Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650822877884
cohesive_energy=3.3602642529232347
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010383087601807735
Energy: 0.5018813541457446
Energy: 0.010383087601807735
Energy: 0.5018813541454942
Energy: 0.010383087601807735
Energy: 0.5018813541454942
Energy: 0.5018813541454942
Energy: 0.7164549699209994
Energy: 0.5018813541454942
Energy: 0.7164549699207489
Energy: 0.5018813541454942
Energy: 0.7164549699207489
Energy: 0.010383087601807735
Energy: 0.5018813541454942
Energy: 0.010383087601807735
Energy: 0.5018813541457446
Energy: 0.010383087601807735
Energy: 0.5018813541454942
Energy: 0.5018813541457446
Energy: 0.7164549699209994
Energy: 0.5018813541457446
Energy: 0.7164549699207489
Energy: 0.5018813541454942
Energy: 0.7164549699207489
Energy: 0.010383087601807735
Energy: 0.5018813541454942
Energy: 0.010383087601807735
Energy: 0.5018813541457446
Energy: 0.010383087601807735
Energy: 0.5018813541454942
Energy: 0.5018813541454942
Energy: 0.7164549699207489
Energy: 0.5018813541454942
Energy: 0.7164549699207489
Energy: 0.5018813541457446
Energy: 0.7164549699209994

minimum gb energy = 0.010383087601807735 eV
minimum distance =  2.60756611033092 Angstroms
sigma value = 1


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

Energy: 0.6478045093300161
Energy: 0.5966788392959235
Energy: 0.6478045093300161
Energy: 0.5966788392965265
Energy: 0.6478045093300161
Energy: 0.5966788392959235
Energy: 0.6810874286700741
Energy: 0.5595974377143489
Energy: 0.6810874286706772
Energy: 0.5595974377143489
Energy: 0.6810874286694711
Energy: 0.5595974377143489
Energy: 0.6375090508260299
Energy: 0.615451076677448
Energy: 0.6375090508260299
Energy: 0.6154510766545602
Energy: 0.6375090508260299
Energy: 0.6154510765834299
Energy: 0.6085440107321646
Energy: 0.5889567303861691
Energy: 0.6085320876144906
Energy: 0.5889567303861691
Energy: 0.6085139272015362
Energy: 0.5889567303861691
Energy: 0.6183729726980446
Energy: 0.6372037736248086
Energy: 0.6183729726974416
Energy: 0.6372037735548844
Energy: 0.6183729726974416
Energy: 0.6372037734759146
Energy: 0.6593502153497507
Energy: 0.5846747245780214
Energy: 0.6593502153503537
Energy: 0.5846747245786245
Energy: 0.6593502153503537
Energy: 0.5846747245780214
Energy: 0.5828122725393315
Energy: 0.6487912710139876
Energy: 0.5828122725393315
Energy: 0.6487912710145907
Energy: 0.5828122725399345
Energy: 0.6487912710139876
Energy: 0.5989358533299349
Energy: 0.6762885897532516
Energy: 0.598935853329332
Energy: 0.6762885897532516
Energy: 0.5989358533299349
Energy: 0.6762885897526486
Energy: 0.6514595256830628
Energy: 0.641942807317778
Energy: 0.6514595256830628
Energy: 0.641942807317778
Energy: 0.6514595256830628
Energy: 0.641942807317778
Energy: 0.5558301451479621
Energy: 0.6607038437716347
Energy: 0.5558301451479621
Energy: 0.6607038373491828
Energy: 0.5558301451479621
Energy: 0.6607038275946521
Energy: 0.6447879308807817
Energy: 0.5809429640437842
Energy: 0.6447879308813848
Energy: 0.5809429640437842
Energy: 0.6447879308813848
Energy: 0.5809429640437842
Energy: 0.538405490680608
Energy: 0.6636855375334207
Energy: 0.5384054906812109
Energy: 0.6636855375352299
Energy: 0.5384054906812109
Energy: 0.6636855375328178
Energy: 0.6546809449589848
Energy: 0.5341390505694509
Energy: 0.6546809449589848
Energy: 0.5341390505694509
Energy: 0.6546809449583817
Energy: 0.5341390505694509
Energy: 0.5874729685279312
Energy: 0.596121315700909
Energy: 0.5874729685279312
Energy: 0.596121315700909
Energy: 0.5874729685279312
Energy: 0.596121315700909
Energy: 0.6910580607179116
Energy: 0.561732102119569
Energy: 0.6910580607179116
Energy: 0.5617321021189658
Energy: 0.6910580607185147
Energy: 0.561732102119569
Energy: 0.6921027956789045
Energy: 0.6374958911447394
Energy: 0.6921027956783015
Energy: 0.6374958911441364
Energy: 0.6921027956795076
Energy: 0.6374958911447394
Energy: 0.6438682172445814
Energy: 0.6169043088450208
Energy: 0.6438682172445814
Energy: 0.6169043088456239
Energy: 0.6438682172445814
Energy: 0.6169043088456239
Energy: 0.6463195839642715
Energy: 0.6002394915415167
Energy: 0.6463195839636685
Energy: 0.6002394915421199
Energy: 0.6463195839636685
Energy: 0.6002394915421199
Energy: 0.6237154079816665
Energy: 0.5977372274252668
Energy: 0.6237154079816665
Energy: 0.5977372274252668
Energy: 0.6237154079816665
Energy: 0.5977372274252668
Energy: 0.6251523144472767
Energy: 0.5845685955090547
Energy: 0.6251523144472767
Energy: 0.5845685955096578
Energy: 0.6251523144478797
Energy: 0.5845685955090547
Energy: 0.5629165932989314
Energy: 0.6583857891945916
Energy: 0.5629165932983283
Energy: 0.6583857891951946
Energy: 0.5629165932989314
Energy: 0.6583857891957977
Energy: 0.6461594684411708
Energy: 0.6389910082611728
Energy: 0.6461594684405676
Energy: 0.6389910082617759
Energy: 0.6461594684411708
Energy: 0.6389910082611728
Energy: 0.5602488096524508
Energy: 0.6658493772148781
Energy: 0.5602488096518478
Energy: 0.6658493772154811
Energy: 0.5602488096518478
Energy: 0.6658493772160841

minimum gb energy = 0.5341390505694509 eV
minimum distance =  2.55627063536032 Angstroms
sigma value = 33


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

Energy: 0.6614019685316498
Energy: 0.6543071028461304
Energy: 0.640641904976344
Energy: 0.6543071028461304
Energy: 0.6614019685319928
Energy: 0.6543071028492173
Energy: 0.6239432620385879
Energy: 0.5908152191928029
Energy: 0.6239432620375588
Energy: 0.590815219193146
Energy: 0.6239432620382449
Energy: 0.5908152191924598
Energy: 0.5454167066958064
Energy: 0.5908501824546127
Energy: 0.5454167066954634
Energy: 0.5908501824559848
Energy: 0.5454167066958064
Energy: 0.5908501824559848
Energy: 0.6664470415005954
Energy: 0.6773207853045627
Energy: 0.6664470415012814
Energy: 0.6773207853045627
Energy: 0.6664470415005954
Energy: 0.6773207853073068
Energy: 0.6026390770150519
Energy: 0.6238142994660426
Energy: 0.602639077014023
Energy: 0.6238142994660426
Energy: 0.6026390770153949
Energy: 0.6238142994674146
Energy: 0.5981719438778235
Energy: 0.5500403097499336
Energy: 0.5981719438781665
Energy: 0.5500403097499336
Energy: 0.5981719438778235
Energy: 0.5500403097513056
Energy: 0.6566952346657923
Energy: 0.6454750727585112
Energy: 0.6566952346668212
Energy: 0.6454750727588542
Energy: 0.6566952346668212
Energy: 0.6454750727591972
Energy: 0.5326420516189481
Energy: 0.6655930392638424
Energy: 0.5326420516186049
Energy: 0.6655930392638424
Energy: 0.5326420516189481
Energy: 0.6655930392645285
Energy: 0.5522932632369798
Energy: 0.5468988599885848
Energy: 0.5522932632366369
Energy: 0.5468988599885848
Energy: 0.5522932632369798
Energy: 0.5468988599872128
Energy: 0.5475364524394437
Energy: 0.6739170462853855
Energy: 0.5475358404641798
Energy: 0.6739170462857286
Energy: 0.5475364524391007
Energy: 0.6739170462843564
Energy: 0.6808920655764786
Energy: 0.5456064382784596
Energy: 0.6808920655768216
Energy: 0.5456064382784596
Energy: 0.6808920655768216
Energy: 0.5456064382774306
Energy: 0.5457390881304257
Energy: 0.5686269841628303
Energy: 0.5457389914566655
Energy: 0.5686269841624874
Energy: 0.5457390881307689
Energy: 0.5686269841618015
Energy: 0.6456190412809012
Energy: 0.5431898203087424
Energy: 0.6456190412795292
Energy: 0.5431898203083994
Energy: 0.6456190412815872
Energy: 0.5431898203087424
Energy: 0.6448617531046404
Energy: 0.6562544588721021
Energy: 0.6448617531042974
Energy: 0.6562544588714161
Energy: 0.6448617531046404
Energy: 0.6562544588707301
Energy: 0.6146087096891872
Energy: 0.591105253248047
Energy: 0.6146087096891872
Energy: 0.59110525324839
Energy: 0.6146087096891872
Energy: 0.591105253248733
Energy: 0.5448605089408098
Energy: 0.5931486277937245
Energy: 0.5448605089397808
Energy: 0.5931486277937245
Energy: 0.5448605089408098
Energy: 0.5931486277954394
Energy: 0.6925080592952358
Energy: 0.6468182938956868
Energy: 0.6925080592938638
Energy: 0.6468182938956868
Energy: 0.6925080592955789
Energy: 0.6468182938956868
Energy: 0.6087736672271827
Energy: 0.5498218384470156
Energy: 0.6087736672261537
Energy: 0.5498218384466727
Energy: 0.6087736672261537
Energy: 0.5498218384470156
Energy: 0.5967060734392331
Energy: 0.5935641898382391
Energy: 0.5967060734395762
Energy: 0.593564189836524
Energy: 0.5967060734392331
Energy: 0.593564189837553
Energy: 0.6549890277976755
Energy: 0.6418238860343454
Energy: 0.6549890277976755
Energy: 0.6418238860340024
Energy: 0.6549890277976755
Energy: 0.6418238860343454
Energy: 0.5310046201240382
Energy: 0.6626282116354538
Energy: 0.5310046201233521
Energy: 0.6626282116340818
Energy: 0.5310046201236951
Energy: 0.6626282116347677
Energy: 0.5901070456416152
Energy: 0.5472422972167077
Energy: 0.5901070456419582
Energy: 0.5472422972167077
Energy: 0.5901070456423011
Energy: 0.5472422972153358
Energy: 0.5522669454960899
Energy: 0.6727464797277203
Energy: 0.55226424367384
Energy: 0.6727464797260053
Energy: 0.5522669454960899
Energy: 0.6727464797273773
Energy: 0.6700515452901127
Energy: 0.6015672906437933
Energy: 0.6700515452897696
Energy: 0.6015672906437933
Energy: 0.6700515452894266
Energy: 0.6015672906441364
Energy: 0.5458040049791975
Energy: 0.5965557876556294
Energy: 0.5465338589328311
Energy: 0.5965557876563155
Energy: 0.5458040049791975
Energy: 0.5965557876542574
Energy: 0.6628530704338251
Energy: 0.6559402404674999
Energy: 0.645936765278577
Energy: 0.655940240468186
Energy: 0.6628530704338251
Energy: 0.655940240468529
Energy: 0.6628000323142269
Energy: 0.6515154611789834
Energy: 0.6459584654754356
Energy: 0.6515154611796695
Energy: 0.6628000323142269
Energy: 0.6515154611779544
Energy: 0.546097960366618
Energy: 0.5903108484932234
Energy: 0.546097960366961
Energy: 0.5903108484932234
Energy: 0.546097960366618
Energy: 0.5903108484939095
Energy: 0.6721593736791203
Energy: 0.5893976847638129
Energy: 0.6721593736777484
Energy: 0.5893976847638129
Energy: 0.6721593736791203
Energy: 0.5893976847634699
Energy: 0.5464525165128249
Energy: 0.6823862182007163
Energy: 0.546452516513168
Energy: 0.6823862182007163
Energy: 0.546452516513168
Energy: 0.6823862182017453
Energy: 0.6070788643774393
Energy: 0.547033366673361
Energy: 0.6070788643774393
Energy: 0.547033366673704
Energy: 0.6070788643777822
Energy: 0.547033366674733
Energy: 0.5431560494473304
Energy: 0.6457537081475896
Energy: 0.5431560494473304
Energy: 0.6457537081469036
Energy: 0.5431560494476735
Energy: 0.6457537081486185
Energy: 0.6561032968931471
Energy: 0.6418110501478415
Energy: 0.656103296894176
Energy: 0.6418110501481844
Energy: 0.6561032968931471
Energy: 0.6418110501471553
Energy: 0.5902004626055307
Energy: 0.6135839835699669
Energy: 0.5902004626062167
Energy: 0.613583983569624
Energy: 0.5902004626055307
Energy: 0.613583983568252
Energy: 0.5922219062728388
Energy: 0.5497398238859637
Energy: 0.5922219062731817
Energy: 0.5497398238859637
Energy: 0.5922219062728388
Energy: 0.5497398238863067
Energy: 0.6759935155918734
Energy: 0.6681018317945783
Energy: 0.6759935155918734
Energy: 0.6681018317949212
Energy: 0.6759935155918734
Energy: 0.6681018317935492
Energy: 0.5448893724855238
Energy: 0.6059152827635649
Energy: 0.544889221705928
Energy: 0.6059152827632219
Energy: 0.5448893724858669
Energy: 0.6059152827625359
Energy: 0.5934731080178048
Energy: 0.5980680178108283
Energy: 0.5934731080178048
Energy: 0.5980680178104854
Energy: 0.5934731080164329
Energy: 0.5980680178118574
Energy: 0.6447515508076436
Energy: 0.6547636618730728
Energy: 0.6447515508073005
Energy: 0.6547636618737589
Energy: 0.6447515508079864
Energy: 0.6547636618710148
Energy: 0.6624546962381018
Energy: 0.5315147750292176
Energy: 0.6624546962370728
Energy: 0.5315147750295606
Energy: 0.6624546962367298
Energy: 0.5315147750288747
Energy: 0.5457701966586929
Energy: 0.5504375159994201
Energy: 0.5457701966586929
Energy: 0.5504375159997632
Energy: 0.5457701966586929
Energy: 0.5504375160004492

minimum gb energy = 0.5310046201233521 eV
minimum distance =  2.65247758368973 Angstroms
sigma value = 51


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

Energy: 0.6217063441175239
Energy: 0.6239866513923006
Energy: 0.6217063441175239
Energy: 0.6239866513923006
Energy: 0.6217063441183186
Energy: 0.6239866513930953
Energy: 0.6428706567480738
Energy: 0.5934153586603776
Energy: 0.6428706567488685
Energy: 0.5934153586603776
Energy: 0.6428706567480738
Energy: 0.5934153586611722
Energy: 0.6026859232907233
Energy: 0.6220841368053373
Energy: 0.6026859232907233
Energy: 0.622084136806132
Energy: 0.6026859232899286
Energy: 0.622084136806132
Energy: 0.6203733380878721
Energy: 0.5616902742996237
Energy: 0.6203733380878721
Energy: 0.5616902742996237
Energy: 0.6203733380878721
Energy: 0.5616902742996237
Energy: 0.6383045132210682
Energy: 0.6049383359704412
Energy: 0.6383045132210682
Energy: 0.6049383359704412
Energy: 0.6383045132218629
Energy: 0.6049383359704412
Energy: 0.6367077672402365
Energy: 0.6051046136713645
Energy: 0.6367077672402365
Energy: 0.6051046136713645
Energy: 0.6367077672402365
Energy: 0.6051046136713645
Energy: 0.6191495389368468
Energy: 0.6048062997841122
Energy: 0.6191495389368468
Energy: 0.6048062997841122
Energy: 0.6191495389360522
Energy: 0.6048062997841122
Energy: 0.5722466301709462
Energy: 0.6049110794929167
Energy: 0.5722466301701514
Energy: 0.6049110794929167
Energy: 0.5722466301709462
Energy: 0.604911079492122
Energy: 0.6930936767975804
Energy: 0.5603776716737301
Energy: 0.6930936767975804
Energy: 0.5603776716737301
Energy: 0.6930936767975804
Energy: 0.5603776716737301
Energy: 0.5657091249663251
Energy: 0.701708423327188
Energy: 0.5657091249663251
Energy: 0.7017084233263933
Energy: 0.5657091249663251
Energy: 0.7017084233263933
Energy: 0.6809646718111225
Energy: 0.551074362421068
Energy: 0.6809646718119172
Energy: 0.551074362421068
Energy: 0.6809646718111225
Energy: 0.551074362421068
Energy: 0.6234926818028902
Energy: 0.6241126612745143
Energy: 0.6234926818028902
Energy: 0.6241126612737194
Energy: 0.6234926818028902
Energy: 0.6241126612745143
Energy: 0.6446294848272147
Energy: 0.5928621105088816
Energy: 0.6446294848272147
Energy: 0.5928621105088816
Energy: 0.64462948482642
Energy: 0.5928621105088816
Energy: 0.6029251171990061
Energy: 0.577072229069073
Energy: 0.6029251171990061
Energy: 0.5770722290682782
Energy: 0.6029251171990061
Energy: 0.5770722290682782
Energy: 0.6293006114653465
Energy: 0.6181299402810224
Energy: 0.6293006114661412
Energy: 0.6181299402818171
Energy: 0.6293006114653465
Energy: 0.6181299402818171
Energy: 0.6397453539829475
Energy: 0.6049820246392442
Energy: 0.6397453539829475
Energy: 0.6049820246392442
Energy: 0.6397453539829475
Energy: 0.6049820246400389
Energy: 0.6384603599992221
Energy: 0.672805133813647
Energy: 0.6384603599992221
Energy: 0.672805133813647
Energy: 0.6384603599984273
Energy: 0.6728051338128523
Energy: 0.6182926344918317
Energy: 0.6067496259823086
Energy: 0.6182926344918317
Energy: 0.6067496259823086
Energy: 0.6182926344918317
Energy: 0.6067496259823086

minimum gb energy = 0.551074362421068 eV
minimum distance =  2.55842633624871 Angstroms
sigma value = 19


