Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999177455902
cohesive_energy=3.3532637165796326
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.012652955605370518
Energy: 0.29093509132076767
Energy: 0.7948826241691973
Energy: 0.2909007634349761
Energy: 0.012652955604781161
Energy: 0.29093509132056367
Energy: 0.6423141524529878
Energy: 0.42522732520867834
Energy: 0.012823762349312649
Energy: 0.1015140794023151
Energy: 0.012828091613878876
Energy: 0.42522732520867834
Energy: 0.01282376234851928
Energy: 0.1015140794023151
Energy: 0.012652955605370518
Energy: 0.29093509132056367
Energy: 0.794882624168608
Energy: 0.2909007634349761
Energy: 0.012652955604781161
Energy: 0.29093509132076767
Energy: 0.6423141524529878
Energy: 0.42522732520867834
Energy: 0.01282376234910864
Energy: 0.1015140794023151
Energy: 0.01282809161469491
Energy: 0.42522732520867834
Energy: 0.012823762348315271
Energy: 0.1015140794023151
Energy: 0.012652955605370518
Energy: 0.29093509132056367
Energy: 0.5089125022438347
Energy: 0.29090076343477217
Energy: 0.012652955604781161
Energy: 0.29093509132076767
Energy: 0.6423141524527839
Energy: 0.42522732520867834
Energy: 0.012823762349312649
Energy: 0.1015140794023151
Energy: 0.012828091614490902
Energy: 0.42522732520867834
Energy: 0.012823762348111264
Energy: 0.1015140794023151

minimum gb energy = 0.012652955604781161 eV
minimum distance =  2.83297767560923 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: 0.7035204685067431
Energy: 0.7145182605937711
Energy: 0.7034433799031419
Energy: 0.6798219537122668
Energy: 0.7035204685067431
Energy: 0.7082429465775345
Energy: 0.6588315032751153
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Energy: 0.6676975835844136
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Energy: 0.725266136396476
Energy: 0.7108462377531121
Energy: 0.6466105369528093
Energy: 0.7302122079353596
Energy: 0.6797813746640166
Energy: 0.7108462377531121
Energy: 0.6466105369528093
Energy: 0.7302122079377966
Energy: 0.661819232631047
Energy: 0.6609307296114165
Energy: 0.7434801603659417
Energy: 0.6809264198189935
Energy: 0.661819232631047
Energy: 0.6609307296114165
Energy: 0.7434801603683787
Energy: 0.6408469130910361
Energy: 0.6619725589146032
Energy: 0.7390820925096603
Energy: 0.6452827176413266
Energy: 0.6408469130959101
Energy: 0.6619725589146032
Energy: 0.7390820925023492
Energy: 0.6347510530962882
Energy: 0.6745516029200644
Energy: 0.770239901754056
Energy: 0.6858884670621536
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Energy: 0.6967960123853115
Energy: 0.632096958925279
Energy: 0.6341353023982673
Energy: 0.6740381354704578
Energy: 0.6967960123853115

minimum gb energy = 0.6297392478762106 eV
minimum distance =  2.4842090721772 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.627633135859569
Energy: 0.669563204318779
Energy: 0.726099066928684
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Energy: 0.6568351085588164
Energy: 0.7251014571180674
Energy: 0.6691771708691553
Energy: 0.6592792961043024
Energy: 0.7250649307430304
Energy: 0.6567921392604678
Energy: 0.6691771708636227
Energy: 0.6592792961040005
Energy: 0.7250649307416221
Energy: 0.6697587648320266
Energy: 0.6581771508777957
Energy: 0.7141775653136113
Energy: 0.6565876471488966
Energy: 0.6697587648317247
Energy: 0.6581771508783489
Energy: 0.7141775653171822
Energy: 0.6667531456838859
Energy: 0.6582663313344193
Energy: 0.7127309912940795
Energy: 0.6573171199013276
Energy: 0.6667531456838859
Energy: 0.6582663313300435
Energy: 0.7127309912932749
Energy: 0.6559049856521618
Energy: 0.6600812490769994
Energy: 0.7402921081398927
Energy: 0.6564935569239151
Energy: 0.6559049856521618
Energy: 0.660081249080017
Energy: 0.7402921081398927
Energy: 0.6702925741289809
Energy: 0.6551638636722008
Energy: 0.7155654225394483
Energy: 0.6565253504880165
Energy: 0.6702925741311939
Energy: 0.6551638636719493
Energy: 0.7155654225361288
Energy: 0.6546935333835068
Energy: 0.661552237061168
Energy: 0.7095383825217758
Energy: 0.6762678982448375
Energy: 0.6546935333846134
Energy: 0.6615522370609164
Energy: 0.7095383825195629
Energy: 0.6276331358592672
Energy: 0.669563204318779
Energy: 0.726099066928684
Energy: 0.668557855761318
Energy: 0.6276331358576075
Energy: 0.6695632043179239
