603
Energy: 0.48056110006560054
Energy: 0.610691494468518
Energy: 0.48056110006638186
Energy: 0.610691494468518
Energy: 0.4805611000640378
Energy: 0.610691494468518
Energy: 0.5102754065682369
Energy: 0.49240272649575756
Energy: 0.5102754065690184
Energy: 0.49240272649575756
Energy: 0.5102754065666743
Energy: 0.49240272649575756
Energy: 0.6543429421428976
Energy: 0.45980036856748663
Energy: 0.6543429421444602
Energy: 0.4598003685667053
Energy: 0.6543429421421163
Energy: 0.4598003685682325
Energy: 0.45624208919310444
Energy: 0.669260844748075
Energy: 0.45624208919388576
Energy: 0.669260844748075
Energy: 0.45624208919388576
Energy: 0.6692608447488564
Energy: 0.4563456580604562
Energy: 0.573278108906798
Energy: 0.4563456580604562
Energy: 0.5732781089060166
Energy: 0.4563456580612376
Energy: 0.5732781089060166
Energy: 0.6168532555218795
Energy: 0.45683045264836464
Energy: 0.6168532555218795
Energy: 0.45683045264836464
Energy: 0.6168532555242235
Energy: 0.4568304526475832
Energy: 0.5564284174233229
Energy: 0.49311731927793917
Energy: 0.5564284174225416
Energy: 0.49311731927793917
Energy: 0.5564284174225416
Energy: 0.4931173192787205
Energy: 0.48033562788446044
Energy: 0.6867812335341723
Energy: 0.48033562788524187
Energy: 0.6867812335333909
Energy: 0.48033562788446044
Energy: 0.6867812335341723
Energy: 0.7991137862100972
Energy: 0.3936746464434706
Energy: 0.7991137862100972
Energy: 0.3936746464450333
Energy: 0.7991137862100972
Energy: 0.3936746464434706
Energy: 0.5273373617199001
Energy: 0.719806967206793
Energy: 0.5273373617191188
Energy: 0.719806967206793
Energy: 0.5273373617206815
Energy: 0.719806967206793
Energy: 0.4760970711551398
Energy: 0.5387694670524702
Energy: 0.47609707115435845
Energy: 0.5387694670524702
Energy: 0.47609707115592115
Energy: 0.5387694670524702
Energy: 0.4903288728034732
Energy: 0.6467819157753004
Energy: 0.4903288728034732
Energy: 0.6467819157737378
Energy: 0.4903288728026918
Energy: 0.6467819157729563
Energy: 0.6789547119957021
Energy: 0.4831402208742991
Energy: 0.6789547119949207
Energy: 0.4831402208735178
Energy: 0.6789547119949207
Energy: 0.4831402208735178
Energy: 0.4563523966037489
Energy: 0.7840671555200021
Energy: 0.4563523966021862
Energy: 0.7840671555200021
Energy: 0.4563523966037489
Energy: 0.7840671555200021
Energy: 0.6387712738398467
Energy: 0.46800988150590417
Energy: 0.6387712738414093
Energy: 0.46800988151059225
Energy: 0.6387712738414093
Energy: 0.4680098815113736
Energy: 0.5394596435077503
Energy: 0.6116594964878187
Energy: 0.5394596435077503
Energy: 0.6116594964846934
Energy: 0.5394596435061876
Energy: 0.6116594964854748
Energy: 0.47080550933895315
Energy: 0.5613035186530272
Energy: 0.4708055093373904
Energy: 0.5613035186522457
Energy: 0.4708055093381719
Energy: 0.5613035186514644
Energy: 0.5446833264265908
Energy: 0.7197756212863398
Energy: 0.5446833264265908
Energy: 0.7197756212863398
Energy: 0.5446833264265908
Energy: 0.7197756212863398
Energy: 0.7929389701138073
Energy: 0.3938227086744044
Energy: 0.7929389701145887
Energy: 0.39382270867362307
Energy: 0.7929389701138073
Energy: 0.3938227086751857

minimum gb energy = 0.3936746464434706 eV
minimum distance =  2.3521404287702 Angstroms
sigma value = 19