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

Energy: 0.5167607230575607
Energy: 0.5308728896305105
Energy: 0.516760723058032
Energy: 0.5308728896305105
Energy: 0.5167607230585034
Energy: 0.530872889630039
Energy: 0.6267177326168883
Energy: 0.6319833170852276
Energy: 0.626717732617831
Energy: 0.6319833170852276
Energy: 0.626717732617831
Energy: 0.6319833170856989
Energy: 0.5098201321164568
Energy: 0.6310221057664717
Energy: 0.5098201321169283
Energy: 0.6310221057674144
Energy: 0.5098201321173997
Energy: 0.6310221057660002
Energy: 0.5375647474741011
Energy: 0.5097413646897531
Energy: 0.5375647474741011
Energy: 0.5097413646897531
Energy: 0.5375647474741011
Energy: 0.5097413646892816
Energy: 0.5098622146795725
Energy: 0.516867179832586
Energy: 0.5098622146795725
Energy: 0.5168671798321146
Energy: 0.5098622146805153
Energy: 0.5168671798321146
Energy: 0.5098257299132607
Energy: 0.5169158428203395
Energy: 0.5098257299132607
Energy: 0.5169158428203395
Energy: 0.5098257299137321
Energy: 0.5169158428203395
Energy: 0.5375766675313554
Energy: 0.5097402046699014
Energy: 0.5375766675322982
Energy: 0.5097402046699014
Energy: 0.5375766675322982
Energy: 0.50974020466943
Energy: 0.5098221732901914
Energy: 0.630977934501523
Energy: 0.5098221732901914
Energy: 0.630977934501523
Energy: 0.5098221732916056
Energy: 0.6309779345019944
Energy: 0.6267065370335875
Energy: 0.6319853687224772
Energy: 0.6267065370331161
Energy: 0.6319853687220057
Energy: 0.6267065370345303
Energy: 0.6319853687224772
Energy: 0.516760723058032
Energy: 0.5308728896309818
Energy: 0.5167607230585034
Energy: 0.5308728896305105
Energy: 0.516760723058032
Energy: 0.530872889630039
Energy: 0.6267177326173596
Energy: 0.6319833170852276
Energy: 0.6267177326164168
Energy: 0.6319833170852276
Energy: 0.6267177326168883
Energy: 0.6319833170852276
Energy: 0.5098201321169283
Energy: 0.6310221057674144
Energy: 0.5098201321178711
Energy: 0.6310221057669431
Energy: 0.5098201321159855
Energy: 0.6310221057669431
Energy: 0.5375647474736297
Energy: 0.5097413646897531
Energy: 0.5375647474741011
Energy: 0.5097413646897531
Energy: 0.5375647474741011
Energy: 0.5097413646897531
Energy: 0.509862214680044
Energy: 0.5168671798321146
Energy: 0.5098622146791011
Energy: 0.516867179832586
Energy: 0.5098622146791011
Energy: 0.5168671798321146
Energy: 0.5098257299137321
Energy: 0.5169158428193967
Energy: 0.5098257299132607
Energy: 0.5169158428208109
Energy: 0.5098257299137321
Energy: 0.5169158428208109
Energy: 0.5375766675322982
Energy: 0.5097402046689585
Energy: 0.5375766675322982
Energy: 0.50974020466943
Energy: 0.5375766675322982
Energy: 0.5097402046689585
Energy: 0.509822173292077
Energy: 0.6309779345029372
Energy: 0.5098221732911342
Energy: 0.6309779345024658
Energy: 0.5098221732901914
Energy: 0.6309779345019944
Energy: 0.6267065370331161
Energy: 0.6319853687215344
Energy: 0.6267065370331161
Energy: 0.6319853687215344
Energy: 0.6267065370345303
Energy: 0.6319853687215344
Energy: 0.516760723058032
Energy: 0.5308728896305105
Energy: 0.5167607230585034
Energy: 0.5308728896305105
Energy: 0.516760723058032
Energy: 0.5308728896305105
Energy: 0.626717732617831
Energy: 0.6319833170852276
Energy: 0.626717732617831
Energy: 0.6319833170852276
Energy: 0.626717732617831
Energy: 0.6319833170852276
Energy: 0.5098201321164568
Energy: 0.6310221057655288
Energy: 0.5098201321164568
Energy: 0.6310221057664717
Energy: 0.5098201321178711
Energy: 0.6310221057664717
Energy: 0.5375647474736297
Energy: 0.5097413646897531
Energy: 0.5375647474736297
Energy: 0.5097413646897531
Energy: 0.5375647474736297
Energy: 0.5097413646892816
Energy: 0.5098622146795725
Energy: 0.516867179832586
Energy: 0.5098622146791011
Energy: 0.516867179832586
Energy: 0.5098622146795725
Energy: 0.5168671798321146
Energy: 0.5098257299132607
Energy: 0.5169158428212823
Energy: 0.5098257299137321
Energy: 0.5169158428203395
Energy: 0.5098257299132607
Energy: 0.5169158428203395
Energy: 0.5375766675327696
Energy: 0.5097402046699014
Energy: 0.5375766675322982
Energy: 0.50974020466943
Energy: 0.5375766675322982
Energy: 0.50974020466943
Energy: 0.509822173292077
Energy: 0.6309779345019944
Energy: 0.5098221732906628
Energy: 0.630977934501523
Energy: 0.5098221732901914
Energy: 0.6309779345019944
Energy: 0.6267065370335875
Energy: 0.6319853687220057
Energy: 0.6267065370335875
Energy: 0.6319853687220057
Energy: 0.6267065370340589
Energy: 0.6319853687224772
Energy: 0.5167607230575607
Energy: 0.5308728896305105
Energy: 0.5167607230589749
Energy: 0.5308728896305105
Energy: 0.516760723058032
Energy: 0.530872889630039
Energy: 0.6267177326168883
Energy: 0.6319833170852276
Energy: 0.6267177326168883
Energy: 0.6319833170856989
Energy: 0.6267177326173596
Energy: 0.6319833170852276
Energy: 0.5098201321159855
Energy: 0.6310221057674144
Energy: 0.5098201321159855
Energy: 0.6310221057669431
Energy: 0.5098201321164568
Energy: 0.6310221057660002

minimum gb energy = 0.5097402046689585 eV
minimum distance =  2.56393043851753 Angstroms
sigma value = 27


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

Energy: 0.5281110177997758
Energy: 0.5112875764174281
Energy: 0.5281110177997758
Energy: 0.5112875764174281
Energy: 0.5281110177997758
Energy: 0.5112875764174281
Energy: 0.6262258776145982
Energy: 0.5241661960155435
Energy: 0.6262258776145982
Energy: 0.5241661960155435
Energy: 0.626225877615753
Energy: 0.5241661960155435
Energy: 0.5105545222320628
Energy: 0.5716247673252842
Energy: 0.5105545222320628
Energy: 0.5716247673241295
Energy: 0.5105545222309081
Energy: 0.5716247673252842
Energy: 0.6357981756624385
Energy: 0.5057103367875715
Energy: 0.6357981756635669
Energy: 0.5057103367875715
Energy: 0.6357981756635669
Energy: 0.5057103367875715
Energy: 0.6379035232598319
Energy: 0.5037836562302054
Energy: 0.6379035232609865
Energy: 0.5037836562302054
Energy: 0.6379035232609865
Energy: 0.5037836562302054
Energy: 0.6077889238306226
Energy: 0.625580203232726
Energy: 0.6077889238306226
Energy: 0.6255802032315714
Energy: 0.6077889238306226
Energy: 0.625580203232726
Energy: 0.5302693934471141
Energy: 0.5245974606441265
Energy: 0.5302693934471141
Energy: 0.5245974606441265
Energy: 0.5647825634133836
Energy: 0.5245974606441265
Energy: 0.5301212383821926
Energy: 0.5130732987029316
Energy: 0.5301212383821926
Energy: 0.5130732987040864
Energy: 0.5301212383821926
Energy: 0.5130732987029316
Energy: 0.6256570415881962
Energy: 0.5308810567742586
Energy: 0.6256570415881962
Energy: 0.5308810567731038
Energy: 0.6256570415881962
Energy: 0.5308810567742586
Energy: 0.5605867387646666
Energy: 0.5970544081273426
Energy: 0.5605867387646666
Energy: 0.5970544081204142
Energy: 0.5605867387646666
Energy: 0.5970544080973462
Energy: 0.5325944132505385
Energy: 0.5032280733153642
Energy: 0.5325944132516933
Energy: 0.5032280733153642
Energy: 0.5798141260840204
Energy: 0.5032280733153642
Energy: 0.6170242305135958
Energy: 0.5795767688243098
Energy: 0.6170242305135958
Energy: 0.5795767688127889
Energy: 0.6170242305135958
Energy: 0.579576768792004

minimum gb energy = 0.5032280733153642 eV
minimum distance =  2.54716233297635 Angstroms
sigma value = 9


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

Energy: 0.543619868526712
Energy: 0.5128446629658869
Energy: 0.543619868526712
Energy: 0.5128446629662112
Energy: 0.543619868526712
Energy: 0.5128446629665357
Energy: 0.5283497794644352
Energy: 0.5175517167078996
Energy: 0.5283497794657329
Energy: 0.5175517167078996
Energy: 0.5283497794644352
Energy: 0.525420224186358
Energy: 0.47871873106653384
Energy: 0.6248604653373455
Energy: 0.47871873106620944
Energy: 0.6248604653373455
Energy: 0.47871873106620944
Energy: 0.6248604653373455
Energy: 0.4783699782872051
Energy: 0.47534895088940404
Energy: 0.47836997828688077
Energy: 0.4753489508890795
Energy: 0.47836997828655636
Energy: 0.4753489508890795
Energy: 0.5224562035444107
Energy: 0.49923322516273994
Energy: 0.5224562035440862
Energy: 0.49923322516273994
Energy: 0.5224562035447351
Energy: 0.49923322516241553
Energy: 0.525520190703241
Energy: 0.5385676927196993
Energy: 0.525520190703241
Energy: 0.5385676927187258
Energy: 0.5255201907035653
Energy: 0.5343504740254044
Energy: 0.502670079530455
Energy: 0.5380603746113511
Energy: 0.5026700795294816
Energy: 0.5380603746113511
Energy: 0.5026700795281838
Energy: 0.5380603746116757
Energy: 0.4620473242121907
Energy: 0.53562816140047
Energy: 0.4620473242128396
Energy: 0.53562816140047
Energy: 0.4620473242128396
Energy: 0.53562816140047
Energy: 0.5955340271048969
Energy: 0.4994775608184973
Energy: 0.5955340271058702
Energy: 0.4994775608184973
Energy: 0.5955340271052213
Energy: 0.4994775608184973
Energy: 0.522054145340067
Energy: 0.6293727340388298
Energy: 0.5220541453403914
Energy: 0.6293727340388298
Energy: 0.5220541453397425
Energy: 0.6293727340388298
Energy: 0.4796790655120041
Energy: 0.47283758644738577
Energy: 0.4796790655120041
Energy: 0.4728375864467369
Energy: 0.47967906551232864
Energy: 0.4728375864480347
Energy: 0.4990930304958744
Energy: 0.5091110038918785
Energy: 0.4990930304958744
Energy: 0.5091110038941496
Energy: 0.4990930304958744
Energy: 0.5091110038925274
Energy: 0.5163127916505156
Energy: 0.5322509830232902
Energy: 0.5163127916462977
Energy: 0.5322509830236147
Energy: 0.5163127916336443
Energy: 0.5322509830239391
Energy: 0.552333714693838
Energy: 0.5518336452201134
Energy: 0.552333714693189
Energy: 0.551833645219789
Energy: 0.552333714693838
Energy: 0.5518336452201134
Energy: 0.4738394776811987
Energy: 0.5220846819878338
Energy: 0.4738394776815231
Energy: 0.5220846819878338
Energy: 0.4738394776815231
Energy: 0.5220846819878338
Energy: 0.49402975966502344
Energy: 0.5201508121778872
Energy: 0.49402975966502344
Energy: 0.5201508121785361
Energy: 0.49402975966502344
Energy: 0.5201508121892429
Energy: 0.6189048715457464
Energy: 0.473234723692351
Energy: 0.6189048715457464
Energy: 0.47323472369721775
Energy: 0.618904871545422
Energy: 0.47323472369170216
Energy: 0.4786579189322422
Energy: 0.49882379995054005
Energy: 0.4786579189322422
Energy: 0.49882379995054005
Energy: 0.4786579189319178
Energy: 0.49882379995118886
Energy: 0.46480153037896216
Energy: 0.6136224491276071
Energy: 0.4648015303792865
Energy: 0.6136224491279315
Energy: 0.46480153037863764
Energy: 0.6136224491276071
Energy: 0.6147600656161374
Energy: 0.4881666130483356
Energy: 0.6147600656171107
Energy: 0.4881666130480112
Energy: 0.6147600656164618
Energy: 0.48816661304866005
Energy: 0.4648041012065378
Energy: 0.6129208832314708
Energy: 0.46480410120621346
Energy: 0.6129208832311464
Energy: 0.46480410120686233
Energy: 0.6129208832311464
Energy: 0.47885075896433626
Energy: 0.4988087928805431
Energy: 0.47885075896433626
Energy: 0.4988087928805431
Energy: 0.4788507589646607
Energy: 0.4988087928805431
Energy: 0.618918907825775
Energy: 0.4732031772390741
Energy: 0.6189189078267483
Energy: 0.47320317723874966
Energy: 0.6189189078267483
Energy: 0.47320317723874966
Energy: 0.4939886927165245
Energy: 0.502992074030657
Energy: 0.4939886927162
Energy: 0.5029920740261148
Energy: 0.4939886927168489
Energy: 0.5029920740235192
Energy: 0.4738734352223881
Energy: 0.5219709222009977
Energy: 0.47387343522173914
Energy: 0.5219709222013222
Energy: 0.47387343522173914
Energy: 0.5219709222013222
Energy: 0.5526158971507761
Energy: 0.5518343828124251
Energy: 0.5526158971504517
Energy: 0.5518343828121006
Energy: 0.5526158971511006
Energy: 0.5518343828121006
Energy: 0.5165124380713279
Energy: 0.5320934010039083
Energy: 0.5165124380713279
Energy: 0.5320934010045573
Energy: 0.5165124380599722
Energy: 0.5320934010032594
Energy: 0.49910422913691727
Energy: 0.47713295109904535
Energy: 0.49910422913724173
Energy: 0.47713295109936976
Energy: 0.49910422913691727
Energy: 0.47713295109872095
Energy: 0.47964790631844867
Energy: 0.4729518707749544
Energy: 0.4796479063181242
Energy: 0.4729518707749544
Energy: 0.4796479063181242
Energy: 0.4729518707749544
Energy: 0.5221814580080527
Energy: 0.5830699560197388
Energy: 0.5221814580080527
Energy: 0.5830699560210366
Energy: 0.5221814580083771
Energy: 0.5830699560210366
Energy: 0.595514893617486
Energy: 0.4994457406782628
Energy: 0.5955148936171616
Energy: 0.4994457406782628
Energy: 0.5955148936165127
Energy: 0.4994457406779383
Energy: 0.4620584755019821
Energy: 0.5356890044031566
Energy: 0.46205847550168716
Energy: 0.5356890044028321
Energy: 0.46205847550168716
Energy: 0.5356890044031566
Energy: 0.5027593427428426
Energy: 0.5380416513210214
Energy: 0.5027593427425182
Energy: 0.538041651320697
Energy: 0.5027593427425182
Energy: 0.5380416513210214
Energy: 0.5253182909815353
Energy: 0.48412792735109383
Energy: 0.5253182909828331
Energy: 0.48412792735109383
Energy: 0.5253182909805619
Energy: 0.4841279273507694
Energy: 0.5224810307444676
Energy: 0.4992198671631258
Energy: 0.5224810307447921
Energy: 0.49921986716345024
Energy: 0.5224810307447921
Energy: 0.49921986716345024
Energy: 0.47837905985562174
Energy: 0.4752348798673686
Energy: 0.47837905985627066
Energy: 0.4752348798673686
Energy: 0.47837905985659507
Energy: 0.4752348798673686
Energy: 0.4786552879869885
Energy: 0.6250618786035801
Energy: 0.4786552879873129
Energy: 0.6250618786039046
Energy: 0.47865528798666396
Energy: 0.625061878604229
Energy: 0.5288512319253409
Energy: 0.5254993284662876
Energy: 0.5288512319233942
Energy: 0.5254993284666121
Energy: 0.5288512319285854
Energy: 0.5254993284662876
Energy: 0.543619868526063
Energy: 0.5128446629668603
Energy: 0.5436198685250897
Energy: 0.5128446629671847
Energy: 0.543619868526063
Energy: 0.5128446629671847
Energy: 0.5283497794624884
Energy: 0.5198420714634058
Energy: 0.5283497794615151
Energy: 0.5198420714634058
Energy: 0.5283497794628129
Energy: 0.5198420714634058
Energy: 0.47871873106718277
Energy: 0.6248604653366966
Energy: 0.47871873106653384
Energy: 0.6248604653366966
Energy: 0.47871873106718277
Energy: 0.6248604653363721
Energy: 0.47836997828688077
Energy: 0.47534895088940404
Energy: 0.4783699782872051
Energy: 0.47534895088940404
Energy: 0.47836997828688077
Energy: 0.47534895088972845
Energy: 0.5224562035444107
Energy: 0.49923322516176655
Energy: 0.5224562035434374
Energy: 0.499233225162091
Energy: 0.5224562035437618
Energy: 0.49923322516176655

minimum gb energy = 0.4620473242121907 eV
minimum distance =  2.63587906324562 Angstroms
sigma value = 57


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

Energy: 0.28256963664852225
Energy: 0.287538675016124
Energy: 0.2825696366507379
Energy: 0.2875386750168626
Energy: 0.28256963664852225
Energy: 0.2875386750168626
Energy: 0.3410846604263547
Energy: 0.2831173829239552
Energy: 0.34108247483348286
Energy: 0.2831173704374912
Energy: 0.34108331337210746
Energy: 0.28311740098627836
Energy: 0.3026660254153148
Energy: 0.3276654428556634
Energy: 0.3026660254153148
Energy: 0.3276654380136307
Energy: 0.3026660254153148
Energy: 0.32766543977946044
Energy: 0.2891459161544063
Energy: 0.28268059438243803
Energy: 0.2891356528787392
Energy: 0.28268498172733686
Energy: 0.2891374774931105
Energy: 0.28269553625550203
Energy: 0.3410415026041376
Energy: 0.34022584253277177
Energy: 0.34104150247126397
Energy: 0.3402258425335103
Energy: 0.34104150229629243
Energy: 0.3402258425335103
Energy: 0.2828296662412067
Energy: 0.30541615328538196
Energy: 0.28282898667717776
Energy: 0.30541615328538196
Energy: 0.28282875184186534
Energy: 0.30541615328538196
Energy: 0.2828375053436532
Energy: 0.30413086733084227
Energy: 0.28283726329579906
Energy: 0.3041377822280197
Energy: 0.28283873714511454
Energy: 0.30413561870237943
Energy: 0.3408555362840468
Energy: 0.3402378644595354
Energy: 0.3408555386663391
Energy: 0.3402378644595354
Energy: 0.3408555354838171
Energy: 0.3402378644595354
Energy: 0.2891308508851607
Energy: 0.282683172698528
Energy: 0.28912823863401976
Energy: 0.2826863706902964
Energy: 0.28913467274057836
Energy: 0.2826883599348199
Energy: 0.3026630330078893
Energy: 0.32758693309841835
Energy: 0.30266303300862785
Energy: 0.32758693324606325
Energy: 0.30266303300862785
Energy: 0.3275869331456526
Energy: 0.34105684648955686
Energy: 0.2830786302727215
Energy: 0.34105322680858435
Energy: 0.28307863009996564
Energy: 0.34105465974211424
Energy: 0.2830786335467579
Energy: 0.28256963664852225
Energy: 0.28753867501760116
Energy: 0.2825696366507379
Energy: 0.2875386750168626
Energy: 0.28256963664999935
Energy: 0.2875386750168626
Energy: 0.34108324051155564
Energy: 0.2831175626184815
Energy: 0.3410550581608045
Energy: 0.2831176560853263
Energy: 0.341069375994442
Energy: 0.28311736239296176
Energy: 0.3026660254153148
Energy: 0.32766543955430033
Energy: 0.3026660254153148
Energy: 0.32766543168178824
Energy: 0.3026660254153148
Energy: 0.3276654446451606
Energy: 0.2891315534930997
Energy: 0.28267730473695596
Energy: 0.2891359872336304
Energy: 0.28268325707477393
Energy: 0.28914401042533716
Energy: 0.28267705140524846
Energy: 0.34104150258345794
Energy: 0.3402258425320332
Energy: 0.3410415021575103
Energy: 0.3402258425312946
Energy: 0.341041501836371
Energy: 0.34022584253277177
Energy: 0.28283220151909105
Energy: 0.30541615328612054
Energy: 0.282829565900685
Energy: 0.30541615328464333
Energy: 0.28282981176813615
Energy: 0.30541615328612054
Energy: 0.2828339773540274
Energy: 0.3041302653579761
Energy: 0.2828341502553462
Energy: 0.30414045212547797
Energy: 0.2828340059479806
Energy: 0.30413207345807935
Energy: 0.3408555417388493
Energy: 0.340237864460274
Energy: 0.3408555359481699
Energy: 0.340237864460274
Energy: 0.34085553785798517
Energy: 0.340237864460274

minimum gb energy = 0.28256963664852225 eV
minimum distance =  2.74610138044525 Angstroms
sigma value = 11