Energy: 0.7260990669308969
Energy: 0.6547455733677734
Energy: 0.6762309315371297
Energy: 0.7340890973039874
Energy: 0.6617803213917544
Energy: 0.6547455733708415
Energy: 0.6762309315373812
Energy: 0.7340890973015229

minimum gb energy = 0.627633135857356 eV
minimum distance =  2.48641767843762 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.6954075041355768
Energy: 0.6955679504059927
Energy: 0.7685629133674652
Energy: 0.7107391809115928
Energy: 0.6954075041355768
Energy: 0.6955679504059927
Energy: 0.7750704623745391
Energy: 0.7170826628167314
Energy: 0.6873050023061974
Energy: 0.7250341725371489
Energy: 0.7040301840480957
Energy: 0.7170826628167314
Energy: 0.6873050023061974
Energy: 0.7250341725371489
Energy: 0.6779219849888852
Energy: 0.6772205767060574
Energy: 0.7541967302554197
Energy: 0.667872263214431
Energy: 0.6779219849888852
Energy: 0.6772205767060574
Energy: 0.7425293343798937
Energy: 0.6620798595298177
Energy: 0.661471480406662
Energy: 0.7262704154571126
Energy: 0.685022586195456
Energy: 0.6620798595294983
Energy: 0.661471480406662
Energy: 0.7262704154571126
Energy: 0.6771082884140461
Energy: 0.6794817931574033
Energy: 0.7457287967808127
Energy: 0.6910127748917942
Energy: 0.6771082884140461
Energy: 0.6794817931574033
Energy: 0.7445896712818871
Energy: 0.682161302411
Energy: 0.679131721813245
Energy: 0.715389773353169
Energy: 0.6772684747309478
Energy: 0.682161302411
Energy: 0.679131721813245
Energy: 0.715389773353169
Energy: 0.6821809734029125
Energy: 0.7179006609020413
Energy: 0.7042060392996345
Energy: 0.6853065928002574
Energy: 0.6821809734032318
Energy: 0.7179006609020413
Energy: 0.704206039299954
Energy: 0.7051615982614623
Energy: 0.6693930557807257
Energy: 0.7445993509155007
Energy: 0.6657787134153182
Energy: 0.7051615982614623
Energy: 0.6693930557807257
Energy: 0.7445993509151813
Energy: 0.6781947274824788
Energy: 0.6627721210692376
Energy: 0.7214298801402086
Energy: 0.6703609935961546
Energy: 0.6781947274824788
Energy: 0.662772121068918
Energy: 0.7214298801398892
Energy: 0.6913129934426068
Energy: 0.7002669125317774
Energy: 0.7366908578402769
Energy: 0.7285759205535965
Energy: 0.6913129934426068
Energy: 0.7002669125317774
Energy: 0.7366908578402769
Energy: 0.6914176698336103
Energy: 0.712687005674966
Energy: 0.711557374808621
Energy: 0.6608391591450485
Energy: 0.6914176698336103
Energy: 0.712687005674966
Energy: 0.711557374808621
Energy: 0.6790442522982941
Energy: 0.7033060286747883
Energy: 0.7497764023263683
Energy: 0.6831500222248041
Energy: 0.6790442522982941
Energy: 0.7033060286747883
Energy: 0.7497764023263683
Energy: 0.6975126069378718
Energy: 0.7199909224207953
Energy: 0.7354367919480441
Energy: 0.6742396490977143
Energy: 0.6975126069375523
Energy: 0.7199909224207953
Energy: 0.7354367919480441
Energy: 0.6649487844321414
Energy: 0.6768537961089779
Energy: 0.7465561484208393
Energy: 0.6681708366655973
Energy: 0.664948784432461
Energy: 0.6768537961086585
Energy: 0.7465561484205198
Energy: 0.6865446329068028
Energy: 0.6621838191995154
Energy: 0.7314624655733387
Energy: 0.6998251328326915
Energy: 0.6865446329068028
Energy: 0.6621838191995154
Energy: 0.7314624655733387
Energy: 0.6844398094126874
Energy: 0.6825947466262566
Energy: 0.7111259164568011
Energy: 0.6900693109567582
Energy: 0.684439809412368
Energy: 0.6825947466259372
Energy: 0.7111259164564817
Energy: 0.6914917098352418
Energy: 0.6800234740120706
Energy: 0.7152828191020475
Energy: 0.6712273478636196
Energy: 0.6914917098352418
Energy: 0.6800234740117513
Energy: 0.7152828191020475
Energy: 0.6920093984085746
Energy: 0.7170652709125389
Energy: 0.7648247032093508
Energy: 0.6991669268913571
Energy: 0.6920093984085746
Energy: 0.7170652709125389
Energy: 0.7648247032090314
Energy: 0.6773705266775176
Energy: 0.6716947886877777
Energy: 0.7048074386745365
Energy: 0.6660532614469675
Energy: 0.6773705266775176
Energy: 0.6716947886877777
Energy: 0.704807438674856
Energy: 0.6926484071725146
Energy: 0.6592833460351736
Energy: 0.7357625836360024
Energy: 0.6693548127263981
Energy: 0.6926484071725146
Energy: 0.6592833460351736
Energy: 0.7357625836360024
Energy: 0.6888221443610613
Energy: 0.6949683677954206
Energy: 0.7031601846360966
Energy: 0.7281910430877847
Energy: 0.6888221443610613
Energy: 0.6949683677954206