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

Energy: 0.4934628014873452
Energy: 0.6433901056240284
Energy: 0.4934628014873452
Energy: 0.6433901056240284
Energy: 0.49346280148667077
Energy: 0.6433901056247028
Energy: 0.6348305801423022
Energy: 0.5950671377335313
Energy: 0.6348305801429767
Energy: 0.5950671377342058
Energy: 0.6348305801423022
Energy: 0.5950671377342058
Energy: 0.6685985426007454
Energy: 0.5281957827187685
Energy: 0.6929563977051275
Energy: 0.5281957827194429
Energy: 0.631689206714346
Energy: 0.5281957827194429
Energy: 0.5163598193599459
Energy: 0.6647359338678878
Energy: 0.5163598193626437
Energy: 0.6647359338665388
Energy: 0.5163598193626437
Energy: 0.6647359338678878
Energy: 0.6171478527119492
Energy: 0.5167504709078633
Energy: 0.6171478527126237
Energy: 0.5167504709065143
Energy: 0.6171478527126237
Energy: 0.5167504709085377
Energy: 0.7052606207076169
Energy: 0.5444531007059308
Energy: 0.7052606207055935
Energy: 0.5444531007059308
Energy: 0.705260620706268
Energy: 0.5444531007052563
Energy: 0.585783067398671
Energy: 0.6374133174338503
Energy: 0.585783067398671
Energy: 0.6374133174338503
Energy: 0.5857830674006944
Energy: 0.6374133174345248
Energy: 0.6014586598918071
Energy: 0.6191215016315553
Energy: 0.6014586598945051
Energy: 0.6191215016322298
Energy: 0.6014586598911327
Energy: 0.6191215016315553
Energy: 0.7170108003936496
Energy: 0.5530891823317047
Energy: 0.7170108003936496
Energy: 0.5530891823337281
Energy: 0.7170108003929752
Energy: 0.5530891823323792
Energy: 0.5462575755102111
Energy: 0.5948921584781885
Energy: 0.5462575755102111
Energy: 0.5948921584775141
Energy: 0.5462575755102111
Energy: 0.594892158478863
Energy: 0.5506743698919366
Energy: 0.6693971770234934
Energy: 0.5506743698993557
Energy: 0.6693971770228188
Energy: 0.5506743698953089
Energy: 0.6693971770234934
Energy: 0.6820012465680013
Energy: 0.529022716365511
Energy: 0.6820012465680013
Energy: 0.529022716365511
Energy: 0.6820012465680013
Energy: 0.529022716365511
Energy: 0.5405781439930852
Energy: 0.5442829473933362
Energy: 0.5405781439944343
Energy: 0.5442829473919872
Energy: 0.5405781439930852
Energy: 0.5442829473919872
Energy: 0.5131121339826933
Energy: 0.7136458494328108
Energy: 0.5131121339833677
Energy: 0.7136458494307875
Energy: 0.5131121339833677
Energy: 0.7136458494307875
Energy: 0.6062692854617825
Energy: 0.5636053764633038
Energy: 0.6062692854611079
Energy: 0.5636053764626291
Energy: 0.6062692854611079
Energy: 0.5636053764633038
Energy: 0.6629823655652393
Energy: 0.544997410211136
Energy: 0.6629823655638903
Energy: 0.5449974102104616
Energy: 0.6629823655652393
Energy: 0.5449974102104616
Energy: 0.5258149431865082
Energy: 0.6718559808391177
Energy: 0.5258149431858337
Energy: 0.6718559808377689
Energy: 0.5258149431892061
Energy: 0.6718559808391177
Energy: 0.6014824303655477
Energy: 0.565489602447559
Energy: 0.6014824303641988
Energy: 0.5654896024482028
Energy: 0.6014824303655477
Energy: 0.565489602447559
Energy: 0.717943953769802
Energy: 0.5173936594367072
Energy: 0.717943953769802
Energy: 0.5173936594367072
Energy: 0.7355808556890029
Energy: 0.517393659438056
Energy: 0.5529929184554018
Energy: 0.6398117758863179
Energy: 0.5529929184540529
Energy: 0.6398117758869923
Energy: 0.5529929184540529
Energy: 0.6398117758869923
Energy: 0.609641280534137
Energy: 0.5883755637525577
Energy: 0.6096412805348117
Energy: 0.5883755637532322
Energy: 0.609641280534137
Energy: 0.5883755637518834
Energy: 0.6936335181565593
Energy: 0.5423009583052752
Energy: 0.6936335181565593
Energy: 0.5423009583039262
Energy: 0.6936335181558848
Energy: 0.5423009583039262
Energy: 0.5044807478420886
Energy: 0.5800987131126482
Energy: 0.5044807478434375
Energy: 0.5800987131133228
Energy: 0.5044807478420886
Energy: 0.5800987131126482
Energy: 0.49777801424741386
Energy: 0.6306838648180746
Energy: 0.4977780142319015
Energy: 0.630683864818749
Energy: 0.4977780141894416
Energy: 0.630683864818749
Energy: 0.6758475981302704
Energy: 0.5157362320691218
Energy: 0.6758475981302704
Energy: 0.5157362320684474
Energy: 0.675847598129596
Energy: 0.5157362320684474
Energy: 0.5508526080200957
Energy: 0.5573337675913221
Energy: 0.5508526080207703
Energy: 0.5573337675913221
Energy: 0.5508526080207703
Energy: 0.5573337675913221
Energy: 0.6009212886646617
Energy: 0.7181041862952487
Energy: 0.6009212886646617
Energy: 0.7181041862959232
Energy: 0.6009212886633127
Energy: 0.7181041862945742
Energy: 0.6073251564727855
Energy: 0.5214882159695214
Energy: 0.60732515647346
Energy: 0.5214882159688471
Energy: 0.6073251564721109
Energy: 0.5214882159688471
Energy: 0.6039999335104981
Energy: 0.46523525900943297
Energy: 0.6039999335104981
Energy: 0.46523525901347956
Energy: 0.6039999335111726
Energy: 0.46523525900943297