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

Energy: 0.49597670956570017
Energy: 0.49926155373598247
Energy: 0.49597670956570017
Energy: 0.49926155373544145
Energy: 0.49597670956570017
Energy: 0.4992615537349005
Energy: 0.5519856810426884
Energy: 0.4815496045716807
Energy: 0.5519856810426884
Energy: 0.4815496045711397
Energy: 0.5519856810426884
Energy: 0.4815496045716807
Energy: 0.5346347876382822
Energy: 0.5964849436427
Energy: 0.5346347876382822
Energy: 0.5964849436443229
Energy: 0.5346347876382822
Energy: 0.5964849436427
Energy: 0.5073185748125991
Energy: 0.47289237954986885
Energy: 0.5073185748115172
Energy: 0.47289237954986885
Energy: 0.5073185748120581
Energy: 0.47289237954986885
Energy: 0.4896282903666082
Energy: 0.4361567934195127
Energy: 0.4896282903671493
Energy: 0.4361567934195127
Energy: 0.48962829036606725
Energy: 0.4361567934195127
Energy: 0.4946022939405478
Energy: 0.4714274168924112
Energy: 0.4946022939410888
Energy: 0.4714274168924112
Energy: 0.4946022939400068
Energy: 0.4714274168929522
Energy: 0.48531312587991904
Energy: 0.5002773845357139
Energy: 0.48531312587829606
Energy: 0.5002773845357139
Energy: 0.485313125879378
Energy: 0.5002773845372878
Energy: 0.48908773477660417
Energy: 0.43435982599547635
Energy: 0.48908773477606315
Energy: 0.43435982599547635
Energy: 0.48908773477606315
Energy: 0.4343598259960173
Energy: 0.48974132171478746
Energy: 0.43301269987309043
Energy: 0.48974132171478746
Energy: 0.4330126998736314
Energy: 0.48974132171478746
Energy: 0.43301269987309043
Energy: 0.43622781665192334
Energy: 0.5679082145648741
Energy: 0.4362278166508413
Energy: 0.5679082145648741
Energy: 0.43622781665192334
Energy: 0.567908214564333
Energy: 0.555754535312947
Energy: 0.5728839275173772
Energy: 0.5557545353124059
Energy: 0.572883927516836
Energy: 0.5557545353124059
Energy: 0.572883927516836
Energy: 0.47573668614588555
Energy: 0.43785073975820993
Energy: 0.4757366861453446
Energy: 0.43785073975875094
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Energy: 0.43785073975820993
Energy: 0.5044001228983056
Energy: 0.47329645788127006
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Energy: 0.47329645788127006
Energy: 0.5044001228983056
Energy: 0.4732964578818111
Energy: 0.5128022347159248
Energy: 0.5833637931155969
Energy: 0.5128022347164658
Energy: 0.583363793116679
Energy: 0.5128022347164658
Energy: 0.583363793116679
Energy: 0.5373318036338977
Energy: 0.4834397887741254
Energy: 0.5373318036328155
Energy: 0.4834397887741254
Energy: 0.5373318036338977
Energy: 0.4834397887741254
Energy: 0.4964885971532454
Energy: 0.4955302009129666
Energy: 0.4964885971527044
Energy: 0.4955302009124256
Energy: 0.4964885971527044
Energy: 0.4955302009124256
Energy: 0.4563507612775235
Energy: 0.4813502306284537
Energy: 0.4563507612764414
Energy: 0.4813502306279128
Energy: 0.45635076127806445
Energy: 0.4813502306279128
Energy: 0.579491568021869
Energy: 0.5817632872048462
Energy: 0.5794915680224101
Energy: 0.5817632872053872
Energy: 0.5794915680224101
Energy: 0.5817632872053872
Energy: 0.5053950240164659
Energy: 0.4732015945733635
Energy: 0.505395024017007
Energy: 0.4732015945739046
Energy: 0.505395024017007
Energy: 0.4732015945733635
Energy: 0.4816466402241344
Energy: 0.45887133022602633
Energy: 0.4816466402235934
Energy: 0.45887133022386234
Energy: 0.4816466402235934
Energy: 0.4588713302254854
Energy: 0.4356893747904589
Energy: 0.47957318381315206
Energy: 0.43568937478991787
Energy: 0.479573183813693
Energy: 0.4356893747893769
Energy: 0.479573183813693
Energy: 0.47766285914688106
Energy: 0.5035804259498332
Energy: 0.47766285914634
Energy: 0.5035804259476692
Energy: 0.47766285914634
Energy: 0.5035804259487512
Energy: 0.49019741614788365
Energy: 0.4844554899880788
Energy: 0.49019741614788365
Energy: 0.4844554899859147
Energy: 0.49019741614788365
Energy: 0.4844554899875378
Energy: 0.49186824171063476
Energy: 0.4628531316989515
Energy: 0.4918682417100938
Energy: 0.4628531316989515
Energy: 0.49186824171063476
Energy: 0.4628531316989515
Energy: 0.43554909781708445
Energy: 0.560902995674777
Energy: 0.43554909781816653
Energy: 0.560902995674236
Energy: 0.43554909781762546
Energy: 0.560902995674236
Energy: 0.6571716674581705
Energy: 0.5778068152707874
Energy: 0.6571716674576293
Energy: 0.5778068152707874
Energy: 0.6571716674581705
Energy: 0.5778068152707874

minimum gb energy = 0.43301269987309043 eV
minimum distance =  2.62355259004192 Angstroms
sigma value = 41


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

Energy: 0.5424459867745927
Energy: 0.46861750248589945
Energy: 0.5424459867741662
Energy: 0.46861750248589945
Energy: 0.5424459867745927
Energy: 0.46861750248589945
Energy: 0.5612891086617713
Energy: 0.5262558034118043
Energy: 0.5612891086621977
Energy: 0.5262558034122308
Energy: 0.5612891086626048
Energy: 0.5262558034118043
Energy: 0.598603676046301
Energy: 0.5832188512767481
Energy: 0.5986036760467276
Energy: 0.5832188512771747
Energy: 0.5986036760467276
Energy: 0.5832188512767481
Energy: 0.5207016683043242
Energy: 0.4612407652096589
Energy: 0.5207016683047506
Energy: 0.4612407652096589
Energy: 0.5207016683043242
Energy: 0.4612407652100853
Energy: 0.44994879234931145
Energy: 0.48322552872874247
Energy: 0.4499487923488852
Energy: 0.48322552872874247
Energy: 0.44994879234931145
Energy: 0.48322552872874247
Energy: 0.5385239563116808
Energy: 0.5341021678605427
Energy: 0.5385239563121073
Energy: 0.5341021678609691
Energy: 0.5385239563116808
Energy: 0.5341021678613954
Energy: 0.4843133076750568
Energy: 0.5928067242304013
Energy: 0.48431330767548325
Energy: 0.5928067242299748
Energy: 0.48431330767548325
Energy: 0.5928067242299748
Energy: 0.4601294894454349
Energy: 0.4613039427723195
Energy: 0.4601294894454349
Energy: 0.46130394277189307
Energy: 0.4601294894454349
Energy: 0.4613039427723195
Energy: 0.4507658190047797
Energy: 0.461768372654136
Energy: 0.45076581900520607
Energy: 0.4617683726537096
Energy: 0.4507658190047797
Energy: 0.4617683726537096
Energy: 0.52712849863739
Energy: 0.5393706724992277
Energy: 0.5271284986369635
Energy: 0.539370672497522
Energy: 0.5271284986365372
Energy: 0.5393706724983749
Energy: 0.5269118459126095
Energy: 0.538334997206046
Energy: 0.5269118459126095
Energy: 0.5383349972068988
Energy: 0.5269118459126095
Energy: 0.5383349972056196
Energy: 0.4511150876659101
Energy: 0.5162660565954046
Energy: 0.4511150876659101
Energy: 0.5262606620872302
Energy: 0.4511150876654837
Energy: 0.4983974846241738
Energy: 0.4617256223058135
Energy: 0.4626455437255324
Energy: 0.4617256223058135
Energy: 0.4626455437259588
Energy: 0.46172562230538705
Energy: 0.4626455437255324
Energy: 0.44868241597890196
Energy: 0.5281729705638446
Energy: 0.4486824159780491
Energy: 0.528172970563418
Energy: 0.44868241597890196
Energy: 0.5281729705629917
Energy: 0.5389341540637803
Energy: 0.5345626274673562
Energy: 0.5389341540642067
Energy: 0.5345626274677826
Energy: 0.5389341540642067
Energy: 0.5345626274677826
Energy: 0.4514459192357347
Energy: 0.5482271581239607
Energy: 0.4514459192357347
Energy: 0.5482271581248135
Energy: 0.4514459192357347
Energy: 0.5204890558265538
Energy: 0.46054816128230697
Energy: 0.46274100568216375
Energy: 0.46054816128230697
Energy: 0.46274100568259025
Energy: 0.46054816128273335
Energy: 0.46274100568259025
Energy: 0.5401923624191366
Energy: 0.5842932774091576
Energy: 0.5401923624191366
Energy: 0.5842932774091576
Energy: 0.5401923624191366
Energy: 0.5842932774100104
Energy: 0.5285113859225972
Energy: 0.5254255934786232
Energy: 0.5285113859225972
Energy: 0.5254255934786232
Energy: 0.5285113859225972
Energy: 0.5254255934781968
Energy: 0.5443447600928859
Energy: 0.5137855436909126
Energy: 0.5443447600924595
Energy: 0.5137855436909126
Energy: 0.5443447600924595
Energy: 0.5137855436909126
Energy: 0.4509684831303541
Energy: 0.5270640283799044
Energy: 0.45096848313078053
Energy: 0.5270640283803308
Energy: 0.45096848313078053
Energy: 0.5270640283799044
Energy: 0.5081155804890607
Energy: 0.6496503926677709
Energy: 0.5081155804911928
Energy: 0.6496503926677709
Energy: 0.508115580492879
Energy: 0.6496503926677709
Energy: 0.5207210539734344
Energy: 0.4578672819377293
Energy: 0.5207210539742871
Energy: 0.4578672819377293
Energy: 0.5207210539738607
Energy: 0.45786728193815573
Energy: 0.45131173372551653
Energy: 0.5149422856318733
Energy: 0.4513117337259429
Energy: 0.5149422856318733
Energy: 0.4513117337259429
Energy: 0.5149422856318733
Energy: 0.4458320690173092
Energy: 0.5438477772664585
Energy: 0.4458320690173092
Energy: 0.5438477772668849
Energy: 0.44583206901773564
Energy: 0.5438477772668849
Energy: 0.4831252267144635
Energy: 0.5462086931074551
Energy: 0.4831252267153162
Energy: 0.5462086931074551
Energy: 0.48312522671488994
Energy: 0.5462086931078816
Energy: 0.46263029840266195
Energy: 0.4569669081490309
Energy: 0.46263029840308834
Energy: 0.4569669081486044
Energy: 0.46263029840308834
Energy: 0.4569669081490309
Energy: 0.4512688969389847
Energy: 0.5076782463966156
Energy: 0.4512688969389847
Energy: 0.5076782463966156
Energy: 0.4512688969385583
Energy: 0.5076782463966156
Energy: 0.5300340277261901
Energy: 0.532345506531714
Energy: 0.5300340277266165
Energy: 0.532345506531714
Energy: 0.5300340277261901
Energy: 0.532345506531714
Energy: 0.5707305389379096
Energy: 0.5139171875398519
Energy: 0.5707305389379096
Energy: 0.5139171875394255
Energy: 0.5707305389379096
Energy: 0.5139171875385727
Energy: 0.44716112344576514
Energy: 0.5003344175182323
Energy: 0.44716112344576514
Energy: 0.5003344175178058
Energy: 0.44716112344533876
Energy: 0.5003344175178058
Energy: 0.46089762427650227
Energy: 0.46112293608803856
Energy: 0.4608976242769287
Energy: 0.46112293608803856
Energy: 0.46089762427650227
Energy: 0.46112293608803856
Energy: 0.4454167418225403
Energy: 0.5225081274443133
Energy: 0.44541674182296676
Energy: 0.5225081274443133
Energy: 0.4454167418225403
Energy: 0.5225081274443133

minimum gb energy = 0.4454167418225403 eV
minimum distance =  2.63789147426189 Angstroms
sigma value = 33


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

Energy: 0.5037872881811667
Energy: 0.48096778980174365
Energy: 0.4887314782721575
Energy: 0.4809677898014443
Energy: 0.5037872881811667
Energy: 0.4809677898026413
Energy: 0.5806139188953657
Energy: 0.4773722935936881
Energy: 0.5806139188947673
Energy: 0.47737229359338884
Energy: 0.5806139188950665
Energy: 0.47737229359488514
Energy: 0.6257405444709192
Energy: 0.5976458982464897
Energy: 0.6257405444709192
Energy: 0.597645898249183
Energy: 0.62574054447062
Energy: 0.5976458980762941
Energy: 0.5407179927070663
Energy: 0.48458666717795407
Energy: 0.5407179927088619
Energy: 0.4845866671776548
Energy: 0.5407179927070663
Energy: 0.4845866671785526
Energy: 0.4800507932299659
Energy: 0.633901550084761
Energy: 0.4800450598856288
Energy: 0.6339015500844619
Energy: 0.48005079322966665
Energy: 0.6339015500853596
Energy: 0.5974089093247377
Energy: 0.4703716767417468
Energy: 0.5974089093238398
Energy: 0.4703716767417468
Energy: 0.5974089093244384
Energy: 0.47037167674025043
Energy: 0.5272647494163412
Energy: 0.6111488899672297
Energy: 0.5272647494154434
Energy: 0.6111488899684268
Energy: 0.5272647494163412
Energy: 0.6111488899669304
Energy: 0.5455782603851675
Energy: 0.5709939428802827
Energy: 0.5455782603857661
Energy: 0.570993942880582
Energy: 0.5455782603854669
Energy: 0.5709939428826767
Energy: 0.6559377284387434
Energy: 0.49228550213963546
Energy: 0.6559394727997386
Energy: 0.49228550213933625
Energy: 0.6559377284387434
Energy: 0.4922855021375407
Energy: 0.6285574791922768
Energy: 0.48484688361068173
Energy: 0.6285574791931746
Energy: 0.48484688361068173
Energy: 0.628557479192576
Energy: 0.4848468836139736
Energy: 0.5386136981797455
Energy: 0.5236951033629498
Energy: 0.5386136981806433
Energy: 0.5236951033632491
Energy: 0.5386136981797455
Energy: 0.5236951033641469
Energy: 0.6343722896111518
Energy: 0.4840345934531435
Energy: 0.6343722896117502
Energy: 0.4840345934531435
Energy: 0.6343722896111518
Energy: 0.4840345934546397
Energy: 0.47460021685478143
Energy: 0.6409161416824518
Energy: 0.4746002168556792
Energy: 0.6409161416824518
Energy: 0.47460021685537995
Energy: 0.6409161416845467
Energy: 0.5678522550093015
Energy: 0.5352374735068105
Energy: 0.5678522550090024
Energy: 0.5352374735068105
Energy: 0.5678522550090024
Energy: 0.5352374735071098
Energy: 0.5655552864416441
Energy: 0.5126646512160757
Energy: 0.5655552864428411
Energy: 0.5126646512154771
Energy: 0.5655552864416441
Energy: 0.5126646512157765
Energy: 0.49418957520800144
Energy: 0.5906416183960903
Energy: 0.49418957520800144
Energy: 0.5906416183960903
Energy: 0.49418957520830065
Energy: 0.5906416183954918
Energy: 0.6194436744493437
Energy: 0.4805283550379758
Energy: 0.6194436744466504
Energy: 0.4805283550379758
Energy: 0.6194436744496429
Energy: 0.48052835503917285
Energy: 0.4740620917877505
Energy: 0.5365534067453404
Energy: 0.4740601006078238
Energy: 0.5365534067456396
Energy: 0.4740620917877505
Energy: 0.5365534067444426
Energy: 0.634573411403517
Energy: 0.6238368565153404
Energy: 0.6345734114044148
Energy: 0.6238368565171359
Energy: 0.6345734113808007
Energy: 0.6238368565162382
Energy: 0.5495323165300352
Energy: 0.47789565729825895
Energy: 0.5495323165318307
Energy: 0.47789565729795963
Energy: 0.5495323165306336
Energy: 0.47789565729915673
Energy: 0.48162487553409683
Energy: 0.48916949531219456
Energy: 0.4816248755323012
Energy: 0.48916949531219456
Energy: 0.48162487553409683
Energy: 0.48916949531219456
Energy: 0.47752992056783694
Energy: 0.5597504014488454
Energy: 0.47753130725741944
Energy: 0.5597504014488454
Energy: 0.4775299205681362
Energy: 0.5597504014503416
Energy: 0.5674674009380327
Energy: 0.5622878206638395
Energy: 0.5674674009386312
Energy: 0.5622878206638395
Energy: 0.567467400939529
Energy: 0.5622878206641388
Energy: 0.4827923157614534
Energy: 0.6144501748436123
Energy: 0.4827923157623512
Energy: 0.6144501748430138
Energy: 0.4827923157611541
Energy: 0.6144501748430138
Energy: 0.47469024115358444
Energy: 0.48051426805780234
Energy: 0.4746902411547815
Energy: 0.48051426805780234
Energy: 0.4746902411547815
Energy: 0.48051426805810155
Energy: 0.4713046996200942
Energy: 0.5959979664626375
Energy: 0.47130469962188976
Energy: 0.5959979664626375
Energy: 0.47130469962069266
Energy: 0.5959979664653308
Energy: 0.5452479485409026
Energy: 0.5259714544823
Energy: 0.5452479485415012
Energy: 0.5259714544820008
Energy: 0.5452479485412018
Energy: 0.5259714544814023
Energy: 0.5062881101143867
Energy: 0.47057969992890547
Energy: 0.49087542503541437
Energy: 0.47057969992890547
Energy: 0.5062881101137882
Energy: 0.4705796999292047
Energy: 0.49331615443307536
Energy: 0.6412353842380608
Energy: 0.49331615443247684
Energy: 0.6412353842380608
Energy: 0.4933161544333746
Energy: 0.6412353842371631
Energy: 0.486299288755622
Energy: 0.633047535779612
Energy: 0.48629928875382644
Energy: 0.6330475441117233
Energy: 0.486299288755622
Energy: 0.6330475405105702
Energy: 0.5352311199237971
Energy: 0.47624820704442944
Energy: 0.5352311199228994
Energy: 0.4762482070441301
Energy: 0.5352311199237971
Energy: 0.47624820704442944
Energy: 0.4826542284918572
Energy: 0.6361911637998381
Energy: 0.48265875506187517
Energy: 0.6361911638001374
Energy: 0.4826542284921564
Energy: 0.6361911637989404
Energy: 0.6390616446442211
Energy: 0.4758197758781854
Energy: 0.639061644645418
Energy: 0.47581977587758684
Energy: 0.6390616446445202
Energy: 0.47581977587698826
Energy: 0.5331107149150953
Energy: 0.5676645845688565
Energy: 0.53311071491719
Energy: 0.5676645845685573
Energy: 0.5331107149156937
Energy: 0.5676645845685573
Energy: 0.5368662039073306
Energy: 0.5675952288053574
Energy: 0.5368662039073306
Energy: 0.5675952288053574
Energy: 0.5368662039073306
Energy: 0.5675952288029634
Energy: 0.5512203021482854
Energy: 0.4924040446450005
Energy: 0.5511756907079802
Energy: 0.49240404464529974
Energy: 0.5512203021479861
Energy: 0.4924040446438035
Energy: 0.4827711146876714
Energy: 0.6177134309078751
Energy: 0.48277111468826983
Energy: 0.6177134309075758
Energy: 0.4827711146879706
Energy: 0.6177134309081743
Energy: 0.5339262940299255
Energy: 0.47635751092988793
Energy: 0.5339262940299255
Energy: 0.47635751092988793
Energy: 0.5339262940302248
Energy: 0.4763575109313841
Energy: 0.5010220335742779
Energy: 0.6338204178357537
Energy: 0.5010223913826961
Energy: 0.6338204178333597
Energy: 0.5010220335742779
Energy: 0.6338204178261775
Energy: 0.4760501674524572
Energy: 0.5500604996401819
Energy: 0.4760501674524572
Energy: 0.5500604996404811
Energy: 0.47605016745335493
Energy: 0.5500604996410796
Energy: 0.49087888230059656
Energy: 0.4835365331293355
Energy: 0.49087888229880106
Energy: 0.4835365331293355
Energy: 0.49087888230029736
Energy: 0.48353653313053246
Energy: 0.5619439681217043
Energy: 0.5110783488823355
Energy: 0.5619439681205073
Energy: 0.5110783488826347
Energy: 0.5619439681220036
Energy: 0.5110783488823355
Energy: 0.4881539653441039
Energy: 0.5883071509702694
Energy: 0.4881539653420091
Energy: 0.5883071509702694
Energy: 0.4881539653441039
Energy: 0.5883071509681747
Energy: 0.46112595039591636
Energy: 0.4807276658614799
Energy: 0.46112595039621557
Energy: 0.4807276658611807
Energy: 0.4611259503953178
Energy: 0.4807276658623777
Energy: 0.4827591897350297
Energy: 0.535116130320469
Energy: 0.4827588555400773
Energy: 0.5351161303210674
Energy: 0.48275918973473037
Energy: 0.535116130319272
Energy: 0.5670498309105574
Energy: 0.558338026811444
Energy: 0.5670498309105574
Energy: 0.5583380268120424
Energy: 0.5670498309105574
Energy: 0.5583380268087506
Energy: 0.47767278865422
Energy: 0.5436514878057686
Energy: 0.47767278865392065
Energy: 0.5436514878057686
Energy: 0.47767278865422
Energy: 0.5436514878069655

minimum gb energy = 0.4611259503953178 eV
minimum distance =  2.64705686898446 Angstroms
sigma value = 67