Energy: 0.7031601846360966
Energy: 0.6770749065095794
Energy: 0.7058478749579735
Energy: 0.7210869771263652
Energy: 0.6588133040300685
Energy: 0.6770749065092599
Energy: 0.7058478749576541
Energy: 0.7210869771266846
Energy: 0.6768921620544334
Energy: 0.6868978296169881
Energy: 0.7293604860896736
Energy: 0.6790935727449929
Energy: 0.6768921620544334
Energy: 0.6868978296169881
Energy: 0.7293604860896736
Energy: 0.6692608862092331
Energy: 0.6985994379529895
Energy: 0.7225300844478529
Energy: 0.6775613077801322
Energy: 0.6692608862089137
Energy: 0.6985994379529895
Energy: 0.7225300844478529
Energy: 0.6874893590266589
Energy: 0.6827329430893064
Energy: 0.7600308834079382
Energy: 0.6723105014292606
Energy: 0.6874893590263393
Energy: 0.6827329430896258
Energy: 0.7600308834082576
Energy: 0.7146845363720471
Energy: 0.712651687709137
Energy: 0.7259866109154608
Energy: 0.67038411820994
Energy: 0.7146845363720471
Energy: 0.712651687709137
Energy: 0.7259866109154608
Energy: 0.721549660334889
Energy: 0.6951309338975807
Energy: 0.7655415969612724
Energy: 0.6915403731065752
Energy: 0.721549660334889
Energy: 0.6951309338975807
Energy: 0.7655415969612724
Energy: 0.693184925253245
Energy: 0.6798460047486072
Energy: 0.7311992130587861
Energy: 0.733280000999309
Energy: 0.693184925253245
Energy: 0.6798460047486072
Energy: 0.7311992130587861
Energy: 0.6875753538950302
Energy: 0.680232767193619
Energy: 0.7546576161740018
Energy: 0.6855105038099375
Energy: 0.6875753538950302
Energy: 0.6802327671932995
Energy: 0.7546576161740018
Energy: 0.6784602370883434
Energy: 0.662782480555561
Energy: 0.7330480834245235
Energy: 0.691632491404726
Energy: 0.6784602370883434
Energy: 0.6627824805552417
Energy: 0.7330480834251624
Energy: 0.6951689144170501
Energy: 0.6786690754845398
Energy: 0.725371769798058
Energy: 0.6800439622585605
Energy: 0.6951689144170501
Energy: 0.6786690754845398
Energy: 0.7253717697970996
Energy: 0.6903042912459217
Energy: 0.6586927174135647
Energy: 0.7055257000480756
Energy: 0.6769952261714971
Energy: 0.6903042912459217
Energy: 0.6586927174138841
Energy: 0.7055257000480756
Energy: 0.672541284224178
Energy: 0.7223172598539847
Energy: 0.702347181029165
Energy: 0.6942169602166868
Energy: 0.672541284224178
Energy: 0.7223172598539847
Energy: 0.7023471810294846
Energy: 0.6831062112545853
Energy: 0.6754584848772076
Energy: 0.75124816660562
Energy: 0.6831038369602729
Energy: 0.6831062112545853
Energy: 0.6754584848775269
Energy: 0.75124816660562
Energy: 0.6701226779287609
Energy: 0.6787560603467014
Energy: 0.7407041699570422
Energy: 0.691809835796684
Energy: 0.6701226779287609
Energy: 0.6787560603463819
Energy: 0.7407041699570422
Energy: 0.6874513180580577
Energy: 0.7002425637707423
Energy: 0.7361670714284521
Energy: 0.7076022758853345
Energy: 0.6874513180580577
Energy: 0.7002425637707423
Energy: 0.7361670714284521

minimum gb energy = 0.6586927174135647 eV
minimum distance =  2.41626758041168 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.6884376446997824
Energy: 0.7050511366749828
Energy: 0.6711962395892475
Energy: 0.7068990579177816
Energy: 0.6884376446997824
Energy: 0.7050511366746058
Energy: 0.6953351093493253
Energy: 0.704728482027993
Energy: 0.6774137057961184
Energy: 0.6810621856218192
Energy: 0.6837681347012725
Energy: 0.704728482027993
Energy: 0.6774137057961184
Energy: 0.6810621856218192
Energy: 0.6883159860372254
Energy: 0.6814669708477533
Energy: 0.6903771444977775
Energy: 0.6827011399886952
Energy: 0.6883159860372254
Energy: 0.6814669708492611
Energy: 0.6903771444977775
Energy: 0.6906708113511113
Energy: 0.6646549314327365
Energy: 0.7258835569404799
Energy: 0.6825924093874682
Energy: 0.6906708113511113
Energy: 0.6646549314323594
Energy: 0.7258835569393489
Energy: 0.690911200016053
Energy: 0.6574731415000403
Energy: 0.6755401267996154
Energy: 0.6828349537801833
Energy: 0.690911200016053
Energy: 0.6574731415000403
Energy: 0.6755401267996154
Energy: 0.6907318342667935
Energy: 0.6638890536302295
Energy: 0.6487928132640879
Energy: 0.6771839014645773
Energy: 0.6907318342664166
Energy: 0.6638890536302295
Energy: 0.6487928132644648
Energy: 0.7244812374181837
Energy: 0.6577504751312079
Energy: 0.6662548871405857
Energy: 0.6668557460214926
Energy: 0.7244812374181837