minimum gb energy = 0.46523525900943297 eV
minimum distance =  2.27753227621658 Angstroms
sigma value = 101


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

Energy: 0.5805134067685124
Energy: 0.6722119897042046
Energy: 0.5805134067667337
Energy: 0.6722119897036117
Energy: 0.5805134067685124
Energy: 0.6722119897042046
Energy: 0.5269883312126672
Energy: 0.6279270164521804
Energy: 0.5269883312144458
Energy: 0.6279270164557377
Energy: 0.5269883312144458
Energy: 0.59093475924715
Energy: 0.6684282102007015
Energy: 0.5254501648585381
Energy: 0.6684282101989228
Energy: 0.5254501648585381
Energy: 0.6684282102001087
Energy: 0.5254501648585381
Energy: 0.6195751631201224
Energy: 0.7319083564646346
Energy: 0.6195751631177508
Energy: 0.7550483873795406
Energy: 0.6195751631213082
Energy: 0.6564824623152171
Energy: 0.58001153376635
Energy: 0.6321405141574793
Energy: 0.5800115337645713
Energy: 0.6321405141598508
Energy: 0.580011533765757
Energy: 0.6321405141598508
Energy: 0.717079857778424
Energy: 0.586221431567974
Energy: 0.7170798577819812
Energy: 0.586221431567974
Energy: 0.7170798577802027
Energy: 0.5862214315685669
Energy: 0.5785026704556174
Energy: 0.6625280093286513
Energy: 0.5785026704562102
Energy: 0.662528009325094
Energy: 0.5785026704562102
Energy: 0.6625280093339871
Energy: 0.6091721416675944
Energy: 0.7093550553924151
Energy: 0.6091721416675944
Energy: 0.7179105303620343
Energy: 0.6091721416681872
Energy: 0.7200250710028233
Energy: 0.6534560417366146
Energy: 0.5247609585221319
Energy: 0.6534560417424896
Energy: 0.5247609585221319
Energy: 0.6534560417418966
Energy: 0.5247609585227248
Energy: 0.6099929300883506
Energy: 0.6491032365252838
Energy: 0.6099929300889435
Energy: 0.6236582659638107
Energy: 0.6099929300895364
Energy: 0.6236582659549714
Energy: 0.6202527627994726
Energy: 0.7505455735330077
Energy: 0.6202527627982869
Energy: 0.7505455735324147
Energy: 0.6202527627994726
Energy: 0.7505455735324147
Energy: 0.5703971849252278
Energy: 0.6460874580866366
Energy: 0.5703971849281921
Energy: 0.6091975228633628
Energy: 0.5703971849275993
Energy: 0.609197522872256
Energy: 0.6406245490636813
Energy: 0.49388546955672524
Energy: 0.6406245490660528
Energy: 0.49388546955672524
Energy: 0.6406245490642742
Energy: 0.49388546955672524
Energy: 0.5263543901710735
Energy: 0.6983028536441346
Energy: 0.5263543901657376
Energy: 0.733133791706834
Energy: 0.5263543901669233
Energy: 0.7224994202744406
Energy: 0.5020587724158756
Energy: 0.5312184701515927
Energy: 0.5020587724152827
Energy: 0.5312184701504069
Energy: 0.5020587724152827
Energy: 0.531218470154557
Energy: 0.7241625655271703
Energy: 0.5364638601481246
Energy: 0.724162565533692
Energy: 0.5364638601475318
Energy: 0.7241625655384349
Energy: 0.5364638601475318
Energy: 0.6110019682679828
Energy: 0.6771662184489062
Energy: 0.6110019682679828
Energy: 0.6771662184483135
Energy: 0.6110019682679828
Energy: 0.6771662184489062
Energy: 0.5846594953350042
Energy: 0.6376522266554486
Energy: 0.5846594953355971
Energy: 0.6376522266554486
Energy: 0.5846594953350042
Energy: 0.6376522266560417
Energy: 0.7141366593281888
Energy: 0.542904601174001
Energy: 0.7141366593270031
Energy: 0.542904601174001
Energy: 0.7141366593293746