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

Energy: 0.44146364377536296
Energy: 0.4283644708077734
Energy: 0.4414636437755448
Energy: 0.4283644708077734
Energy: 0.44146364377595393
Energy: 0.4283644708079779
Energy: 0.4050634009862899
Energy: 0.3919646589255604
Energy: 0.4050634009862899
Energy: 0.391964658925765
Energy: 0.40506340098590354
Energy: 0.391964658925765
Energy: 0.580981515632649
Energy: 0.6313414596378127
Energy: 0.580981515632649
Energy: 0.6313414596376081
Energy: 0.6147664003684764
Energy: 0.6313414596378127
Energy: 0.4050567107730529
Energy: 0.3919504702615973
Energy: 0.40505671077325744
Energy: 0.3919504702615973
Energy: 0.4050567107730529
Energy: 0.3919504702615973
Energy: 0.4414636437755448
Energy: 0.4283644708077734
Energy: 0.44146364377536296
Energy: 0.42836447080756884
Energy: 0.4414636437755448
Energy: 0.42836447080756884
Energy: 0.4050634009861081
Energy: 0.3919646589253558
Energy: 0.40506340098649446
Energy: 0.39196465892494675
Energy: 0.40506340098649446
Energy: 0.3919646589255604
Energy: 0.39290922810704126
Energy: 0.6313414596372219
Energy: 0.3929092281074504
Energy: 0.6313414596372219
Energy: 0.3929092281074504
Energy: 0.6313414596374264

minimum gb energy = 0.3919504702615973 eV
minimum distance =  2.66987055912113 Angstroms
sigma value = 3


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

Energy: 0.6151252698992399
Energy: 0.4897599724278992
Energy: 0.615125269898943
Energy: 0.4897599724273549
Energy: 0.615125269898943
Energy: 0.4897599724271075
Energy: 0.520441945917821
Energy: 0.46971223421615943
Energy: 0.5204419459180685
Energy: 0.4697122342167037
Energy: 0.5204419459175241
Energy: 0.46971223421700065
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Energy: 0.5331365112302053
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Energy: 0.5331365112283248
Energy: 0.5364739140876478
Energy: 0.5331365112291166
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Energy: 0.49260587955567087
Energy: 0.5942735337596915
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Energy: 0.5942735854625604
Energy: 0.4894450904527724
Energy: 0.510799428509748
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Energy: 0.5107994285094511
Energy: 0.5499789953626433
Energy: 0.4795003616726274
Energy: 0.5549504258676525
Energy: 0.4795003616758934
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Energy: 0.6213040481443877
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Energy: 0.5126851281357045
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Energy: 0.491083839398853
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Energy: 0.5101321123702381
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Energy: 0.6110336274236123
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Energy: 0.6110336293159827
Energy: 0.5872337543889806
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Energy: 0.6155825061201037
Energy: 0.5413498535430187
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Energy: 0.5355448128749261
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Energy: 0.5901488781315426
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Energy: 0.6062522295587284
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Energy: 0.5312958903509812
Energy: 0.5871208926248401
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Energy: 0.5312958903512782
Energy: 0.4759842660194167
Energy: 0.5151270974433514
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Energy: 0.514902440223207
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Energy: 0.5154590588234874
Energy: 0.6089167197926908
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Energy: 0.5154590588226957
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Energy: 0.46731830671843105
Energy: 0.6197538340432667
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Energy: 0.48631241102909845
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Energy: 0.6092703184018441
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Energy: 0.51380517352097
Energy: 0.6092703184015471
Energy: 0.47546213366267776
Energy: 0.5549582724588059
Energy: 0.47546213366376633
Energy: 0.554958272460142
Energy: 0.47546213366213336
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Energy: 0.5881500671581237
Energy: 0.5526376553514223
Energy: 0.5881500671673775
Energy: 0.5526376553511748
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Energy: 0.5526376553511748
Energy: 0.5436788449023262
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Energy: 0.5436788449028706
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Energy: 0.5808535838335773
Energy: 0.46979771454563607
Energy: 0.5808535838338743
Energy: 0.4697977145445474
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Energy: 0.4697977145445474
Energy: 0.5692727608033356
Energy: 0.48017017564862297
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Energy: 0.48017017564699
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Energy: 0.5279971464521079
Energy: 0.6171567346435498
Energy: 0.5339874100329238
Energy: 0.6171567346405806
Energy: 0.5339874100323795
Energy: 0.6171567346397394
Energy: 0.5339874100323795
Energy: 0.5523549091896575
Energy: 0.5536086569217606
Energy: 0.5523549091888164
Energy: 0.5536086569239379
Energy: 0.5523549091880244
Energy: 0.5536086569233937
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Energy: 0.607404718365007
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Energy: 0.5194722916798236
Energy: 0.607404718365007
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Energy: 0.5246139712949495
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Energy: 0.48786317651764594
Energy: 0.650484798652466
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Energy: 0.6504847986549402
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Energy: 0.47403566043741835
Energy: 0.6182089042730349
Energy: 0.47403566043717094
Energy: 0.6182089042743709
Energy: 0.5194541950216828
Energy: 0.6073181020740002
Energy: 0.5194542858288387
Energy: 0.6073181020740002
Energy: 0.5194541828080478
Energy: 0.6073181020740002
Energy: 0.47624434806794075
Energy: 0.5381471207345978
Energy: 0.4762443480684851
Energy: 0.5381452162861554
Energy: 0.47624434806794075
Energy: 0.5381447992949824
Energy: 0.6464792160420646
Energy: 0.46492630916371563
Energy: 0.6464792159286441
Energy: 0.46492630916292393
Energy: 0.6464792160037134
Energy: 0.4649263091631713
Energy: 0.49727390509779074
Energy: 0.6409794451034234
Energy: 0.4972739050974938
Energy: 0.6409794451039676
Energy: 0.4972739050967021
Energy: 0.6409794451025821
Energy: 0.5322325837727391
Energy: 0.47032699183785814
Energy: 0.5322325923466255
Energy: 0.47032699183756127
Energy: 0.5322325840752433
Energy: 0.47032699183756127
Energy: 0.6167975958552374
Energy: 0.4929809870407918
Energy: 0.6167975958554849
Energy: 0.49298098704163307
Energy: 0.6167975958557819
Energy: 0.4929809870410887
Energy: 0.5949579219111939
Energy: 0.5146494695591283
Energy: 0.5949579219120352
Energy: 0.5146494695596727
Energy: 0.5949579219125796
Energy: 0.5146494695593757
Energy: 0.5185233175961395
Energy: 0.5873008971290185
Energy: 0.5185233175953476
Energy: 0.5873008971290185
Energy: 0.5185233175955951
Energy: 0.5873008971290185
Energy: 0.5095811543290819
Energy: 0.49539464920597254
Energy: 0.5095811543299231
Energy: 0.4953946492067643
Energy: 0.5095811543299231
Energy: 0.49539464920706117
Energy: 0.476263148286345
Energy: 0.5402835786881061
Energy: 0.47626314828580063
Energy: 0.5402835786881061
Energy: 0.476263148286345
Energy: 0.5402835786883534
Energy: 0.5535087890405435
Energy: 0.5576917666801161
Energy: 0.5535087890410878
Energy: 0.5576917666801161
Energy: 0.5535087890405435
Energy: 0.5576917666790273
Energy: 0.524885838394924
Energy: 0.559064673722126
Energy: 0.524885838394924
Energy: 0.5590646737207403
Energy: 0.524885838394924
Energy: 0.5590646737218291

minimum gb energy = 0.46492630916292393 eV
minimum distance =  2.56131623043847 Angstroms
sigma value = 81


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

Energy: 0.6273501133321038
Energy: 0.5190173393326959
Energy: 0.6273501133317302
Energy: 0.5190173393326959
Energy: 0.6273501133317302
Energy: 0.5190173393326959
Energy: 0.5385814244328699
Energy: 0.48956044020788564
Energy: 0.5385814244328699
Energy: 0.48956044020788564
Energy: 0.5385814244328699
Energy: 0.48956044020676504
Energy: 0.498565057035422
Energy: 0.4710613833269354
Energy: 0.498565057035422
Energy: 0.47106138332805614
Energy: 0.4985650570350484
Energy: 0.4710613833284297
Energy: 0.4905011506528423
Energy: 0.48477150971711525
Energy: 0.4905011506535894
Energy: 0.484771509718983
Energy: 0.4905011506528423
Energy: 0.48477150971786226
Energy: 0.524385278613368
Energy: 0.48674728731946354
Energy: 0.524385278613368
Energy: 0.48674728731909
Energy: 0.5243852786137416
Energy: 0.48674728731946354
Energy: 0.4922464374536349
Energy: 0.518171344580874
Energy: 0.4922464374540085
Energy: 0.5181713445812476
Energy: 0.4922464374536349
Energy: 0.5181713445812476
Energy: 0.5303775004856071
Energy: 0.5625476603787029
Energy: 0.5303775004859806
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Energy: 0.5303775004852336
Energy: 0.5625476603783292
Energy: 0.5813153892723425
Energy: 0.5784416242241767
Energy: 0.5813153892715954
Energy: 0.5784416242238031
Energy: 0.5813153892719689
Energy: 0.5784416242241767
Energy: 0.527000168157195
Energy: 0.5261117071612403
Energy: 0.5270001681568215
Energy: 0.5261117071612403
Energy: 0.527000168157195
Energy: 0.5261117071612403
Energy: 0.5293515510238757
Energy: 0.5881266682417681
Energy: 0.5293515510231286
Energy: 0.5881266549037844
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Energy: 0.5881266611321749
Energy: 0.5150123876619782
Energy: 0.5106373144305905
Energy: 0.5150123876616046
Energy: 0.5106373144294697
Energy: 0.5150123876623518
Energy: 0.5106373144298432
Energy: 0.5525832617512833
Energy: 0.5409491846779926
Energy: 0.5525832617524039
Energy: 0.5409491846787396
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Energy: 0.5409491846787396
Energy: 0.5373816662509812
Energy: 0.5265867516305478
Energy: 0.5373816662513548
Energy: 0.5265867516305478
Energy: 0.5373816662513548
Energy: 0.5265867516301742
Energy: 0.5259908793156256
Energy: 0.5199844806731589
Energy: 0.5259908793156256
Energy: 0.5199844806716647
Energy: 0.5259908793152519
Energy: 0.5199844806742796
Energy: 0.4670576733405343
Energy: 0.47089674484030747
Energy: 0.46705767334090786
Energy: 0.47089674484030747
Energy: 0.4670576733401608
Energy: 0.47089674484068106
Energy: 0.5779599980908839
Energy: 0.5429958746968585
Energy: 0.5779599980912575
Energy: 0.542995874696485
Energy: 0.5779599980908839
Energy: 0.5429958746968585
Energy: 0.5355335502159593
Energy: 0.5213072542696305
Energy: 0.5355335502163328
Energy: 0.5213072542692571
Energy: 0.5355335502163328
Energy: 0.5213072542692571
Energy: 0.5088637123499213
Energy: 0.6596151505519091
Energy: 0.5088637123506684
Energy: 0.6596151505526561
Energy: 0.5088637123502948
Energy: 0.6596151505522826
Energy: 0.4682324860385735
Energy: 0.5082265584154658
Energy: 0.46823248603819984
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Energy: 0.468232486038947
Energy: 0.5082265584154658
Energy: 0.48447118982676146
Energy: 0.5435770553285575
Energy: 0.48447118982750853
Energy: 0.5435804135228913
Energy: 0.4844711898278821
Energy: 0.5436929909744495
Energy: 0.48779031960839225
Energy: 0.5267942765291387
Energy: 0.4877903196095129
Energy: 0.5267942765295123
Energy: 0.4877903196087658
Energy: 0.5267942765291387
Energy: 0.5266993906750808
Energy: 0.5342545505852648
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Energy: 0.5342545505845179
Energy: 0.5266993906750808
Energy: 0.5342545505852648
Energy: 0.6093543500985212
Energy: 0.5200614346820558
Energy: 0.6093543500988948
Energy: 0.5200614346824293
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Energy: 0.5200614346816822
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Energy: 0.5799080203603294
Energy: 0.5785102314793373
Energy: 0.5799080203603294
Energy: 0.5785102314797108
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Energy: 0.5299577578181512
Energy: 0.5247124264642254
Energy: 0.5299577578181512
Energy: 0.524712426463852
Energy: 0.5299577578185248
Energy: 0.4684903697931701
Energy: 0.6265253651104236
Energy: 0.46849036979354364
Energy: 0.6265253651107973
Energy: 0.4684903697924229
Energy: 0.6265253651107973
Energy: 0.5091942188357648
Energy: 0.493000393088441
Energy: 0.5091942188357648
Energy: 0.493000393088441
Energy: 0.5091942188353912
Energy: 0.4930003930880674
Energy: 0.5383273094527523
Energy: 0.5193353584344005
Energy: 0.5383273094534994
Energy: 0.5193353584351476
Energy: 0.5383273094531259
Energy: 0.5193353584347741
Energy: 0.5246905896512093
Energy: 0.5385111250059958
Energy: 0.5246905896515829
Energy: 0.5385111250059958
Energy: 0.5246905896519564
Energy: 0.5385111250063694
Energy: 0.4666848036347638
Energy: 0.47039777913425157
Energy: 0.4666848036347638
Energy: 0.47039777913425157
Energy: 0.4666848036381257
Energy: 0.47039777913462516
Energy: 0.48516171193230784
Energy: 0.4667275493882484
Energy: 0.4851617119326814
Energy: 0.4667275493875013
Energy: 0.4851617119319343
Energy: 0.466727549388622
Energy: 0.5187185000949474
Energy: 0.5797607700869584
Energy: 0.5187185000949474
Energy: 0.579760770087332
Energy: 0.5187185000945739
Energy: 0.579760770087332
Energy: 0.5540389896015806
Energy: 0.5418301856988766
Energy: 0.5540389896015806
Energy: 0.5418308685514339
Energy: 0.554038989601207
Energy: 0.541830715205491
Energy: 0.5630929500185189
Energy: 0.5073998042709882
Energy: 0.5630929500185189
Energy: 0.5073998042713617
Energy: 0.5630929500181454
Energy: 0.5073998042721087
Energy: 0.4980248349237965
Energy: 0.6891532787287874
Energy: 0.49802483492416993
Energy: 0.6891532793142411
Energy: 0.4980248349234229
Energy: 0.689153279147706
Energy: 0.5257470627910613
Energy: 0.530547245151669
Energy: 0.5257470627906877
Energy: 0.5305472451471865
Energy: 0.5257470627903142
Energy: 0.5305472451494277
Energy: 0.5247673336727535
Energy: 0.5545030800004948
Energy: 0.5247673336727535
Energy: 0.5545030800008683
Energy: 0.5247673336727535
Energy: 0.5545030800004948
Energy: 0.5116320092589587
Energy: 0.5203897632131723
Energy: 0.5116320092589587
Energy: 0.5203897632131723
Energy: 0.5116320092574645
Energy: 0.5203897632131723

minimum gb energy = 0.4666848036347638 eV
minimum distance =  2.59031309854907 Angstroms
sigma value = 43


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

Energy: 0.5879573206431407
Energy: 0.5085611167888513
Energy: 0.5879573206431407
Energy: 0.5085611167888513
Energy: 0.5879573206422231
Energy: 0.5085611167888513
Energy: 0.5534789044869187
Energy: 0.4804139991075762
Energy: 0.5534789044869187
Energy: 0.4804139991075762
Energy: 0.5534789044873776
Energy: 0.4804139991075762
Energy: 0.5528849172435093
Energy: 0.6075294130161921
Energy: 0.5528849172439682
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Energy: 0.5649735427541
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Energy: 0.5897309878860535
Energy: 0.49463137494044396
Energy: 0.5897309878865123
Energy: 0.49463137493998505
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Energy: 0.5263267231027668
Energy: 0.506226811940078
Energy: 0.5263267231027668
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Energy: 0.506226811940078
Energy: 0.5369941273611578
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Energy: 0.5194592707779849
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Energy: 0.5194592707784439
Energy: 0.5656960257685459
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Energy: 0.5656960257690048
Energy: 0.49308832963001986
Energy: 0.5249283947990623
Energy: 0.4930883296291022
Energy: 0.5249283947986034
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Energy: 0.6028877001727234
Energy: 0.4760246029944541
Energy: 0.6028877001727234
Energy: 0.4760246029939953
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Energy: 0.4760246029939953
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Energy: 0.576258275698449
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Energy: 0.5762582756966136
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Energy: 0.5700740403326245
Energy: 0.5203223331667057
Energy: 0.5700740403330834
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Energy: 0.5700740403330834
Energy: 0.5203223331671645
Energy: 0.49316608739959966
Energy: 0.5061747866257513
Energy: 0.49316608739822315
Energy: 0.5061747865358608
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Energy: 0.5061747869743225
Energy: 0.5292006449734309
Energy: 0.5208995630863097
Energy: 0.5292006666498914
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Energy: 0.5292006639420989
Energy: 0.5208995630863097
Energy: 0.4757934525708914
Energy: 0.5858111026102552
Energy: 0.47579345257135025
Energy: 0.5858111026102552
Energy: 0.4757934525708914
Energy: 0.5858111026107141
Energy: 0.5352543736491846
Energy: 0.5068411421961653
Energy: 0.5352543736491846
Energy: 0.5068411421961653
Energy: 0.5352543736491846
Energy: 0.5068411421961653
Energy: 0.5602694607645612
Energy: 0.5423042260919648
Energy: 0.56026946076502
Energy: 0.5423042260919648
Energy: 0.56026946076502
Energy: 0.5423042260919648
Energy: 0.5287508267310232
Energy: 0.48188388398302456
Energy: 0.5287508267305644
Energy: 0.48188388398256565
Energy: 0.5287508267305644
Energy: 0.48188388398302456
Energy: 0.5795906730083327
Energy: 0.5394074808955756
Energy: 0.5795906730083327
Energy: 0.5394074808955756
Energy: 0.5795906730087915
Energy: 0.5394074808955756
Energy: 0.5615192205682861
Energy: 0.5389453687417226
Energy: 0.5615192205678271
Energy: 0.5389453687417226
Energy: 0.5615192205682861
Energy: 0.5389453687417226
Energy: 0.5288538283929127
Energy: 0.4820226576857357
Energy: 0.5288538283929127
Energy: 0.48202265768665337
Energy: 0.5288538283929127
Energy: 0.4820226576857357
Energy: 0.49987872041607045
Energy: 0.549873287518936
Energy: 0.4998787204165293
Energy: 0.549873287518936
Energy: 0.49987872041607045
Energy: 0.5498732875184772
Energy: 0.564187173798488
Energy: 0.5393037018199909
Energy: 0.5641871737980292
Energy: 0.5393037018199909
Energy: 0.5641871737980292
Energy: 0.5393037018199909
Energy: 0.4759459141053501
Energy: 0.5623336628693176
Energy: 0.4759459141053501
Energy: 0.5617025032101388
Energy: 0.4759459141053501
Energy: 0.5622699576822281
Energy: 0.5300960643544012
Energy: 0.5763612160129052
Energy: 0.5300960643539422
Energy: 0.576361216013364
Energy: 0.5300960643544012
Energy: 0.5763612160129052
Energy: 0.4928203343174843
Energy: 0.4993779478585563
Energy: 0.4928203343174843
Energy: 0.4993779478585563
Energy: 0.4928203343179431
Energy: 0.49937794786314477
Energy: 0.5936748869858135
Energy: 0.5352186759430895
Energy: 0.5936748869853545
Energy: 0.5352186759435483
Energy: 0.5936748869858135
Energy: 0.5352186759440072
Energy: 0.513083521549037
Energy: 0.5509678459196021
Energy: 0.513083521549037
Energy: 0.5509678459196021
Energy: 0.513083521549037
Energy: 0.5509678459191434
Energy: 0.5697675302086401
Energy: 0.4750124024456414
Energy: 0.5697675302086401
Energy: 0.4750124024456414
Energy: 0.5697675302086401
Energy: 0.4750124024447237
Energy: 0.49275008418534827
Energy: 0.5263244628144532
Energy: 0.4927500841848895
Energy: 0.5263244628144532
Energy: 0.4927500841839718
Energy: 0.5263244628144532
Energy: 0.5245575358880635
Energy: 0.5385786113144678
Energy: 0.5245575358889811
Energy: 0.538578611311256
Energy: 0.5245575358880635
Energy: 0.5385786113140091
Energy: 0.538238922972446
Energy: 0.520732995549423
Energy: 0.538238922972446
Energy: 0.5207329955489641
Energy: 0.538238922972446
Energy: 0.520732995549423

minimum gb energy = 0.4750124024447237 eV
minimum distance =  2.65598768469469 Angstroms
sigma value = 57