Energy: 0.6577504751319619
Energy: 0.6673379703233697
Energy: 0.6912406242923511
Energy: 0.6815700493714792
Energy: 0.6918711442008503
Energy: 0.6815537929256895
Energy: 0.6912406242927283
Energy: 0.6815700493733641
Energy: 0.6918711442008503
Energy: 0.7245281629911926
Energy: 0.6665401701737894
Energy: 0.6793607279302869
Energy: 0.6575461971839414
Energy: 0.7245281629911926
Energy: 0.6665401701741662
Energy: 0.6785620095637956
Energy: 0.690718353807249
Energy: 0.6776934937636391
Energy: 0.64879409037005
Energy: 0.6648843778947315
Energy: 0.6907183538076259
Energy: 0.6776934937636391
Energy: 0.648794090369673
Energy: 0.6908629068638555
Energy: 0.6830596921744575
Energy: 0.7791903855266065
Energy: 0.6573366046377639
Energy: 0.6908629068638555
Energy: 0.6830596921744575
Energy: 0.7771418010989483
Energy: 0.6906944007328428
Energy: 0.6823668930699878
Energy: 0.7260093080661826
Energy: 0.6646469293285754
Energy: 0.6906944007328428
Energy: 0.6823668930699878
Energy: 0.7260093080658057
Energy: 0.6883758890379625
Energy: 0.6829300677931242
Energy: 0.7178485883219696
Energy: 0.6814653177784564
Energy: 0.6883758890383395
Energy: 0.6829300677927472
Energy: 0.7477253819496992
Energy: 0.7046748583388306
Energy: 0.6830890782542851
Energy: 0.682285866173142
Energy: 0.6774266511629532
Energy: 0.7046748583392075
Energy: 0.6830890782542851
Energy: 0.682285866173142
Energy: 0.6884376447001594
Energy: 0.7050511366749828
Energy: 0.6690767451609265
Energy: 0.7068990579181585
Energy: 0.6884376446997824
Energy: 0.7050511366746058
Energy: 0.655004289380869
Energy: 0.7047284820276162
Energy: 0.6774137057957413
Energy: 0.681062185622196
Energy: 0.6837681347012725
Energy: 0.704728482027993
Energy: 0.6774137057964954
Energy: 0.6810621856199344
Energy: 0.6883159860372254
Energy: 0.6814669708477533
Energy: 0.6721650107110461
Energy: 0.6827011399886952
Energy: 0.6883159860372254
Energy: 0.6814669708492611
Energy: 0.6721650107099151
Energy: 0.6906708113514882
Energy: 0.6646549314327365
Energy: 0.7258835569404799
Energy: 0.6825924093870913
Energy: 0.6906708113511113
Energy: 0.6646549314323594
Energy: 0.7258835569393489
Energy: 0.690911200015676
Energy: 0.6574731414996633
Energy: 0.6560573359848259
Energy: 0.6828349537801833
Energy: 0.690911200015676
Energy: 0.6574731414996633
Energy: 0.656057335984072
Energy: 0.6907318342664166
Energy: 0.6638890536302295
Energy: 0.6487928132637107
Energy: 0.6771839014645773
Energy: 0.6907318342667935
Energy: 0.6638890536302295
Energy: 0.6487928132640879
Energy: 0.7244812374185605
Energy: 0.6577504751304538
Energy: 0.6537906916277452
Energy: 0.6668557460218696
Energy: 0.7244812374181837
Energy: 0.6577504751304538
Energy: 0.6537906916247294
Energy: 0.6912406242927283
Energy: 0.6815700493726102
Energy: 0.6918711442008503
Energy: 0.6815537929264434
Energy: 0.6912406242927283
Energy: 0.6815700493722332
Energy: 0.6918711442008503
Energy: 0.7245281629911926
Energy: 0.6665401701737894
Energy: 0.6785620094880583
Energy: 0.6575461971846953
Energy: 0.7245281629911926
Energy: 0.6665401701741662
Energy: 0.6785620095208549
Energy: 0.690718353807249
Energy: 0.6776934937636391
Energy: 0.6487940903685422
Energy: 0.6648843778947315
Energy: 0.690718353807249
Energy: 0.6776934937636391
Energy: 0.6487940903685422
Energy: 0.6908629068642326
Energy: 0.6830596921744575
Energy: 0.7625140984089185
Energy: 0.6573366046381409
Energy: 0.6908629068646094
Energy: 0.6830596921744575
Energy: 0.7625140984096725
Energy: 0.6906944007328428
Energy: 0.6823668930699878
Energy: 0.7260093080661826
Energy: 0.6646469293281984
Energy: 0.6906944007328428
Energy: 0.6823668930692339
Energy: 0.7260093080661826
Energy: 0.6883758890390935
Energy: 0.6829300677927472
Energy: 0.719428508432658
Energy: 0.6814653177777026
Energy: 0.6883758890390935
Energy: 0.6829300677927472
Energy: 0.719428508432281
Energy: 0.7046748583392075
Energy: 0.6830890782535313
Energy: 0.6822858661727651
Energy: 0.6774266511633301
Energy: 0.7046748583388306
Energy: 0.6830890782539083
Energy: 0.6822858661735189
Energy: 0.6884376446994055
Energy: 0.7050511366742289
Energy: 0.6550042938697546
Energy: 0.7068990579185355
Energy: 0.6884376447001594
Energy: 0.7050511366749828
Energy: 0.655004288400809
Energy: 0.704728482027993
Energy: 0.6774137057964954