Energy: 0.542904601174001
Energy: 0.5715072554078162
Energy: 0.6296942966133411
Energy: 0.5715072554060375
Energy: 0.629694296613934
Energy: 0.5715072554060375
Energy: 0.6296942966133411
Energy: 0.6090730797795153
Energy: 0.7617588824972735
Energy: 0.6090730797783295
Energy: 0.7617588824966808
Energy: 0.609073079780108
Energy: 0.7617588824960878
Energy: 0.5331031392177498
Energy: 0.5318879786043159
Energy: 0.5331031392189356
Energy: 0.5318879786025373
Energy: 0.5331031392195283
Energy: 0.5318879786043159
Energy: 0.586184110940215
Energy: 0.577293791578179
Energy: 0.586184110940215
Energy: 0.577293791578179
Energy: 0.5861841109425865
Energy: 0.577293791577586
Energy: 0.6216134800963138
Energy: 0.8513382383384419
Energy: 0.6216134800963138
Energy: 0.8561391165659845
Energy: 0.6216134800957208
Energy: 0.7663520467667827
Energy: 0.5432923494939057
Energy: 0.5541501940849595
Energy: 0.5432923494944986
Energy: 0.5541501940861452
Energy: 0.5432923494950914
Energy: 0.554150194086738
Energy: 0.623448743628244
Energy: 0.559431315939846
Energy: 0.623448743628244
Energy: 0.5594313159392532
Energy: 0.6234487436329871
Energy: 0.5594313159368817
Energy: 0.5199027443656539
Energy: 0.6346191227540321
Energy: 0.5199027443757327
Energy: 0.634619122754625
Energy: 0.5199027443727683
Energy: 0.6346191227540321
Energy: 0.4992879306190731
Energy: 0.5888489188366757
Energy: 0.499287930619666
Energy: 0.5888489188354898
Energy: 0.49928793062139076
Energy: 0.5888489188360828
Energy: 0.7548802253328092
Energy: 0.5223019522941137
Energy: 0.7548802253328092
Energy: 0.5223019522935208
Energy: 0.754880225333402
Energy: 0.5223019522947067
Energy: 0.5670404314296152
Energy: 0.6867376932723255
Energy: 0.5670404314296152
Energy: 0.6867376932711398
Energy: 0.5670404314296152
Energy: 0.6867376932723255
Energy: 0.6111828611875866
Energy: 0.6994563142532043
Energy: 0.6111828611875866
Energy: 0.6994563142526115
Energy: 0.6111828611875866
Energy: 0.6994563142520187
Energy: 0.6317324407682505
Energy: 0.5583772050227082
Energy: 0.6317324407688435
Energy: 0.5583772050233009
Energy: 0.6317324407670648
Energy: 0.5583772050233009
Energy: 0.5123109639789872
Energy: 0.5684446307839325
Energy: 0.5123109639772087
Energy: 0.5684446307845253
Energy: 0.5123109639789872
Energy: 0.5684446307839325

minimum gb energy = 0.49388546955672524 eV
minimum distance =  2.26451046028213 Angstroms
sigma value = 33


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

Energy: 0.019435936251817696
Energy: 0.5221031499351317
Energy: 0.019435936252775534
Energy: 0.5221031499355969
Energy: 0.019435936252282935
Energy: 0.5221031499355969
Energy: 0.019489917068221976
Energy: 0.2071273053293943
Energy: 0.019489917068221976
Energy: 0.20712730532652085
Energy: 0.019489917068221976
Energy: 0.20712730532747867
Energy: 1.7241355610414106
Energy: 0.9384411105832229
Energy: 1.9329701085940043
Energy: 0.9384411105832229
Energy: 1.8580122158266432
Energy: 0.9384411105832229
Energy: 0.019489917063870658
Energy: 0.20712730532843648
Energy: 0.019489917064828496
Energy: 0.20712730532843648
Energy: 0.019489917063405426
Energy: 0.20712730533084475

minimum gb energy = 0.019435936251817696 eV
minimum distance =  2.28103201126357 Angstroms
sigma value = 1