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

Energy: 0.5318886368283371
Energy: 0.47954769313228945
Energy: 0.531888636827743
Energy: 0.47954769313228945
Energy: 0.531888636827743
Energy: 0.47954769313288353
Energy: 0.5069188050634155
Energy: 0.45348460720389433
Energy: 0.5069188050634155
Energy: 0.45348460720389433
Energy: 0.5069188050634155
Energy: 0.45348460720389433
Energy: 0.5427419831543313
Energy: 0.5649622869210152
Energy: 0.5427419831537372
Energy: 0.5649622869210152
Energy: 0.5427419831543313
Energy: 0.5649622869216093
Energy: 0.6638644562250715
Energy: 0.5019514856259193
Energy: 0.6638644564020314
Energy: 0.5019514856259193
Energy: 0.663864456204305
Energy: 0.5019514856259193
Energy: 0.6467623071697483
Energy: 0.5686450168374209
Energy: 0.6467623071697483
Energy: 0.5686450168374209
Energy: 0.6467623071697483
Energy: 0.5686450168374209
Energy: 0.5420593386069105
Energy: 0.5369396437906682
Energy: 0.5420593386063164
Energy: 0.5369396437918564
Energy: 0.5420593386063164
Energy: 0.5369396437918564
Energy: 0.5351690807652858
Energy: 0.5545522645974296
Energy: 0.5351690807652858
Energy: 0.5545522645968355
Energy: 0.5351690807658798
Energy: 0.5545522645974296
Energy: 0.5540405725541306
Energy: 0.48045041332532157
Energy: 0.5540405725547248
Energy: 0.4804504133259157
Energy: 0.5540405725541306
Energy: 0.48045041332532157
Energy: 0.5936611635087475
Energy: 0.5270036229071032
Energy: 0.5936611635087475
Energy: 0.5270036229071032
Energy: 0.5936611635087475
Energy: 0.5270036229071032
Energy: 0.46049504176080913
Energy: 0.5362766583631181
Energy: 0.4604950417602151
Energy: 0.536276658362524
Energy: 0.4604950417602151
Energy: 0.5362766583631181
Energy: 0.5350038543082483
Energy: 0.5020207586062404
Energy: 0.5350038543082483
Energy: 0.5020207586062404
Energy: 0.5350038543088425
Energy: 0.5020207586062404
Energy: 0.5983313214955905
Energy: 0.5161211632949564
Energy: 0.5983313214955905
Energy: 0.5161211579771637
Energy: 0.5983313214955905
Energy: 0.5161216020417919
Energy: 0.5092362526370582
Energy: 0.52722240691289
Energy: 0.5092362526370582
Energy: 0.52722240691289
Energy: 0.5092362526370582
Energy: 0.52722240691289
Energy: 0.5788450759582722
Energy: 0.4577155766653879
Energy: 0.5788450759588664
Energy: 0.4577155766653879
Energy: 0.5788450759588664
Energy: 0.4577155766653879
Energy: 0.5302953978912021
Energy: 0.5170363663274086
Energy: 0.5302953978912021
Energy: 0.5170363663274086
Energy: 0.5302953978912021
Energy: 0.5170363663274086
Energy: 0.5929196308620654
Energy: 0.5004171820105244
Energy: 0.5929196308620654
Energy: 0.5004171820099302
Energy: 0.5929196308614714
Energy: 0.5004171820111185
Energy: 0.45702765067189965
Energy: 0.5069103929647736
Energy: 0.4570276506713055
Energy: 0.5069103929647736
Energy: 0.4570276506713055
Energy: 0.5069103929641795
Energy: 0.5331090437230737
Energy: 0.5095440686003034
Energy: 0.5331090437230737
Energy: 0.5095440686003034
Energy: 0.5331090437224796
Energy: 0.5095440686003034
Energy: 0.4570501843794049
Energy: 0.5068933619042916
Energy: 0.457050184379999
Energy: 0.5068933619042916
Energy: 0.4570501843794049
Energy: 0.5068933619042916
Energy: 0.5927667512435119
Energy: 0.5004723903847086
Energy: 0.5927667512429177
Energy: 0.5004723903847086
Energy: 0.5927667512435119
Energy: 0.5004723903847086
Energy: 0.5303670346624864
Energy: 0.5171369301733905
Energy: 0.5303670346624864
Energy: 0.5171369301733905
Energy: 0.5303670346624864
Energy: 0.5171369301733905
Energy: 0.5788806209583621
Energy: 0.4939598806957894
Energy: 0.578880620957768
Energy: 0.4939598806957894
Energy: 0.578880620957768
Energy: 0.4939598806957894
Energy: 0.5091577352509585
Energy: 0.5272784982178973
Energy: 0.5091577352509585
Energy: 0.5272784982178973
Energy: 0.5091577352509585
Energy: 0.5272784982178973
Energy: 0.5983358119235337
Energy: 0.5160983428887436
Energy: 0.5983358119229396
Energy: 0.5160983284799646
Energy: 0.5983358119235337
Energy: 0.5160983279971795

minimum gb energy = 0.45348460720389433 eV
minimum distance =  2.55443346544842 Angstroms
sigma value = 17


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

Energy: 0.5970141127112978
Energy: 0.475063250142788
Energy: 0.5970141127112978
Energy: 0.475063250142788
Energy: 0.5970141127112978
Energy: 0.475063250142788
Energy: 0.5123594460711429
Energy: 0.45119896550676364
Energy: 0.5123594460711429
Energy: 0.45119896550676364
Energy: 0.5123594460711429
Energy: 0.4511989655059234
Energy: 0.4972593512237259
Energy: 0.5117133217088456
Energy: 0.4972593512237259
Energy: 0.5117133217088456
Energy: 0.4972593512237259
Energy: 0.5117133217088456
Energy: 0.5651760710521968
Energy: 0.4964811352578105
Energy: 0.5651760710513566
Energy: 0.4964811352578105
Energy: 0.5651760710513566
Energy: 0.4964811352578105
Energy: 0.5636074940248169
Energy: 0.5638612802411657
Energy: 0.5636074940248169
Energy: 0.5638612802411657
Energy: 0.5636074940248169
Energy: 0.5638612802411657
Energy: 0.4822056967126754
Energy: 0.5097088351872214
Energy: 0.4822056967126754
Energy: 0.5097088351872214
Energy: 0.4822056967126754
Energy: 0.5097088351872214
Energy: 0.49451876643515996
Energy: 0.4552137889517681
Energy: 0.49451876643515996
Energy: 0.45521378895260833
Energy: 0.49451876643515996
Energy: 0.4552137889517681
Energy: 0.5650422573694082
Energy: 0.5619970604850769
Energy: 0.5650422573694082
Energy: 0.5619970604850769
Energy: 0.5650422573685678
Energy: 0.561997060485917
Energy: 0.4855187975562957
Energy: 0.4510057266031133
Energy: 0.4855187975562957
Energy: 0.4510057266039535
Energy: 0.4855187975571359
Energy: 0.4510057266031133
Energy: 0.4705749134374815
Energy: 0.4584101383488258
Energy: 0.47057491343832164
Energy: 0.4584101383488258
Energy: 0.4705749134374815
Energy: 0.4584101383488258
Energy: 0.4692927238917176
Energy: 0.5123146246172964
Energy: 0.4692927238917176
Energy: 0.5123146246172964
Energy: 0.4692927238917176
Energy: 0.5123146246172964
Energy: 0.5555290412525724
Energy: 0.5690741085900021
Energy: 0.5555290412525724
Energy: 0.5690741085900021
Energy: 0.5555290412525724
Energy: 0.5690741085900021
Energy: 0.43570483463602994
Energy: 0.5093883378421937
Energy: 0.43570483463602994
Energy: 0.5093883378421937
Energy: 0.43570483463602994
Energy: 0.5093883378413536
Energy: 0.4781801700663818
Energy: 0.5087103427062776
Energy: 0.4781801700663818
Energy: 0.5087103427071178
Energy: 0.4781801700663818
Energy: 0.5087103427062776
Energy: 0.48186820151302767
Energy: 0.5653146415083322
Energy: 0.48186820151302767
Energy: 0.5653146415083322
Energy: 0.48186820151302767
Energy: 0.5653146415083322
Energy: 0.4816889793730374
Energy: 0.6121734251315227
Energy: 0.4816889793730374
Energy: 0.6121734251315227
Energy: 0.4816889793721972
Energy: 0.6121734251315227
Energy: 0.47700717138571247
Energy: 0.5092625217374889
Energy: 0.47700717138571247
Energy: 0.5092625217374889
Energy: 0.47700717138571247
Energy: 0.5092625217374889

minimum gb energy = 0.43570483463602994 eV
minimum distance =  2.62377137936683 Angstroms
sigma value = 17


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

Energy: 0.5707525653712302
Energy: 0.4414472341510592
Energy: 0.5707525653712302
Energy: 0.4414472341504102
Energy: 0.5707525653709057
Energy: 0.4414472341504102
Energy: 0.4971167112248852
Energy: 0.5062814134217297
Energy: 0.4971167112245608
Energy: 0.5062814134214053
Energy: 0.4971167112245608
Energy: 0.5062814134223786
Energy: 0.46500203459951
Energy: 0.4931485837944455
Energy: 0.4650020345978878
Energy: 0.4931485837944455
Energy: 0.46500203459918554
Energy: 0.4931485837944455
Energy: 0.5381308586033775
Energy: 0.45669205050260403
Energy: 0.5381308586033775
Energy: 0.45669205050260403
Energy: 0.5381308586033775
Energy: 0.45669205050292855
Energy: 0.566443703325316
Energy: 0.4883491629581115
Energy: 0.5664437033246672
Energy: 0.488349162957787
Energy: 0.5664437033246672
Energy: 0.488349162957787
Energy: 0.46462809092291457
Energy: 0.43162903163765565
Energy: 0.464628090923239
Energy: 0.43162903163765565
Energy: 0.4646280909235634
Energy: 0.43162903163765565
Energy: 0.49694651644720267
Energy: 0.4509429088575119
Energy: 0.49694651644622934
Energy: 0.4509429088571874
Energy: 0.4969465164465538
Energy: 0.4509429088571874
Energy: 0.5364464895280173
Energy: 0.5301905148327107
Energy: 0.5364464895276928
Energy: 0.5301905148333597
Energy: 0.5364464895280173
Energy: 0.5301905148330351
Energy: 0.45666804058782223
Energy: 0.45911468834498703
Energy: 0.4566680405884712
Energy: 0.45911468834498703
Energy: 0.4566680405881467
Energy: 0.4591146883453115
Energy: 0.4985902576490536
Energy: 0.41218488114598234
Energy: 0.4985902576484047
Energy: 0.41218488114565793
Energy: 0.49859025764937803
Energy: 0.41218488114598234
Energy: 0.5417608062834173
Energy: 0.5179985993251004
Energy: 0.5417608062834173
Energy: 0.5179985993254248
Energy: 0.5417608062837417
Energy: 0.5179985993254248
Energy: 0.4656113493619058
Energy: 0.5497884360226852
Energy: 0.4656113493625546
Energy: 0.5497884360226852
Energy: 0.4656113493619058
Energy: 0.5497884360223607
Energy: 0.5075047694222549
Energy: 0.4873886481169277
Energy: 0.5075047694222549
Energy: 0.4873886481172522
Energy: 0.5075047694225794
Energy: 0.4873886481172522
Energy: 0.44674336796548697
Energy: 0.47912534576053634
Energy: 0.4467433679648381
Energy: 0.47912534576053634
Energy: 0.44674336796548697
Energy: 0.4791253457602119
Energy: 0.5256809804515878
Energy: 0.5466112052360292
Energy: 0.5256809804522368
Energy: 0.5466112052360292
Energy: 0.5256809804522368
Energy: 0.5466112052360292
Energy: 0.41434481492636827
Energy: 0.49938344632131043
Energy: 0.41434481492636827
Energy: 0.49938344632131043
Energy: 0.41434481492636827
Energy: 0.49938344632098597
Energy: 0.44641240340183846
Energy: 0.45705669492853906
Energy: 0.44641240340183846
Energy: 0.45705669492886347
Energy: 0.446412403401514
Energy: 0.45705669492853906
Energy: 0.46130847663309815
Energy: 0.5301564675284983
Energy: 0.46130847662985364
Energy: 0.5301564675284983
Energy: 0.46130847662985364
Energy: 0.5301564675288227
Energy: 0.4498682635133876
Energy: 0.5692869449737324
Energy: 0.4498682635130632
Energy: 0.5692869449737324
Energy: 0.4498682635127388
Energy: 0.5692869449737324
Energy: 0.44593442535897354
Energy: 0.45732312268301695
Energy: 0.44593442535994693
Energy: 0.45732312268269254
Energy: 0.445934425359298
Energy: 0.45732312268301695
Energy: 0.4498195401737385
Energy: 0.5693850034181309
Energy: 0.4498195401743874
Energy: 0.5693850034181309
Energy: 0.449819540173414
Energy: 0.5693850034181309
Energy: 0.4612689696800829
Energy: 0.5301967106653388
Energy: 0.46126896967975856
Energy: 0.5301967106653388
Energy: 0.4612689696800829
Energy: 0.5301967106653388
Energy: 0.44639330006818223
Energy: 0.456951781137565
Energy: 0.44639330006850664
Energy: 0.4569517811378895
Energy: 0.44639330006883116
Energy: 0.456951781137565
Energy: 0.41429465868839427
Energy: 0.5317734121490824
Energy: 0.41429465868644766
Energy: 0.5317734121487578
Energy: 0.41429465868612314
Energy: 0.5317734121487578
Energy: 0.5255353016355478
Energy: 0.5466006433463334
Energy: 0.5255353016355478
Energy: 0.5466006433463334
Energy: 0.5255353016352234
Energy: 0.5466006433463334
Energy: 0.44667587211496607
Energy: 0.47904962084988784
Energy: 0.4466758721159394
Energy: 0.47904962084988784
Energy: 0.4466758721159394
Energy: 0.47904962084988784
Energy: 0.5075711953743343
Energy: 0.4873985045359301
Energy: 0.5075711953740099
Energy: 0.4873985045362546
Energy: 0.5075711953740099
Energy: 0.4873985045356057
Energy: 0.46563031424353046
Energy: 0.5497510067186585
Energy: 0.46563031424353046
Energy: 0.549751006718983
Energy: 0.4656303142441794
Energy: 0.549751006718983
Energy: 0.5417647607174269
Energy: 0.5179245983045938
Energy: 0.5417647607171023
Energy: 0.5179245983049183
Energy: 0.5417647607174269
Energy: 0.5179245983052427
Energy: 0.498525985073438
Energy: 0.4715798765188236
Energy: 0.498525985073438
Energy: 0.4715798765188236
Energy: 0.49852598507376245
Energy: 0.4715798765188236
Energy: 0.4566679197516483
Energy: 0.45903467690659455
Energy: 0.4566679197526216
Energy: 0.4590346769059456
Energy: 0.4566679197522972
Energy: 0.4590346769049723
Energy: 0.5364710343137984
Energy: 0.5301669331421494
Energy: 0.5364710343137984
Energy: 0.5301669331415004
Energy: 0.5364710343131495
Energy: 0.5301669331415004
Energy: 0.4968983869275998
Energy: 0.4444692301877406
Energy: 0.4968983869275998
Energy: 0.44446923018806506
Energy: 0.4968983869272754
Energy: 0.4444692301877406
Energy: 0.4646398836480157
Energy: 0.4329401243093278
Energy: 0.4646398836480157
Energy: 0.4329401243090033
Energy: 0.4646398836483401
Energy: 0.4329401243090033
Energy: 0.5665536326390131
Energy: 0.4885724707956307
Energy: 0.5665536326393377
Energy: 0.4885724707959551
Energy: 0.5665536326386887
Energy: 0.4885724707956307
Energy: 0.5381356132215558
Energy: 0.4569570354972879
Energy: 0.5381356132215558
Energy: 0.4569570354972879
Energy: 0.5381356132215558
Energy: 0.45695703549761224
Energy: 0.46495987270234745
Energy: 0.49315628925302796
Energy: 0.46495987270202305
Energy: 0.4931562892533524
Energy: 0.46495987270234745
Energy: 0.4931562892533524
Energy: 0.4971801714299296
Energy: 0.4322693143222006
Energy: 0.4971801714292808
Energy: 0.4322693143225251
Energy: 0.4971801714299296
Energy: 0.4322693143234984
Energy: 0.5707525653715546
Energy: 0.4414472341500858
Energy: 0.5707525653715546
Energy: 0.4414472341497614
Energy: 0.5707525653715546
Energy: 0.44144723414943693
Energy: 0.49711671122553414
Energy: 0.4309027057238707
Energy: 0.4971167112248852
Energy: 0.4309027057235462
Energy: 0.49711671122520973
Energy: 0.4309027057238707
Energy: 0.46500203459918554
Energy: 0.49314858379379656
Energy: 0.4650020345985366
Energy: 0.493148583794121
Energy: 0.4650020345985366
Energy: 0.49314858379379656
Energy: 0.5381308586046751
Energy: 0.45625150171362394
Energy: 0.5381308586046751
Energy: 0.456251501713329
Energy: 0.5381308586046751
Energy: 0.45625150171362394
Energy: 0.5664437033259649
Energy: 0.4883491629574626
Energy: 0.5664437033256404
Energy: 0.4883491629574626
Energy: 0.5664437033249916
Energy: 0.488349162957787

minimum gb energy = 0.41218488114565793 eV
minimum distance =  2.53233032326336 Angstroms
sigma value = 57