Energy: 0.6810621856210654
Energy: 0.6837681347012725
Energy: 0.704728482027993
Energy: 0.6774137057957413
Energy: 0.6810621856206882

minimum gb energy = 0.6487928132637107 eV
minimum distance =  2.55696346237752 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.7427612530157817
Energy: 0.7129233786419682
Energy: 0.6891692095451247
Energy: 0.7242403489257229
Energy: 0.7427612530157817
Energy: 0.7129233786419682
Energy: 0.68916920954604
Energy: 0.7534253611627096
Energy: 0.6954350118626093
Energy: 0.6903753908343316
Energy: 0.7032438950637596
Energy: 0.7534253611627096
Energy: 0.6954350118621516
Energy: 0.690375390833874
Energy: 0.7161975394708191
Energy: 0.7360534518351264
Energy: 0.7431123532014771
Energy: 0.6785565705764656
Energy: 0.7161975394708191
Energy: 0.7360534518351264
Energy: 0.7631346745180012
Energy: 0.6922950675456938
Energy: 0.6961981556509836
Energy: 0.7313125507875333
Energy: 0.6853313975220435
Energy: 0.6922950675456938
Energy: 0.6961981556505259
Energy: 0.7313125507875333
Energy: 0.7182301728178916
Energy: 0.7510764601067869
Energy: 0.6717194953665271
Energy: 0.6897046485929625
Energy: 0.7182301728178916
Energy: 0.7510764601067869
Energy: 0.6717194953665271
Energy: 0.7135379505756707
Energy: 0.6720402589373218
Energy: 0.6723776173886297
Energy: 0.6858252821380497
Energy: 0.7135379505761283
Energy: 0.6720402589373218
Energy: 0.6723776173886297
Energy: 0.7215182535251414
Energy: 0.7447190495141042
Energy: 0.6646136918862419
Energy: 0.6861900003466361
Energy: 0.7215182535251414
Energy: 0.7447190495141042
Energy: 0.6829651507611406
Energy: 0.7231393294935957
Energy: 0.6966680185866009
Energy: 0.7307787712816781
Energy: 0.6879178275780553
Energy: 0.7231393294935957
Energy: 0.6966680185866009
Energy: 0.7307787712821359
Energy: 0.7207604166871331
Energy: 0.6828399342398603
Energy: 0.7355740978509809
Energy: 0.7254902842324522
Energy: 0.7207604166866753
Energy: 0.682839934240318
Energy: 0.7355740978509809
Energy: 0.7228811526946385
Energy: 0.7092841441017763
Energy: 0.6799435302355966
Energy: 0.7051846033319196
Energy: 0.7228811526941809
Energy: 0.7092841441017763
Energy: 0.6799435302355966
Energy: 0.7370681430760204
Energy: 0.6796448623443148
Energy: 0.755501935413785
Energy: 0.6629673565850528
Energy: 0.7370681430760204
Energy: 0.6796448623443148
Energy: 0.718483875775241
Energy: 0.6804519296592957
Energy: 0.6944135785587126
Energy: 0.7235997498588237
Energy: 0.668412051934129
Energy: 0.6804519296597533
Energy: 0.6944135785587126
Energy: 0.7235997498583663
Energy: 0.7484588622276007
Energy: 0.727721609697956
Energy: 0.715864224829441
Energy: 0.6820805388006871
Energy: 0.7484588622271431
Energy: 0.7277216096970407
Energy: 0.715864224829441
Energy: 0.7221357330885505
Energy: 0.6996646608175584
Energy: 0.7666764894086704
Energy: 0.6600871433336556
Energy: 0.7221357330885505
Energy: 0.6996646608175584
Energy: 0.7666764894086704
Energy: 0.655862762484299
Energy: 0.7053000362502715
Energy: 0.7348521978032092
Energy: 0.7103452489944144
Energy: 0.655862762482926
Energy: 0.7053000362502715
Energy: 0.7348521978032092
Energy: 0.7341592262193097
Energy: 0.7241010837122945
Energy: 0.7015326559567983
Energy: 0.6542647807859345
Energy: 0.7341592262193097
Energy: 0.7241010837118369
Energy: 0.7015326559567983
Energy: 0.7173230855220205
Energy: 0.6749405813696375
Energy: 0.7563141457868812
Energy: 0.7109406866449773
Energy: 0.7173230855215628
Energy: 0.6749405813700952
Energy: 0.7563141457868812
Energy: 0.7114225036120763
Energy: 0.7174936584009394
Energy: 0.7020105331070968
Energy: 0.65965724773209
Energy: 0.7114225036129916
Energy: 0.7174936584009394
Energy: 0.7020105331075543
Energy: 0.7042889009547153
Energy: 0.677213705009957
Energy: 0.6937108797230637
Energy: 0.6786940845244135
Energy: 0.7042889009547153
Energy: 0.677213705009957
Energy: 0.6937108797230637
Energy: 0.6900280532620577
Energy: 0.7151393884645793
Energy: 0.6928904926865583
Energy: 0.709387621427035
Energy: 0.6900280532625154
Energy: 0.7151393884641217
Energy: 0.6928904926865583
Energy: 0.7062021038985716
Energy: 0.6724449802979868
Energy: 0.7625171802191404
Energy: 0.6680545681991022
Energy: 0.7062021038985716
Energy: 0.6724449802979868
Energy: 0.7625171802191404
Energy: 0.7121405345076626
Energy: 0.6578759944308756