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

Energy: 0.5451033961873631
Energy: 0.41268624581683483
Energy: 0.5451033961878915
Energy: 0.41268624581683483
Energy: 0.5451033961873631
Energy: 0.41268624581683483
Energy: 0.45893145562186993
Energy: 0.4649243711281078
Energy: 0.45893145562186993
Energy: 0.4649243711281078
Energy: 0.4589314556223982
Energy: 0.4649243711286361
Energy: 0.44228480280639476
Energy: 0.4642975485784787
Energy: 0.4422848028058665
Energy: 0.46429754857795047
Energy: 0.4422848028058665
Energy: 0.4642975485784787
Energy: 0.5158206249577583
Energy: 0.44033026916805107
Energy: 0.5158206249577583
Energy: 0.44033026916805107
Energy: 0.5158206249577583
Energy: 0.44033026916752277
Energy: 0.5161916884141099
Energy: 0.4043353385975667
Energy: 0.5161916884135817
Energy: 0.4043353385975667
Energy: 0.5161916884125252
Energy: 0.40433533859651016
Energy: 0.4358456505329685
Energy: 0.4063921225593148
Energy: 0.4358456505329685
Energy: 0.4063921225598431
Energy: 0.4358456505324402
Energy: 0.4063921225587865
Energy: 0.5102283742834278
Energy: 0.43085645928011035
Energy: 0.5102283742834278
Energy: 0.43085645928011035
Energy: 0.5102283742823713
Energy: 0.4308564592795821
Energy: 0.4967966830193395
Energy: 0.5041582774925474
Energy: 0.49679668301881125
Energy: 0.5041582774930756
Energy: 0.49679668301881125
Energy: 0.5041582774925474
Energy: 0.413258360444186
Energy: 0.40818187939781697
Energy: 0.41325836044260117
Energy: 0.40818187939781697
Energy: 0.4132583604420729
Energy: 0.40818187939781697
Energy: 0.4670409738896349
Energy: 0.418014993181868
Energy: 0.4670409738906914
Energy: 0.4180149931813397
Energy: 0.4670409738896349
Energy: 0.4180149931813397
Energy: 0.50345765153238
Energy: 0.5039248271917632
Energy: 0.5034576515318517
Energy: 0.5039248271922916
Energy: 0.50345765153238
Energy: 0.5039248271917632
Energy: 0.4264442225842476
Energy: 0.5080916330566683
Energy: 0.42644422258371933
Energy: 0.5080916330582531
Energy: 0.42644422258371933
Energy: 0.5080916330582531
Energy: 0.46581962380584874
Energy: 0.4512875944318686
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Energy: 0.4512875944313403
Energy: 0.46581962380584874
Energy: 0.4512875944318686
Energy: 0.5173722629595238
Energy: 0.46914018214239644
Energy: 0.5173722629595238
Energy: 0.4691401821429247
Energy: 0.517372262960052
Energy: 0.4691401821429247
Energy: 0.43954687915556245
Energy: 0.5258676003918721
Energy: 0.43954687915609075
Energy: 0.5258676003913438
Energy: 0.43954687915609075
Energy: 0.5258676003913438
Energy: 0.4726578247452999
Energy: 0.4616165503670001
Energy: 0.4726578247452999
Energy: 0.46161655036647187
Energy: 0.4726578247458281
Energy: 0.4616165503670001
Energy: 0.479821489222001
Energy: 0.45657078583666433
Energy: 0.4798214892214728
Energy: 0.45657078583719257
Energy: 0.4798214892214728
Energy: 0.45657078583666433
Energy: 0.48829110468367326
Energy: 0.5238966580832849
Energy: 0.48829110468525805
Energy: 0.5238966580832849
Energy: 0.4882911046842015
Energy: 0.5238966580827566
Energy: 0.46348322296098393
Energy: 0.47715376212335076
Energy: 0.4634832229604556
Energy: 0.47715376212335076
Energy: 0.46348322296098393
Energy: 0.477153762123879
Energy: 0.4645063028104477
Energy: 0.4352699909946778
Energy: 0.4645063028099194
Energy: 0.4352699909952061
Energy: 0.4645063028099194
Energy: 0.4352699909946778
Energy: 0.451037786603283
Energy: 0.5042846936092097
Energy: 0.4510377866022265
Energy: 0.5042846936086814
Energy: 0.451037786603283
Energy: 0.5042846936092097
Energy: 0.39151797933896737
Energy: 0.5313258883344804
Energy: 0.39151797933896737
Energy: 0.5313258883344804
Energy: 0.3915179793394956
Energy: 0.5313258883344804
Energy: 0.4180990407941987
Energy: 0.42618627009801674
Energy: 0.41809904079472693
Energy: 0.42618627009854504
Energy: 0.41809904079472693
Energy: 0.42618627009801674
Energy: 0.43195782308357733
Energy: 0.5557773790501611
Energy: 0.43195782308357733
Energy: 0.5557773790496328
Energy: 0.4319578230841056
Energy: 0.5557773790496328
Energy: 0.4494200440103052
Energy: 0.5021303052732738
Energy: 0.4494200440108335
Energy: 0.5021303052727455
Energy: 0.4494200440124183
Energy: 0.5021303052727455
Energy: 0.4117849499704288
Energy: 0.42598106166910543
Energy: 0.41178494996990056
Energy: 0.42598106166910543
Energy: 0.41178494996990056
Energy: 0.42598106166910543
Energy: 0.399031682683988
Energy: 0.4771809547490273
Energy: 0.399031682683988
Energy: 0.4771809547469141
Energy: 0.3990316826845162
Energy: 0.4771809547490273

minimum gb energy = 0.39151797933896737 eV
minimum distance =  2.54219924033171 Angstroms
sigma value = 43


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

Energy: 0.5012100254984381
Energy: 0.3745077998929532
Energy: 0.501210025498823
Energy: 0.3745077998929532
Energy: 0.5012100254984381
Energy: 0.3745077998929532
Energy: 0.40425923954445897
Energy: 0.4169665826570983
Energy: 0.40425923954407406
Energy: 0.41696658265748315
Energy: 0.40425923954445897
Energy: 0.4169665826570983
Energy: 0.3950247487227646
Energy: 0.4179336296177581
Energy: 0.39502474872314947
Energy: 0.4179336296177581
Energy: 0.39502474872314947
Energy: 0.4179336296173732
Energy: 0.4743773607262906
Energy: 0.38179840623123634
Energy: 0.4743773607262906
Energy: 0.38179840623162126
Energy: 0.4743773607262906
Energy: 0.38179840623123634
Energy: 0.44600992619396423
Energy: 0.40494469309511116
Energy: 0.4460099261935793
Energy: 0.40494469309511116
Energy: 0.44600992619396423
Energy: 0.4049446930947263
Energy: 0.3787074621108838
Energy: 0.40635061848153176
Energy: 0.37870746211126866
Energy: 0.40635061848191667
Energy: 0.3787074621108838
Energy: 0.4063506184811469
Energy: 0.45573827469309763
Energy: 0.37762268642065144
Energy: 0.4557382746927127
Energy: 0.3776226864198816
Energy: 0.4557382746927127
Energy: 0.3776226864198816
Energy: 0.47252410948731943
Energy: 0.44454441738118006
Energy: 0.47252410948731943
Energy: 0.44454441738118006
Energy: 0.47252410948731943
Energy: 0.44454441738118006
Energy: 0.3696967710429238
Energy: 0.40372309491256275
Energy: 0.3696967710429238
Energy: 0.40372309491256275
Energy: 0.3696967710429238
Energy: 0.40372309491256275
Energy: 0.4873535810419204
Energy: 0.36402929290630553
Energy: 0.4873535810419204
Energy: 0.3640292929070753
Energy: 0.48735358104230536
Energy: 0.3640292929066904
Energy: 0.4371027246956389
Energy: 0.4364025876953169
Energy: 0.4371027246952539
Energy: 0.43640258769493195
Energy: 0.4371027246956389
Energy: 0.43640258769493195
Energy: 0.3875320523961587
Energy: 0.4031097584816161
Energy: 0.3875320523961587
Energy: 0.4031097584820011
Energy: 0.3875320523961587
Energy: 0.4031097584816161
Energy: 0.4098804487461984
Energy: 0.35518816270354764
Energy: 0.4098804487454286
Energy: 0.3551881627027778
Energy: 0.4098804487454286
Energy: 0.3551881627023929
Energy: 0.4453418978866142
Energy: 0.4429396209447058
Energy: 0.44534189788699907
Energy: 0.4429396209447058
Energy: 0.4453418978866142
Energy: 0.4429396209447058
Energy: 0.36462804142273675
Energy: 0.4030484618444195
Energy: 0.36462804142273675
Energy: 0.40304846184287996
Energy: 0.3646280414223518
Energy: 0.4030484618440346
Energy: 0.41471796275930956
Energy: 0.3764133400624243
Energy: 0.4147179627600794
Energy: 0.3764133400624243
Energy: 0.41471796275930956
Energy: 0.3764133400624243
Energy: 0.4518677093383683
Energy: 0.44272371539083555
Energy: 0.4518677093391381
Energy: 0.44272371539083555
Energy: 0.4518677093383683
Energy: 0.44272371539045063
Energy: 0.3706701073150089
Energy: 0.460117989730093
Energy: 0.3706701073153938
Energy: 0.460117989730093
Energy: 0.37067010731462396
Energy: 0.4601179897308628
Energy: 0.4055125778561835
Energy: 0.39287513555168435
Energy: 0.4055125778561835
Energy: 0.39287513555168435
Energy: 0.40551257785656836
Energy: 0.39287513555168435
Energy: 0.46283552708518483
Energy: 0.44698128563304557
Energy: 0.46283552708591963
Energy: 0.44698128563266076
Energy: 0.46283552708518483
Energy: 0.44698128563266076
Energy: 0.3849291292276742
Energy: 0.49181399460591374
Energy: 0.3849291292276742
Energy: 0.49181399460591374
Energy: 0.38492912922805905
Energy: 0.49181399460591374
Energy: 0.42072548161052936
Energy: 0.4059338812597459
Energy: 0.42072548161168416
Energy: 0.4059338812593609
Energy: 0.42072548161091433
Energy: 0.4059338812593609
Energy: 0.4241228329998757
Energy: 0.40049624077624224
Energy: 0.4241228329998757
Energy: 0.4004962407766271
Energy: 0.4241228330006455
Energy: 0.4004962407766271
Energy: 0.42499358287056416
Energy: 0.4910515725709988
Energy: 0.42499358287094907
Energy: 0.4910515725709988
Energy: 0.4249935828717189
Energy: 0.4910515725709988
Energy: 0.4048637695271975
Energy: 0.4054634109596177
Energy: 0.40486376952758246
Energy: 0.40546341095846306
Energy: 0.40486376952758246
Energy: 0.40546341095884797
Energy: 0.4041952885953978
Energy: 0.38287210083186207
Energy: 0.4041952885953978
Energy: 0.38287210083186207
Energy: 0.40419528859501286
Energy: 0.38287210083186207
Energy: 0.3941009148842585
Energy: 0.4665443976754643
Energy: 0.3941009148842585
Energy: 0.46654439767584927
Energy: 0.39410091488464344
Energy: 0.4665443976754643
Energy: 0.33712037631378844
Energy: 0.39843522770321765
Energy: 0.33712037631378844
Energy: 0.39843522770283274
Energy: 0.33712037631378844
Energy: 0.3984352277024478
Energy: 0.3599275243549519
Energy: 0.36811145868076844
Energy: 0.35992752435533676
Energy: 0.36811145868038353
Energy: 0.3599275243549519
Energy: 0.36811145868076844
Energy: 0.36333537783962716
Energy: 0.45003382682913357
Energy: 0.36333537783962716
Energy: 0.45003382682913357
Energy: 0.36333537783962716
Energy: 0.45003382682913357
Energy: 0.39357763248299343
Energy: 0.48316005599911
Energy: 0.39357763248299343
Energy: 0.48316005599911
Energy: 0.39357763248299343
Energy: 0.48316005599911
Energy: 0.401410575214951
Energy: 0.3627842550853199
Energy: 0.401410575214951
Energy: 0.3627842550853199
Energy: 0.401410575214951
Energy: 0.3627842550853199
Energy: 0.3556294071476875
Energy: 0.4827935357104006
Energy: 0.3556294071476875
Energy: 0.4827935357104006
Energy: 0.3556294071476875
Energy: 0.48279353571078554
Energy: 0.4430239120194654
Energy: 0.4413755870553485
Energy: 0.44302391201985025
Energy: 0.4413755870549636
Energy: 0.44302391201985025
Energy: 0.4413755870553485
Energy: 0.40083402134339263
Energy: 0.38407648276914513
Energy: 0.4008340213422379
Energy: 0.38407648276914513
Energy: 0.4008340213430077
Energy: 0.3840764827687602
Energy: 0.3341379080061509
Energy: 0.4048106133832563
Energy: 0.3341379080061509
Energy: 0.4048106133832563
Energy: 0.3341379080061509
Energy: 0.4048106133832563

minimum gb energy = 0.3341379080061509 eV
minimum distance =  2.54922701785691 Angstroms
sigma value = 81


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

Energy: 0.08365582971223977
Energy: 0.10648693943829955
Energy: 0.08365582971223977
Energy: 0.10648693943815492
Energy: 0.0836558297123844
Energy: 0.10648693943788172
Energy: 0.24137465956616233
Energy: 0.08486581821363696
Energy: 0.24137465956658014
Energy: 0.08486205968780645
Energy: 0.24137465956616233
Energy: 0.08485525515320014
Energy: 0.24138394127149926
Energy: 0.08454618229448788
Energy: 0.24138394127178853
Energy: 0.08454441566797069
Energy: 0.24138394127121002
Energy: 0.08454714034739655
Energy: 0.08365582971252906
Energy: 0.10648693943815492
Energy: 0.0836558297123844
Energy: 0.10648693943773707
Energy: 0.0836558297123844
Energy: 0.10648693943829955
Energy: 0.24137465956630696
Energy: 0.08487345160795516
Energy: 0.24137465956559984
Energy: 0.08486676853807465
Energy: 0.24137465956630696
Energy: 0.08486277052804492
Energy: 0.24138394127149926
Energy: 0.08455246983747021
Energy: 0.24138394127121002
Energy: 0.08454660626442531
Energy: 0.24138394127093676
Energy: 0.08454745273272472
Energy: 0.0836558297123844
Energy: 0.10648693943801026
Energy: 0.0836558297123844
Energy: 0.10648693943844419
Energy: 0.0836558297123844
Energy: 0.10648693943829955
Energy: 0.24137465956616233
Energy: 0.08474011431649656
Energy: 0.24137465956587303
Energy: 0.08485697506327165
Energy: 0.24137465956658014
Energy: 0.08484772816093189
Energy: 0.24138394127121002
Energy: 0.08455115016077337
Energy: 0.24138394127108143
Energy: 0.08454539738239125
Energy: 0.24138394127093676
Energy: 0.0845466507401608
Energy: 0.0836558297123844
Energy: 0.10648693943844419
Energy: 0.08365582971252906
Energy: 0.1064869394385888
Energy: 0.08365582971252906
Energy: 0.10648693943731923

minimum gb energy = 0.08365582971223977 eV
minimum distance =  2.82971863465209 Angstroms
sigma value = 3


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

Energy: 0.44884491505852014
Energy: 0.39059519055189157
Energy: 0.44884491505852014
Energy: 0.39059519055189157
Energy: 0.44884491505852014
Energy: 0.3905951905523148
Energy: 0.396906863720548
Energy: 0.4252326568373021
Energy: 0.396906863720548
Energy: 0.4252326568373021
Energy: 0.396906863720548
Energy: 0.4252326568373021
Energy: 0.41016910752735136
Energy: 0.42628152304486583
Energy: 0.41016910752735136
Energy: 0.42628152304486583
Energy: 0.4101691075277746
Energy: 0.42628152304486583
Energy: 0.4266867619899852
Energy: 0.40250042861895247
Energy: 0.4266867619899852
Energy: 0.40250042861895247
Energy: 0.42668676198956196
Energy: 0.40250042861895247
Energy: 0.38330819223106366
Energy: 0.42569489218341056
Energy: 0.3833081922314868
Energy: 0.42569489218341056
Energy: 0.38330819223106366
Energy: 0.4256948921838338
Energy: 0.4099395782750319
Energy: 0.4099588055594903
Energy: 0.40993957827545513
Energy: 0.4099588055594903
Energy: 0.40993957827545513
Energy: 0.40995880555991354
Energy: 0.4151515125969301
Energy: 0.42057019120544137
Energy: 0.4151515125969301
Energy: 0.42057019120544137
Energy: 0.41515151259650696
Energy: 0.42057019120544137
Energy: 0.3554801663289131
Energy: 0.42620877619244435
Energy: 0.3554801663280667
Energy: 0.42620877619244435
Energy: 0.3554801663289131
Energy: 0.4262087761928676
Energy: 0.41396080577113975
Energy: 0.4118456475300156
Energy: 0.41396080577113975
Energy: 0.4118456475300156
Energy: 0.41396080577113975
Energy: 0.4118456475300156
Energy: 0.4159368897944127
Energy: 0.3972033967852732
Energy: 0.4159368897944127
Energy: 0.3972033967852732
Energy: 0.4159368897944127
Energy: 0.39720339678569644
Energy: 0.36708232741601
Energy: 0.43230349785554256
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Energy: 0.43230349785554256
Energy: 0.36708232741643326
Energy: 0.43230349785554256
Energy: 0.41681213949587076
Energy: 0.42265830979099067
Energy: 0.416812139496294
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Energy: 0.41681213949587076
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Energy: 0.42615691967746777
Energy: 0.35337008715589846
Energy: 0.42615691967746777
Energy: 0.35337008715589846
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Energy: 0.35337008715589846
Energy: 0.40478397306572184
Energy: 0.4145206549313579
Energy: 0.40478397306614494
Energy: 0.4145206549313579
Energy: 0.40478397306572184
Energy: 0.41452065493093476
Energy: 0.41751768894809366
Energy: 0.41948642786634155
Energy: 0.4175176889485169
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Energy: 0.42496178179066135
Energy: 0.3517815599659497
Energy: 0.42496178179066135
Energy: 0.3517815599659497
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Energy: 0.40906818862464694
Energy: 0.421857564404968
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Energy: 0.4074273060665381
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Energy: 0.4245482574793866
Energy: 0.3908703279814059
Energy: 0.4245482574793866
Energy: 0.39087032798182914
Energy: 0.4245482574793866
Energy: 0.3908703279814059
Energy: 0.4231752322715878
Energy: 0.4402911781222725
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Energy: 0.4402911781222725
Energy: 0.42317523227201104
Energy: 0.4402911781222725
Energy: 0.41045636925357704
Energy: 0.39781536228664144
Energy: 0.41045636925400025
Energy: 0.39781536228664144
Energy: 0.41045636925357704
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Energy: 0.4280818868534196
Energy: 0.4001133246859048
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Energy: 0.4001133246859048
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Energy: 0.4001133246859048
Energy: 0.39709265739997096
Energy: 0.4413843705767415
Energy: 0.39709265739997096
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Energy: 0.3970926574003942
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Energy: 0.42179790954144475
Energy: 0.38842778578010484
Energy: 0.42179790954144475
Energy: 0.38842778578052806
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Energy: 0.4211980949699326
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Energy: 0.4211980949699326
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Energy: 0.38450360492938596
Energy: 0.41572323177853754
Energy: 0.38450360492938596
Energy: 0.4157232317789608
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Energy: 0.4440793896177538
Energy: 0.40142436268793463
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Energy: 0.40142436268793463
Energy: 0.4440793896177538
Energy: 0.4014243626883579
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Energy: 0.41533481038981634
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Energy: 0.4153348103893931
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Energy: 0.4153348103893931
Energy: 0.36928727227177804
Energy: 0.42576457996882483
Energy: 0.36928727227177804
Energy: 0.42576457996882483
Energy: 0.36928727227177804
Energy: 0.42576457996882483
Energy: 0.4128401496307835
Energy: 0.417552030845631
Energy: 0.4128401496303603
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Energy: 0.4128401496303603
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Energy: 0.41303638500880757
Energy: 0.4213026002142524
Energy: 0.41303638500923073
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Energy: 0.3946053888997584
Energy: 0.41917215070238617
Energy: 0.3946053888997584
Energy: 0.41917215070238617
Energy: 0.39460538890018165
Energy: 0.4191721507028094
Energy: 0.41098482165092914
Energy: 0.4249981054786648
Energy: 0.4109848216505059
Energy: 0.4249981054786648
Energy: 0.41098482165092914
Energy: 0.4249981054786648

minimum gb energy = 0.3517815599659497 eV
minimum distance =  2.65240992565916 Angstroms
sigma value = 67


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

Energy: 0.49863469616137746
Energy: 0.4614578604296283
Energy: 0.49863469616198053
Energy: 0.4614578604302313
Energy: 0.49863469616137746
Energy: 0.4614578604302313
Energy: 0.46054832037545723
Energy: 0.48630373098600443
Energy: 0.4605483203760603
Energy: 0.48630373098600443
Energy: 0.4605483203760603
Energy: 0.4863037309854015
Energy: 0.48101743228885097
Energy: 0.48619684832404714
Energy: 0.5084428877457492
Energy: 0.48619684832404714
Energy: 0.5084428877463522
Energy: 0.48619684832344406
Energy: 0.4892878972047541
Energy: 0.4549348178938784
Energy: 0.489287897203548
Energy: 0.4549348178938784
Energy: 0.489287897204151
Energy: 0.4549348178938784
Energy: 0.4479391855590792
Energy: 0.4875326735591341
Energy: 0.4479391855590792
Energy: 0.4875326735597371
Energy: 0.4479391855590792
Energy: 0.4875326735597371
Energy: 0.49399237452616135
Energy: 0.4865345809503373
Energy: 0.49399237452616135
Energy: 0.4865345809503373
Energy: 0.4939923745255583
Energy: 0.4865345809503373
Energy: 0.4809178980697553
Energy: 0.4849100297579553
Energy: 0.4809178980691523
Energy: 0.4849100297579553
Energy: 0.4809178980697553
Energy: 0.48491002975855835
Energy: 0.47082584338094347
Energy: 0.4873509972326896
Energy: 0.4708258433815464
Energy: 0.4873509972326896
Energy: 0.4708258433815464
Energy: 0.4873509972326896
Energy: 0.4947905604881791
Energy: 0.4911353441872313
Energy: 0.4947905604887821
Energy: 0.4911353441872313
Energy: 0.4947905604887821
Energy: 0.49113534418783433
Energy: 0.47711720564296695
Energy: 0.42178773557319377
Energy: 0.47711720564357
Energy: 0.42178773557379684
Energy: 0.47711720564296695
Energy: 0.42178773557379684
Energy: 0.5015947590784022
Energy: 0.48225386722580965
Energy: 0.5015947590784022
Energy: 0.4822538672252067
Energy: 0.5015947590790052
Energy: 0.48225386722580965
Energy: 0.4773004218486736
Energy: 0.4767317158632128
Energy: 0.4773004218486736
Energy: 0.4767317158632128
Energy: 0.4773004218486736
Energy: 0.4767317158632128
Energy: 0.47725193736367316
Energy: 0.48053902579311375
Energy: 0.4772519373630701
Energy: 0.48053902579311375
Energy: 0.4772519373630701
Energy: 0.48053902579311375
Energy: 0.48591888947761924
Energy: 0.4876745676813968
Energy: 0.48591888947761924
Energy: 0.4876745676813968
Energy: 0.48591888947761924
Energy: 0.4876745676813968
Energy: 0.4601976880635074
Energy: 0.4583126443743319
Energy: 0.4601976880641105
Energy: 0.4583126443743319
Energy: 0.4601976880641105
Energy: 0.4583126443743319
Energy: 0.4921073006246873
Energy: 0.47620056056534793
Energy: 0.4921073006246873
Energy: 0.47620056056534793
Energy: 0.4921073006246873
Energy: 0.47620056056534793
Energy: 0.4555683877376847
Energy: 0.4951454220237723
Energy: 0.45556838773708164
Energy: 0.4951454220237723
Energy: 0.45556838773708164
Energy: 0.4951454220243754
Energy: 0.47312927614417094
Energy: 0.4488260578144178
Energy: 0.4731292761435679
Energy: 0.4488260578144178
Energy: 0.4731292761435679
Energy: 0.44882605781381474
Energy: 0.4832680928265283
Energy: 0.49366322647696365
Energy: 0.4832680928259252
Energy: 0.49366322647696365
Energy: 0.4832680928265283
Energy: 0.4936632264775666
Energy: 0.49645286865849886
Energy: 0.49814034588655914
Energy: 0.49645286865849886
Energy: 0.49814034588655914
Energy: 0.4964528686578958
Energy: 0.49814034588655914
Energy: 0.5166836067844995
Energy: 0.45066302924096574
Energy: 0.5166836067857056
Energy: 0.45066302924096574
Energy: 0.5166836067851026
Energy: 0.4506630292415687
Energy: 0.49482336078747985
Energy: 0.5095647619307276
Energy: 0.49482336078808287
Energy: 0.5095647619307276
Energy: 0.49482336078747985
Energy: 0.5095647619301247
Energy: 0.42954814152134374
Energy: 0.4970664363008773
Energy: 0.42954814152074067
Energy: 0.49706643630148023
Energy: 0.42954814152134374
Energy: 0.4970664363008773

minimum gb energy = 0.42178773557319377 eV
minimum distance =  2.59131288898758 Angstroms
sigma value = 33


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

Energy: 0.5352430662310845
Energy: 0.48218721683220694
Energy: 0.5352430662310845
Energy: 0.48218721683220694
Energy: 0.5352430662303195
Energy: 0.48218721683220694
Energy: 0.49531492235329716
Energy: 0.5188630771238368
Energy: 0.49531492235329716
Energy: 0.5188630771242193
Energy: 0.4953149223529147
Energy: 0.5188630771242193
Energy: 0.5269161130721937
Energy: 0.5185168286669432
Energy: 0.526916113071811
Energy: 0.5185168286669432
Energy: 0.526916113072576
Energy: 0.5185168286669432
Energy: 0.5281211338874339
Energy: 0.4828999284429351
Energy: 0.5281211338874339
Energy: 0.48289992844331764
Energy: 0.5281211338874339
Energy: 0.48289992844255253
Energy: 0.49290777407412645
Energy: 0.5347678413221776
Energy: 0.49290777407412645
Energy: 0.534767841321795
Energy: 0.49290777407450903
Energy: 0.5347678413221776
Energy: 0.5559856652579064
Energy: 0.5289516409833028
Energy: 0.5559856652579064
Energy: 0.5289516409833028
Energy: 0.5559856652575238
Energy: 0.5341142048005177
Energy: 0.4886414616937898
Energy: 0.5121256409899928
Energy: 0.4886414616945548
Energy: 0.512125640991523
Energy: 0.48864146169531997
Energy: 0.512125640990758
Energy: 0.5167889926550469
Energy: 0.5238573999304468
Energy: 0.5167889926554294
Energy: 0.5238573999304468
Energy: 0.5167889926554294
Energy: 0.5238573999304468
Energy: 0.5135639363529105
Energy: 0.5331861014199041
Energy: 0.5135639363532929
Energy: 0.5331861014202867
Energy: 0.5135639363529105
Energy: 0.5331861014202867
Energy: 0.5522286725426286
Energy: 0.5176501543719899
Energy: 0.5522286725430113
Energy: 0.5097622017519212
Energy: 0.5522286725426286
Energy: 0.5337069777181609
Energy: 0.5271815500294136
Energy: 0.526179501098736
Energy: 0.5271815500294136
Energy: 0.526179501098736
Energy: 0.5271815500294136
Energy: 0.5261795010995011
Energy: 0.4931885797422234
Energy: 0.4973149578020731
Energy: 0.493188579742606
Energy: 0.4973149578016905
Energy: 0.493188579742606
Energy: 0.4973149578020731
Energy: 0.525993181271355
Energy: 0.5008954789209523
Energy: 0.525993181271355
Energy: 0.5008954789209523
Energy: 0.525993181271355
Energy: 0.5008954789209523
Energy: 0.5096865414187839
Energy: 0.5097000021938862
Energy: 0.5096865414184012
Energy: 0.5097000021938862
Energy: 0.5096865414187839
Energy: 0.5097000021942688
Energy: 0.5092828797442608
Energy: 0.49789850650246403
Energy: 0.5092828797438782
Energy: 0.49789850650246403
Energy: 0.5092828797442608
Energy: 0.49789850650208156
Energy: 0.5281540473804466
Energy: 0.5273313096392558
Energy: 0.5281540473800641
Energy: 0.5273313096396384
Energy: 0.5281540473804466
Energy: 0.5273313096396384
Energy: 0.4880122194080361
Energy: 0.5281485632769447
Energy: 0.4880122194080361
Energy: 0.5281485632769447
Energy: 0.4880122194080361
Energy: 0.5281485632769447
Energy: 0.5441118851401446
Energy: 0.5426562528951965
Energy: 0.5441118851401446
Energy: 0.5426562528951965
Energy: 0.544111885139762
Energy: 0.542656252895579
Energy: 0.48810657030014987
Energy: 0.5447164916011988
Energy: 0.48810657030014987
Energy: 0.5447164916015812
Energy: 0.48810657030014987
Energy: 0.5447164916015812
Energy: 0.5410522920540451
Energy: 0.5190367054532243
Energy: 0.5410522920536626
Energy: 0.5190367054528419
Energy: 0.5410522920536626
Energy: 0.5190367054528419
Energy: 0.5209664821976886
Energy: 0.5264092415800345
Energy: 0.5209664821976886
Energy: 0.5264092415800345
Energy: 0.5209664821976886
Energy: 0.5264092415800345
Energy: 0.5064430663936823
Energy: 0.4883333465148193
Energy: 0.5064430663933
Energy: 0.4883333465152019
Energy: 0.5064430663944476
Energy: 0.4883333465152019
Energy: 0.4847322732387071
Energy: 0.526321976410268
Energy: 0.48473227323908963
Energy: 0.526321976410268
Energy: 0.48473227323908963
Energy: 0.526321976410268
Energy: 0.5387233961183123
Energy: 0.4925447606684777
Energy: 0.5387233961183123
Energy: 0.49254476066809516
Energy: 0.5387233961179297
Energy: 0.49254476066809516
Energy: 0.5208471711624524
Energy: 0.49902978590187164
Energy: 0.520847171162835
Energy: 0.49902978590187164
Energy: 0.520847171162835
Energy: 0.49902978590187164
Energy: 0.48534525480869634
Energy: 0.5365953291295588
Energy: 0.48534525480869634
Energy: 0.5365953291295588
Energy: 0.4853452548090788
Energy: 0.5365953291299415
Energy: 0.48854549884753495
Energy: 0.48873409036369403
Energy: 0.4885454988479175
Energy: 0.48873409036369403
Energy: 0.48854549884753495
Energy: 0.48873409036407656
Energy: 0.541135308325678
Energy: 0.5463673491130288
Energy: 0.541135308325678
Energy: 0.5463673491126464
Energy: 0.5411353083260605
Energy: 0.5463673491126464
Energy: 0.5426078022170528
Energy: 0.5347368057586595
Energy: 0.5426078022170528
Energy: 0.5347368057582769
Energy: 0.5426078022170528
Energy: 0.5347368057582769
Energy: 0.4886917395175113
Energy: 0.5116717495126675
Energy: 0.4886917395167462
Energy: 0.5116717495126675
Energy: 0.4886917395175113
Energy: 0.5116717495126675
Energy: 0.5559753884887493
Energy: 0.543397017112727
Energy: 0.5559753884883667
Energy: 0.5433970171123444
Energy: 0.5559753884883667
Energy: 0.5433970171123444
Energy: 0.49430246971118125
Energy: 0.519117121925873
Energy: 0.49430246971118125
Energy: 0.5191171219254905
Energy: 0.4943024697107987
Energy: 0.5191171219262557
Energy: 0.5248945499271962
Energy: 0.5303297848533559
Energy: 0.5248945499271962
Energy: 0.5303297848533559
Energy: 0.5248945499268136
Energy: 0.5303297848533559
Energy: 0.5064321397523502
Energy: 0.5186097748603864
Energy: 0.5064321397519677
Energy: 0.5186097748603864
Energy: 0.5064321397523502
Energy: 0.5186097748603864
Energy: 0.49232439236657505
Energy: 0.518503612739627
Energy: 0.49232439236695763
Energy: 0.5185036127400096
Energy: 0.49232439236695763
Energy: 0.5185036127400096
Energy: 0.5419463081761381
Energy: 0.5023015706583425
Energy: 0.5419463081765207
Energy: 0.5023015706583425
Energy: 0.5419463081761381
Energy: 0.5023015706583425
Energy: 0.4923607457861055
Energy: 0.4975186725624933
Energy: 0.49236074578648803
Energy: 0.4975186725628759
Energy: 0.4923607457861055
Energy: 0.4975186725628759

minimum gb energy = 0.48218721683220694 eV
minimum distance =  2.63958404304616 Angstroms
sigma value = 41


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

Energy: 0.5798886098071369
Energy: 0.5394960724594265
Energy: 0.5798886098060924
Energy: 0.5394960724594265
Energy: 0.5798886098060924
Energy: 0.5394960724594265
Energy: 0.542499411760682
Energy: 0.5663562516749209
Energy: 0.542499411760682
Energy: 0.5663562516749209
Energy: 0.5424994117617264
Energy: 0.5663562516749209
Energy: 0.6134693668102377
Energy: 0.5663229964299535
Energy: 0.6162910740206319
Energy: 0.5663229964299535
Energy: 0.5979926378741506
Energy: 0.5663229964299535
Energy: 0.5867362375963796
Energy: 0.6033838943763633
Energy: 0.5867362375963796
Energy: 0.6033838943763633
Energy: 0.5867362375963796
Energy: 0.6033838943763633
Energy: 0.5947162822691852
Energy: 0.5720626617520836
Energy: 0.5947162822691852
Energy: 0.5720626617520836
Energy: 0.5947162822691852
Energy: 0.5720626617520836
Energy: 0.5957353350907104
Energy: 0.5803482985316926
Energy: 0.5957353350907104
Energy: 0.5803482985316926
Energy: 0.5957353350907104
Energy: 0.5803482985316926
Energy: 0.5795160223070297
Energy: 0.5406520411716383
Energy: 0.5795160223059853
Energy: 0.5406520411716383
Energy: 0.5795160223059853
Energy: 0.5406520411716383
Energy: 0.5624412544724996
Energy: 0.5649562856054566
Energy: 0.5624412544724996
Energy: 0.5649562856033676
Energy: 0.562441254473544
Energy: 0.5649562856044121
Energy: 0.5437542693929078
Energy: 0.5372514086994762
Energy: 0.5437542693929078
Energy: 0.5372514086994762
Energy: 0.5437542693929078
Energy: 0.5372514086994762
Energy: 0.5808303509961442
Energy: 0.5510047351918037
Energy: 0.5808303509961442
Energy: 0.5510047351918037
Energy: 0.5808303509961442
Energy: 0.5510047351918037
Energy: 0.5442478702045018
Energy: 0.5663805815271699
Energy: 0.5442478702045018
Energy: 0.5663805815271699
Energy: 0.5442478702045018
Energy: 0.5663805815271699
Energy: 0.5672285970338957
Energy: 0.5661140319713251
Energy: 0.5672285970338957
Energy: 0.5661140319713251
Energy: 0.5672285970338957
Energy: 0.5661140319713251
Energy: 0.5910345892283126
Energy: 0.5613367795137197
Energy: 0.591034589227268
Energy: 0.5613367795137197
Energy: 0.591034589227268
Energy: 0.5613367795137197
Energy: 0.5974307080300539
Energy: 0.5735994583585815
Energy: 0.5974307080300539
Energy: 0.573599458359626
Energy: 0.5974307080300539
Energy: 0.5735994583585815

minimum gb energy = 0.5372514086994762 eV
minimum distance =  2.50885775671509 Angstroms
sigma value = 11


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

Energy: 0.5967613898469611
Energy: 0.561579807636926
Energy: 0.5967613898469611
Energy: 0.5615798076355495
Energy: 0.5967613898465023
Energy: 0.5615798076364673
Energy: 0.5539331276991171
Energy: 0.5832356138694995
Energy: 0.5539331276991171
Energy: 0.5832356138690405
Energy: 0.5539331276991171
Energy: 0.5832356138690405
Energy: 0.6096164642670073
Energy: 0.576155635283884
Energy: 0.6096164642665484
Energy: 0.5761556352852605
Energy: 0.6165706009480355
Energy: 0.5761556352843429
Energy: 0.5853661037240496
Energy: 0.564710697613683
Energy: 0.5853661037240496
Energy: 0.564710697613683
Energy: 0.5853661037245086
Energy: 0.564710697613224
Energy: 0.6060590802746941
Energy: 0.5820188765123344
Energy: 0.606059080275153
Energy: 0.5820188765118756
Energy: 0.606059080275153
Energy: 0.5820188765118756
Energy: 0.5917652792310794
Energy: 0.6020496052084595
Energy: 0.5917652792310794
Energy: 0.6020496052080008
Energy: 0.5917652792310794
Energy: 0.6020496052084595
Energy: 0.5827027229932231
Energy: 0.5700346820326363
Energy: 0.5827027229932231
Energy: 0.5700346820326363
Energy: 0.5827027229932231
Energy: 0.5700346820326363
Energy: 0.5659987957883604
Energy: 0.5837213661946073
Energy: 0.5659987957879018
Energy: 0.5837213661946073
Energy: 0.5659987957883604
Energy: 0.5837213661946073
Energy: 0.5723351617695721
Energy: 0.5964458164099384
Energy: 0.5723351617700309
Energy: 0.5964458164094796
Energy: 0.5723351617695721
Energy: 0.5964458164094796
Energy: 0.5793835792066249
Energy: 0.5775893246329181
Energy: 0.5793835792066249
Energy: 0.5775893246365889
Energy: 0.579383579206166
Energy: 0.577589324638883
Energy: 0.5652524242839949
Energy: 0.5854039732023952
Energy: 0.5652524242844538
Energy: 0.5854039732023952
Energy: 0.5652524242844538
Energy: 0.5854039732023952
Energy: 0.5963607386112018
Energy: 0.603058990466207
Energy: 0.5963607386107429
Energy: 0.6030589904657482
Energy: 0.5963607386112018
Energy: 0.6030589904657482
Energy: 0.5756284399219709
Energy: 0.5676730093596206
Energy: 0.5756284399205944
Energy: 0.5676730093600795
Energy: 0.5756284399219709
Energy: 0.5676730093600795
Energy: 0.6020112163045587
Energy: 0.5806157034729961
Energy: 0.6020112163045587
Energy: 0.5806157034739137
Energy: 0.6020112163045587
Energy: 0.5806157034734549
Energy: 0.5652120098060354
Energy: 0.574488864641456
Energy: 0.5652120098060354
Energy: 0.574488864641915
Energy: 0.5652120098060354
Energy: 0.574488864641456
Energy: 0.5813629797054866
Energy: 0.6123770773033842
Energy: 0.5813629797054866
Energy: 0.6123770773033842
Energy: 0.5813629797059454
Energy: 0.6123770773033842
Energy: 0.5565115329860839
Energy: 0.5831398511337582
Energy: 0.5565115329856251
Energy: 0.5831398511337582
Energy: 0.5565115329860839
Energy: 0.5831398511332992
Energy: 0.5831613467783939
Energy: 0.5862737325108783
Energy: 0.5831613467783939
Energy: 0.5862737325108783
Energy: 0.5831613467788528
Energy: 0.5862737325108783
Energy: 0.5839153011296634
Energy: 0.5527112485478666
Energy: 0.5839153011301222
Energy: 0.5527112485478666
Energy: 0.5839153011292046
Energy: 0.5527112485478666
Energy: 0.6013368766187873
Energy: 0.5794370908283273
Energy: 0.6013368766187873
Energy: 0.5794370908283273
Energy: 0.6013368766187873
Energy: 0.5794370908283273
Energy: 0.56086812734962
Energy: 0.5653499032917226
Energy: 0.5608681273500788
Energy: 0.5653499032917226
Energy: 0.56086812734962
Energy: 0.5653499032917226
Energy: 0.5957263230281395
Energy: 0.589576390325602
Energy: 0.5957263230281395
Energy: 0.5895763903260608
Energy: 0.5957263230281395
Energy: 0.589576390325602
Energy: 0.5581277618355779
Energy: 0.5722914783114015
Energy: 0.5581277618355779
Energy: 0.5722914783114015
Energy: 0.5581277618355779
Energy: 0.5722914783114015
Energy: 0.5839009675905258
Energy: 0.5831092515982798
Energy: 0.5839009675914436
Energy: 0.5831092515982798
Energy: 0.5839009675914436
Energy: 0.5831092515982798
Energy: 0.5861937190249751
Energy: 0.5797081601132476
Energy: 0.5861937190245163
Energy: 0.5797081601127887
Energy: 0.5861937190245163
Energy: 0.5797081601132476
Energy: 0.5541592967936751
Energy: 0.5785612129925963
Energy: 0.5541592967936751
Energy: 0.5785612129925963
Energy: 0.5541592967936751
Energy: 0.5785612129921375
Energy: 0.589901887761525
Energy: 0.5933200811449421
Energy: 0.5899018877619838
Energy: 0.5933200811444832
Energy: 0.589901887761525
Energy: 0.5933200811444832
Energy: 0.5798648912695592
Energy: 0.5569188817345707
Energy: 0.5798648912691003
Energy: 0.5569188817345707
Energy: 0.5798648912691003
Energy: 0.5569188817345707
Energy: 0.5761764241914004
Energy: 0.5878245070187321
Energy: 0.5761764241914004
Energy: 0.5878245070182734
Energy: 0.5761764241909415
Energy: 0.5878245070178144
Energy: 0.5656418250385631
Energy: 0.5531813373013263
Energy: 0.5656418250385631
Energy: 0.5531813373017851
Energy: 0.5656418250385631
Energy: 0.5531813373013263
Energy: 0.579428438227949
Energy: 0.604138421314605
Energy: 0.5794284382284078
Energy: 0.6041384213150639
Energy: 0.5794284382284078
Energy: 0.604138421314605

minimum gb energy = 0.5527112485478666 eV
minimum distance =  2.51198911556836 Angstroms
sigma value = 57