Energy: 0.7008161068686559
Energy: 0.7184352012720641
Energy: 0.7121405345076626
Energy: 0.6578759944308756
Energy: 0.7008161068691137
Energy: 0.6665827884641531
Energy: 0.672664637683954
Energy: 0.6821207932254857
Energy: 0.6860510008572138
Energy: 0.6665827884641531
Energy: 0.672664637683954
Energy: 0.6821207932254857
Energy: 0.7121454865266633
Energy: 0.635969137831331
Energy: 0.7009424368593881
Energy: 0.7191248332467297
Energy: 0.7121454865266633
Energy: 0.635969137831331
Energy: 0.7009424368598457
Energy: 0.7758552356976381
Energy: 0.6732460725627462
Energy: 0.7403144137254976
Energy: 0.7476417090406549
Energy: 0.7758552356976381
Energy: 0.6732460725627462
Energy: 0.7403144137254976

minimum gb energy = 0.635969137831331 eV
minimum distance =  2.48475306555001 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.7361989256611778
Energy: 0.721150669454067
Energy: 0.7170874871667413
Energy: 0.7211910099701018
Energy: 0.7361989256619209
Energy: 0.721150669455878
Energy: 0.7170874871700383
Energy: 0.7610162596368402
Energy: 0.6685151350780264
Energy: 0.6870482956173762
Energy: 0.6683638617157677
Energy: 0.7610162596365616
Energy: 0.6685151350800695
Energy: 0.6870482956170977
Energy: 0.7368089445141804
Energy: 0.6728978882537788
Energy: 0.6952033725149035
Energy: 0.6800147479206697
Energy: 0.7368089445139018
Energy: 0.6728978882524785
Energy: 0.6952033725121174
Energy: 0.7147202117867812
Energy: 0.6686458078259954
Energy: 0.6972474453887357
Energy: 0.6914318814939129
Energy: 0.7147202117888245
Energy: 0.6686458078236736
Energy: 0.6972474453869247
Energy: 0.6971564864470415
Energy: 0.6444024334530835
Energy: 0.6874985938084542
Energy: 0.6566055497900425
Energy: 0.69715648644602
Energy: 0.6444024334533157
Energy: 0.6874985938059003
Energy: 0.678377520651944
Energy: 0.6560947055675689
Energy: 0.7131234046919251
Energy: 0.6535032478033713
Energy: 0.6783775206516653
Energy: 0.6560947055734664
Energy: 0.7131234046903928
Energy: 0.6658770259724066
Energy: 0.6276190492146254
Energy: 0.6751818110145653
Energy: 0.6570722031462771
Energy: 0.6658770259701312
Energy: 0.6276190492125822
Energy: 0.6751818110166085
Energy: 0.673380491407747
Energy: 0.6273678280903854
Energy: 0.7009674393451109
Energy: 0.6476989753188305
Energy: 0.6733804914092794
Energy: 0.6273678280911749
Energy: 0.7009674393461326
Energy: 0.6717442266898291
Energy: 0.6421227419675651
Energy: 0.7595873217197322
Energy: 0.6534937077023572
Energy: 0.6717442266905721
Energy: 0.642122741965522
Energy: 0.759587321720243
Energy: 0.711503971540018
Energy: 0.6273896909743742
Energy: 0.6582984726842969
Energy: 0.6829050375810722
Energy: 0.711503971538207
Energy: 0.6273896909743742
Energy: 0.6582984726863401
Energy: 0.7139098853636386
Energy: 0.6544825680754217
Energy: 0.7581106883056089
Energy: 0.6528982262401127
Energy: 0.7139098853649389
Energy: 0.6544825680764432
Energy: 0.7581106883063519
Energy: 0.7115602315247437
Energy: 0.6393982661583414
Energy: 0.7443171386931241
Energy: 0.6730441842017454
Energy: 0.7115602315257651
Energy: 0.6393982661537442
Energy: 0.744317138692892
Energy: 0.681253651697981
Energy: 0.6796208875094135
Energy: 0.7496291765240322
Energy: 0.6674884598887779
Energy: 0.6812536516972381
Energy: 0.6796208875152647
Energy: 0.7496291765255647
Energy: 0.6716616261073687
Energy: 0.6900800341033221
Energy: 0.7558037088991066
Energy: 0.6773011259801012
Energy: 0.6716616261076007
Energy: 0.6900800341028114
Energy: 0.755803708899339
Energy: 0.6829261913679185
Energy: 0.6754644553590051
Energy: 0.7829219653141057
Energy: 0.681497276222564
Energy: 0.6829261913684295
Energy: 0.6754644553590051
Energy: 0.7829219653171705
Energy: 0.6720388852882482
Energy: 0.6821890438372693
Energy: 0.7335332826560517
Energy: 0.6730440738577232
Energy: 0.6720388852902913
Energy: 0.682189043832672
Energy: 0.7335332826555407
Energy: 0.6938428592525359
Energy: 0.6841808142243662
Energy: 0.7608076472290719
Energy: 0.6731487488438074
Energy: 0.6938428592533253
Energy: 0.6841808142246449
Energy: 0.7608076472306042
Energy: 0.708904185245971
Energy: 0.6528978079438849
Energy: 0.7431632567640043
Energy: 0.6501247830258254
Energy: 0.7089041852477357
Energy: 0.652897807944117
Energy: 0.7431632567606609
Energy: 0.6934933090130752
Energy: 0.6708846866901098
Energy: 0.7211082022913315
Energy: 0.6856458453512809
Energy: 0.6934933090094995
Energy: 0.6708846866857445
Energy: 0.7211082022946286
Energy: 0.653310215756008
Energy: 0.6599768670289172
Energy: 0.7400918761201289
Energy: 0.6581985842046219
Energy: 0.653310215756008
Energy: 0.6599768670291958
Energy: 0.7400918761211505
Energy: 0.6478181989393835
Energy: 0.6348068162579481
Energy: 0.7151132664400879
Energy: 0.7081581716569187
Energy: 0.647818198938594
Energy: 0.6348068162594807
Energy: 0.715113266437766
Energy: 0.6497093264636941
Energy: 0.6714190629376854
Energy: 0.6938102654642864
Energy: 0.6470478254718296
Energy: 0.6497093264654585
Energy: 0.6714190629333668
Energy: 0.6938102654642864
Energy: 0.6888896850269823
Energy: 0.6296869493366384
Energy: 0.7263986777136419
Energy: 0.6899193950848789
Energy: 0.6888896850234066
Energy: 0.629686949334363
Energy: 0.7263986777136419
Energy: 0.7261691427692312
Energy: 0.679726368486513
Energy: 0.6634264509458111
Energy: 0.667228014781664
Energy: 0.7261691427644019
Energy: 0.679726368487256
Energy: 0.6634264509496653
Energy: 0.7241303986152645
Energy: 0.6664330047135494
Energy: 0.7144369146625704
Energy: 0.7171014592221571
Energy: 0.7241303986160539
Energy: 0.6664330047107166
Energy: 0.7080693265925837
Energy: 0.7078656378454579
Energy: 0.6903462462456561
Energy: 0.7179608200079545
Energy: 0.6954082392892478
Energy: 0.7078656378451794
Energy: 0.6903462462449131
Energy: 0.7179608200046574
Energy: 0.7125048956690625
Energy: 0.6729725723790361
Energy: 0.6772562910111082
Energy: 0.7204817225899524
Energy: 0.7125048956698055
Energy: 0.6729725723813114
Energy: 0.6772562910080433
Energy: 0.6923442760461529
Energy: 0.7383728996454406
Energy: 0.7324422511278686
Energy: 0.7290551492839087
Energy: 0.6923442760464315
Energy: 0.7383728996485055
Energy: 0.7324422511306548
Energy: 0.7130372601581596
Energy: 0.6734732353942069
Energy: 0.7155405047626524
Energy: 0.7184627796573998
Energy: 0.7130372601589026
Energy: 0.6734732353934174
Energy: 0.7155405047616308
Energy: 0.7368746100476727
Energy: 0.7065396985436422
Energy: 0.7369117236211055
Energy: 0.6874128015056519
Energy: 0.7368746100481836
Energy: 0.7065396985482393
Energy: 0.7369117236195729
Energy: 0.687065994260541
Energy: 0.6732004568805693
Energy: 0.7508803913852493
Energy: 0.7247505636507581
Energy: 0.6870659942595195
Energy: 0.6732004568780153
Energy: 0.7508803913872925
Energy: 0.6902533136010307
Energy: 0.6491421673163883
Energy: 0.6996483137693185
Energy: 0.6331976753205281
Energy: 0.6902533136005198
Energy: 0.64914216731741
Energy: 0.6996483137693185
Energy: 0.7147095805481984
Energy: 0.6714755909350406
Energy: 0.6903602938886398
Energy: 0.6733445091556693
Energy: 0.7147095805502416
Energy: 0.6714755909353194
Energy: 0.6903602938917046
Energy: 0.6646574204784456
Energy: 0.6490464582729161
Energy: 0.6844992532194775
Energy: 0.6455444355816544
Energy: 0.6646574204784456
Energy: 0.6490464582739376
Energy: 0.6844992532192452
Energy: 0.6734482032127975
Energy: 0.6284001304867973
Energy: 0.6796070516186193
Energy: 0.6711760781750495
Energy: 0.6734482032151194
Energy: 0.6284001304880975
Energy: 0.6796070516153224
Energy: 0.6643355488335291
Energy: 0.6274942243091584
Energy: 0.7067872497662583
Energy: 0.6430117087334177
Energy: 0.6643355488332969
Energy: 0.6274942243094371
Energy: 0.706787249767512
Energy: 0.6651220795559855
Energy: 0.6203363942439655
Energy: 0.6590170880803201
Energy: 0.6736570455194165
Energy: 0.6651220795557533
Energy: 0.6203363942439655
Energy: 0.659017088080831
Energy: 0.6701975864627003
Energy: 0.6837211684163569
Energy: 0.7058318152498992
Energy: 0.6408568481184354
Energy: 0.6701975864627003
Energy: 0.6837211684160782
Energy: 0.7058318152504099
Energy: 0.6653590848232848
Energy: 0.6564714849680731
Energy: 0.7434467227767578
Energy: 0.6758623022506312
Energy: 0.665359084823006
Energy: 0.656471484965519
Energy: 0.7434467227767578
Energy: 0.6700128735793746
Energy: 0.7116180507966529
Energy: 0.6982497035843758
Energy: 0.6659003661673006
Energy: 0.6700128735798854
Energy: 0.7116180507964207
Energy: 0.6982497035830755
Energy: 0.6869099449615559
Energy: 0.6465360081856575
Energy: 0.7489325173160841
Energy: 0.6668082532756919
Energy: 0.6869099449597914
Energy: 0.646536008183382
Energy: 0.7489325173160841
Energy: 0.6713724765621394
Energy: 0.6824841663882641
Energy: 0.7660276355400003
Energy: 0.6807495282250088
Energy: 0.6713724765618608
Energy: 0.6824841663882641
Energy: 0.7660276355415326
Energy: 0.676317167099231
Energy: 0.6463812630065379
Energy: 0.7317121312251249
Energy: 0.6670045179174644
Energy: 0.6763171670984879
Energy: 0.6463812630042162
Energy: 0.7317121312233603
Energy: 0.7033568015686603
Energy: 0.683597784132043
Energy: 0.7361836369148399
Energy: 0.6612079316089168
Energy: 0.7033568015691712
Energy: 0.6835977841351077
Energy: 0.736183636917626
Energy: 0.7179063760838357
Energy: 0.6566923673814975
Energy: 0.7329818452403913
Energy: 0.6881870758558405
Energy: 0.7179063760825819
Energy: 0.6566923673784327
Energy: 0.7329818452391377

minimum gb energy = 0.6203363942439655 eV
minimum distance =  2.48128034026029 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.7334474102186505
Energy: 0.4735724105125032
Energy: 0.7367971522639905
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.6484623724668624
Energy: 0.7334474102198022
Energy: 0.4735724105125032
Energy: 0.588845170815424
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5888451708159997
Energy: 0.7334474102198022
Energy: 0.4735724105125032
Energy: 0.6180360857797966
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5889037571387089
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.6808494588106562
Energy: 0.4735724105125032
Energy: 0.7334474102198022
Energy: 0.4735724105125032
Energy: 0.6497244588645588
Energy: 0.7334474102186505
Energy: 0.4735724105125032
Energy: 0.5889037571381331
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5889037571375573
Energy: 0.7334474102198022
Energy: 0.473572410513079
Energy: 0.6471828448325437
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.5888486665481532
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.7325396117370417
Energy: 0.4735724105125032
Energy: 0.7334474102198022
Energy: 0.4735724105125032
Energy: 0.6180360857711591
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.5888486665516081
Energy: 0.4735724105125032
Energy: 0.7334474102198022
Energy: 0.473572410513079
Energy: 0.5888486665533356
Energy: 0.7334474102198022
Energy: 0.4735724105125032
Energy: 0.5889037571392848
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.5889037571387089
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.6342757317837474
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.6209936732768433
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5888451708136964
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.6209936732774192
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5888451708142722
Energy: 0.4735724105125032
Energy: 0.7334474102198022
Energy: 0.4735724105125032
Energy: 0.5888451708142722
Energy: 0.7334474102186505
Energy: 0.4735724105125032
Energy: 0.5888451708131205
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5888451708136964
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5888451708131205
Energy: 0.4735724105125032
Energy: 0.7334474102198022
Energy: 0.473572410513079
Energy: 0.5888451708131205
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.5888451708131205
Energy: 0.4735724105125032
Energy: 0.7334474102198022
Energy: 0.4735724105125032
Energy: 0.5888451708131205
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.5888451708131205
Energy: 0.4735724105125032
Energy: 0.7334474102198022
Energy: 0.473572410513079
Energy: 0.5888451708131205
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.5888451708119689
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5888451708125446
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5888451708119689
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.4735724105125032
Energy: 0.5888451708108172
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5888451708119689
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.5888451708119689
Energy: 0.7334474102186505
Energy: 0.4735724105125032
Energy: 0.5888451708119689
Energy: 0.4735724105125032
Energy: 0.7334474102192263
Energy: 0.473572410513079
Energy: 0.588845170811393

minimum gb energy = 0.4735724105125032 eV
minimum distance =  2.61235731756155 Angstroms
sigma value = 23