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

Energy: 0.5185950239513661
Energy: 0.5075450032683392
Energy: 0.5185950239513661
Energy: 0.5075450032683392
Energy: 0.5185950239513661
Energy: 0.5075450032683392
Energy: 0.5880887351507698
Energy: 0.532919645570831
Energy: 0.5880887351507698
Energy: 0.5329196455716475
Energy: 0.5880887351499533
Energy: 0.532919645570831
Energy: 0.5463229795248407
Energy: 0.5331345732220653
Energy: 0.5463229795248407
Energy: 0.5331345732220653
Energy: 0.5463229795248407
Energy: 0.5331345732220653
Energy: 0.5129980156485455
Energy: 0.5795722528879116
Energy: 0.5129980156477291
Energy: 0.6088307821077883
Energy: 0.5129980156477291
Energy: 0.527135295912109
Energy: 0.5461667876700764
Energy: 0.5331398820722548
Energy: 0.5461667876700764
Energy: 0.5331398820722548
Energy: 0.5461667876700764
Energy: 0.5331398820722548
Energy: 0.5880822812106554
Energy: 0.5329054862070436
Energy: 0.5880822812114719
Energy: 0.5786981489218794
Energy: 0.5880822812106554
Energy: 0.5654652636074036
Energy: 0.5185950239505497
Energy: 0.507545003266706
Energy: 0.5185950239505497
Energy: 0.507545003266706
Energy: 0.5185950239513661
Energy: 0.5075450032675226
Energy: 0.5880887351499533
Energy: 0.5329196455716475
Energy: 0.5880887351499533
Energy: 0.5329196455716475
Energy: 0.5880887351507698
Energy: 0.532919645570831
Energy: 0.5463229795248407
Energy: 0.5331345732212488
Energy: 0.5463229795240241
Energy: 0.5331345732212488
Energy: 0.5463229795248407
Energy: 0.5331345732212488
Energy: 0.5129980156485455
Energy: 0.5443493471568878
Energy: 0.5129980156477291
Energy: 0.5443493471577042
Energy: 0.5129980156485455
Energy: 0.5443493471568878
Energy: 0.5461667876700764
Energy: 0.5331398820730713
Energy: 0.5461667876692599
Energy: 0.5331398820730713
Energy: 0.5461667876700764
Energy: 0.5331398820730713
Energy: 0.5880822812106554
Energy: 0.5329054862070436
Energy: 0.5880822812106554
Energy: 0.532905486206227
Energy: 0.5880822812106554
Energy: 0.5329054862070436
Energy: 0.5185950239505497
Energy: 0.5075450032683392
Energy: 0.5185950239505497
Energy: 0.5075450032683392
Energy: 0.5185950239505497
Energy: 0.5075450032683392
Energy: 0.5880887351499533
Energy: 0.532919645570831
Energy: 0.5880887351507698
Energy: 0.532919645570831
Energy: 0.5880887351507698
Energy: 0.5329196455716475
Energy: 0.5463229795248407
Energy: 0.5331345732220653
Energy: 0.5463229795248407
Energy: 0.5331345732220653
Energy: 0.5463229795248407
Energy: 0.5331345732220653
Energy: 0.5129980156477291
Energy: 0.5443493471577042
Energy: 0.5129980156477291
Energy: 0.5443493471577042
Energy: 0.5129980156485455
Energy: 0.5443493471577042
Energy: 0.5461667876700764
Energy: 0.5331398820730713
Energy: 0.5461667876700764
Energy: 0.5331398820730713
Energy: 0.5461667876700764
Energy: 0.5331398820722548

minimum gb energy = 0.507545003266706 eV
minimum distance =  2.58745761721464 Angstroms
sigma value = 9


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

Energy: 0.5832019869226603
Energy: 0.5488331894136471
Energy: 0.5832019869226603
Energy: 0.5488331894136471
Energy: 0.5832019869219937
Energy: 0.5488331894136471
Energy: 0.5697227174949643
Energy: 0.5712858536701433
Energy: 0.5697227174949643
Energy: 0.57128585367081
Energy: 0.5697227174949643
Energy: 0.5712858536701433
Energy: 0.5866634776934715
Energy: 0.564294470687345
Energy: 0.5922029110778725
Energy: 0.5642944706860116
Energy: 0.5956545609586947
Energy: 0.5642944706866782
Energy: 0.563123094948481
Energy: 0.597196384491839
Energy: 0.5631230949478143
Energy: 0.597196384491839
Energy: 0.563123094948481
Energy: 0.597196384491839
Energy: 0.5616748125799431
Energy: 0.570333443011122
Energy: 0.5616748125799431
Energy: 0.5703334430104553
Energy: 0.5616748125799431
Energy: 0.570333443011122
Energy: 0.5650957577204063
Energy: 0.5717229211286252
Energy: 0.5650957577197397
Energy: 0.5717229211286252
Energy: 0.5650957577204063
Energy: 0.5717229211292919
Energy: 0.5626220803122721
Energy: 0.5852084266625642
Energy: 0.5626220803129387
Energy: 0.5852084266612309
Energy: 0.5626220803122721
Energy: 0.5852084266612309
Energy: 0.5610062586179442
Energy: 0.5818897246174024
Energy: 0.5610062586192776
Energy: 0.5818897246180692
Energy: 0.5610062586192776
Energy: 0.5818897246180692
Energy: 0.6294552103336929
Energy: 0.5813564170959303
Energy: 0.6294552103343596
Energy: 0.5813564170979305
Energy: 0.6294552103336929
Energy: 0.5813564170959303
Energy: 0.5634008362954256
Energy: 0.5726586729399467
Energy: 0.5634008362940922
Energy: 0.5726586729399467
Energy: 0.5634008362954256
Energy: 0.5726586729399467
Energy: 0.5519320778170044
Energy: 0.5718677481651369
Energy: 0.5519320778163377
Energy: 0.5718677481644703
Energy: 0.5519320778170044
Energy: 0.5718677481651369
Energy: 0.5928038779749352
Energy: 0.5778137862082702
Energy: 0.5928038779749352
Energy: 0.5778137862082702
Energy: 0.5928038779742686
Energy: 0.5778137862076035
Energy: 0.5703744437909871
Energy: 0.5992144082223115
Energy: 0.5703744437903205
Energy: 0.5992144082223115
Energy: 0.5703744437909871
Energy: 0.5992144082229782
Energy: 0.5636485705535097
Energy: 0.5686966104556553
Energy: 0.5636485705535097
Energy: 0.5686966104556553
Energy: 0.5636485705541765
Energy: 0.568696610454322
Energy: 0.5919943614192263
Energy: 0.5695716087421959
Energy: 0.5919943614192263
Energy: 0.5695716087421959
Energy: 0.5919943614192263
Energy: 0.5695716087421959
Energy: 0.5856926421337678
Energy: 0.5660165966404378
Energy: 0.5856926421337678
Energy: 0.5660165966404378
Energy: 0.5856926421337678
Energy: 0.5660165966391043
Energy: 0.5781552048179454
Energy: 0.5668147840813501
Energy: 0.578155204818612
Energy: 0.5668147840813501
Energy: 0.5781552048199454
Energy: 0.5668147840813501
Energy: 0.613838866498395
Energy: 0.5755782332885274
Energy: 0.6138388664977283
Energy: 0.5755782332885274
Energy: 0.6138388664977283
Energy: 0.5755782332885274
Energy: 0.5580550005197967
Energy: 0.5716166507850632
Energy: 0.55805500051913
Energy: 0.5716166507850632
Energy: 0.55805500051913
Energy: 0.5716166507857299
Energy: 0.5632022306486097
Energy: 0.5498646213816362
Energy: 0.5632022306492765
Energy: 0.5498646213809695
Energy: 0.5632022306492765
Energy: 0.5498646213816362
Energy: 0.5910095716912924
Energy: 0.5762952509839973
Energy: 0.5910095716906258
Energy: 0.5762952509839973
Energy: 0.5910095716906258
Energy: 0.5762952509839973

minimum gb energy = 0.5488331894136471 eV
minimum distance =  2.58473779999175 Angstroms
sigma value = 27


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

Energy: 0.5826238342446048
Energy: 0.5751452972857547
Energy: 0.5658941045600742
Energy: 0.5751452972857547
Energy: 0.5826238342446048
Energy: 0.5751452972857547
Energy: 0.5691789943746765
Energy: 0.5628455640318223
Energy: 0.5691789943752383
Energy: 0.5628455640318223
Energy: 0.5691789943741145
Energy: 0.5628455640329462
Energy: 0.5648844682225871
Energy: 0.5682738549844908
Energy: 0.5648844682231491
Energy: 0.5682738549839288
Energy: 0.5648844682231491
Energy: 0.5682738549839288
Energy: 0.5660527263211622
Energy: 0.614635706462319
Energy: 0.5660527263228226
Energy: 0.614635706461757
Energy: 0.5660527263217242
Energy: 0.614635706461757
Energy: 0.5593342157795673
Energy: 0.5464949104277695
Energy: 0.5593342157795673
Energy: 0.5464949104272077
Energy: 0.5593342157795673
Energy: 0.5464949104272077
Energy: 0.5770681333835214
Energy: 0.568648744599546
Energy: 0.5770681333835214
Energy: 0.568648744599546
Energy: 0.5770681333835214
Energy: 0.568648744599546
Energy: 0.5663804196132867
Energy: 0.5674199799981998
Energy: 0.5663804196127247
Energy: 0.5674199799981998
Energy: 0.5663804196132867
Energy: 0.5674199799970759
Energy: 0.6153164155462364
Energy: 0.5799806287696718
Energy: 0.6153164155462364
Energy: 0.5799806287696718
Energy: 0.6153164155462364
Energy: 0.5799806287691098
Energy: 0.5449152623362097
Energy: 0.568203378612882
Energy: 0.5449152623367716
Energy: 0.568203378612882
Energy: 0.5449152623367716
Energy: 0.568203378612882
Energy: 0.5659853983012968
Energy: 0.5431987599545393
Energy: 0.5659853983007349
Energy: 0.5431987599545393
Energy: 0.5659853983012968
Energy: 0.5431987599545393
Energy: 0.5659382980500293
Energy: 0.5692199141222203
Energy: 0.5659382980500293
Energy: 0.5692199141222203
Energy: 0.5659382980505913
Energy: 0.5692199141227822
Energy: 0.5687067541690911
Energy: 0.5683505796662842
Energy: 0.5687067541696531
Energy: 0.5683505796668463
Energy: 0.5687067541696531
Energy: 0.5683505796662842
Energy: 0.5821925220433121
Energy: 0.61836397167817
Energy: 0.58219252204275
Energy: 0.61836397167817
Energy: 0.58219252204275
Energy: 0.618363971677608
Energy: 0.5659608603930893
Energy: 0.5432944898775807
Energy: 0.5659608603930893
Energy: 0.5432944898787047
Energy: 0.5659608603930893
Energy: 0.5432944898775807
Energy: 0.5927298618908071
Energy: 0.5681137093032318
Energy: 0.5927298618908071
Energy: 0.5681137093032318
Energy: 0.5927298618908071
Energy: 0.5681137093032318
Energy: 0.5762000721550316
Energy: 0.5464724861115559
Energy: 0.5762000721555934
Energy: 0.5464724861115559
Energy: 0.5762000721550316
Energy: 0.546472486110432
Energy: 0.5773666207099678
Energy: 0.564074896329806
Energy: 0.5773666207094058
Energy: 0.564074896330368
Energy: 0.5773666207094058
Energy: 0.564074896330368
Energy: 0.6159298375550678
Energy: 0.5597009919206236
Energy: 0.6159298375539438
Energy: 0.5597009919206236
Energy: 0.6159298375550678
Energy: 0.5597009919200617
Energy: 0.5583935076187675
Energy: 0.5597803678798884
Energy: 0.5428016781788038
Energy: 0.5597803678793264
Energy: 0.5583935076182055
Energy: 0.5597803678804503
Energy: 0.5826238342446048
Energy: 0.5751452972857547
Energy: 0.5658941045617601
Energy: 0.5751452972857547
Energy: 0.5826238342446048
Energy: 0.5751452972857547
Energy: 0.5691789943741145
Energy: 0.5628455640323842
Energy: 0.5691789943746765
Energy: 0.5628455640323842
Energy: 0.5691789943741145
Energy: 0.5628455640329462
Energy: 0.5648844682231491
Energy: 0.5682738549839288
Energy: 0.5648844682225871
Energy: 0.5682738549839288
Energy: 0.5648844682225871
Energy: 0.5682738549839288
Energy: 0.5660527263211622
Energy: 0.614635706461757
Energy: 0.5660527263228226
Energy: 0.614635706462319
Energy: 0.5660527263217242
Energy: 0.614635706462881
Energy: 0.5593342157801293
Energy: 0.5464949104266457
Energy: 0.5593342157801293
Energy: 0.5464949104266457
Energy: 0.5593342157801293
Energy: 0.5464949104260838
Energy: 0.5770681333840834
Energy: 0.568648744598984
Energy: 0.5770681333835214
Energy: 0.568648744598984
Energy: 0.5770681333840834
Energy: 0.568648744599546

minimum gb energy = 0.5428016781788038 eV
minimum distance =  2.6117946466025 Angstroms
sigma value = 19


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

Energy: 0.5655617162528916
Energy: 0.5840420199245461
Energy: 0.5655617162528916
Energy: 0.5840420199245461
Energy: 0.5655617162528916
Energy: 0.5840420199245461
Energy: 0.5818791395957801
Energy: 0.5653052477353564
Energy: 0.5818791395957801
Energy: 0.5653052477343862
Energy: 0.5818791395957801
Energy: 0.5653052477343862
Energy: 0.5763118619800104
Energy: 0.541347317643259
Energy: 0.5763118619795253
Energy: 0.5413473176456844
Energy: 0.5763118619795253
Energy: 0.5413473176510203
Energy: 0.5417773429752623
Energy: 0.5849213398972617
Energy: 0.5417773429757473
Energy: 0.5849213398972617
Energy: 0.5417773429752623
Energy: 0.5849213398972617
Energy: 0.5763146453044496
Energy: 0.5867575634082982
Energy: 0.5763146453039647
Energy: 0.5867575634078132
Energy: 0.5763146453044496
Energy: 0.5867575634082982
Energy: 0.5921195585413529
Energy: 0.5481494884810727
Energy: 0.592119558541838
Energy: 0.5481494884815578
Energy: 0.5921195585413529
Energy: 0.5481494884810727
Energy: 0.532109241830386
Energy: 0.5801915135986438
Energy: 0.5321092418328114
Energy: 0.580191513599614
Energy: 0.5321092418313562
Energy: 0.5801915135981588
Energy: 0.5530399651149687
Energy: 0.5806179555943504
Energy: 0.5530399650824905
Energy: 0.5806179555943504
Energy: 0.5530399650805502
Energy: 0.5806179555938652
Energy: 0.6043791992906827
Energy: 0.5346310197485403
Energy: 0.6043791992901976
Energy: 0.5346310197485403
Energy: 0.6043791992906827
Energy: 0.5346310197495104
Energy: 0.5734573521140838
Energy: 0.5767578825778117
Energy: 0.5734573521135986
Energy: 0.5767578825778117
Energy: 0.5734573521145688
Energy: 0.5767578825787818
Energy: 0.5405949522078821
Energy: 0.5811331817571771
Energy: 0.5405949522073971
Energy: 0.5811331817571771
Energy: 0.5405949522083672
Energy: 0.5811331817571771
Energy: 0.5908542702323968
Energy: 0.5428347245638896
Energy: 0.5908542702323968
Energy: 0.5428347245643745
Energy: 0.5908542702323968
Energy: 0.542834724566315
Energy: 0.5782942897132449
Energy: 0.5640622824536966
Energy: 0.5782942897132449
Energy: 0.5640622824536966
Energy: 0.5782942897132449
Energy: 0.5640622824541817
Energy: 0.5468690895209791
Energy: 0.585585443661945
Energy: 0.546869089520494
Energy: 0.585585443661945
Energy: 0.5468690895224343
Energy: 0.585585443661945
Energy: 0.5844499494799685
Energy: 0.5451332743194127
Energy: 0.5844499494794835
Energy: 0.5451334960473336
Energy: 0.5844499494794835
Energy: 0.5451332163322044
Energy: 0.5735285011814985
Energy: 0.5346587613269682
Energy: 0.5735285011819834
Energy: 0.5346587613274533
Energy: 0.5735285011814985
Energy: 0.5346587613240578
Energy: 0.5465074227684225
Energy: 0.58504010971544
Energy: 0.5465074227693927
Energy: 0.58504010971544
Energy: 0.5465074227693927
Energy: 0.58504010971544
Energy: 0.5784375846739568
Energy: 0.5770031139473131
Energy: 0.5784375846744418
Energy: 0.5770031150489042
Energy: 0.5784375846749269
Energy: 0.5770031142183396
Energy: 0.5876033810733198
Energy: 0.5473950821407593
Energy: 0.5876033810733198
Energy: 0.5473950821422146
Energy: 0.5876033810733198
Energy: 0.5473950821422146
Energy: 0.554477474045868
Energy: 0.5837266701888365
Energy: 0.554477474045868
Energy: 0.5837266701888365
Energy: 0.554477474045868
Energy: 0.5837266701888365
Energy: 0.5422494435743374
Energy: 0.580607220861508
Energy: 0.5422481662170044
Energy: 0.5806072208624781
Energy: 0.5422537349102243
Energy: 0.5806072208624781
Energy: 0.6048863344640144
Energy: 0.5413693863134333
Energy: 0.6048863344644996
Energy: 0.5413693863139185
Energy: 0.6048863344640144
Energy: 0.5413693863139185
Energy: 0.5911861239379401
Energy: 0.5730594086268357
Energy: 0.5911861239379401
Energy: 0.5730594086268357
Energy: 0.5911861239374551
Energy: 0.5730594086268357
Energy: 0.5619034507237947
Energy: 0.5805652378935826
Energy: 0.5619034507257349
Energy: 0.5805652378940677
Energy: 0.5619034507242797
Energy: 0.5805652378940677
Energy: 0.5769931064115271
Energy: 0.5413511305031069
Energy: 0.5769931064115271
Energy: 0.5413511304904948
Energy: 0.5769931064115271
Energy: 0.5413511304948605
Energy: 0.5795474745246296
Energy: 0.5487047571999148
Energy: 0.5795474745241447
Energy: 0.5487047571795417
Energy: 0.5795474745246296
Energy: 0.5487047571974896
Energy: 0.5353611781395925
Energy: 0.5844489115660639
Energy: 0.5353611781400776
Energy: 0.5844489115660639
Energy: 0.5353611781386225
Energy: 0.5844489115660639
Energy: 0.5809857220373115
Energy: 0.557970175669592
Energy: 0.5809857220368263
Energy: 0.5579701756686217
Energy: 0.5809857220368263
Energy: 0.5579701756710251
Energy: 0.5778208957234715
Energy: 0.5476712818596872
Energy: 0.5778208957234715
Energy: 0.5476712818601722
Energy: 0.5778208957234715
Energy: 0.5476712818592021

minimum gb energy = 0.532109241830386 eV
minimum distance =  2.58317429433769 Angstroms
sigma value = 101


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

Energy: 0.5277065128883481
Energy: 0.5844421545714955
Energy: 0.5277065128887745
Energy: 0.5844421545714955
Energy: 0.5277065128883481
Energy: 0.5844421545714955
Energy: 0.560520141420047
Energy: 0.5439756480590778
Energy: 0.5605201087589157
Energy: 0.5406229156977022
Energy: 0.5605201111943438
Energy: 0.5321423188856762
Energy: 0.5828312855070581
Energy: 0.5149366391984395
Energy: 0.5828312855070581
Energy: 0.5149366391660518
Energy: 0.5828312855066317
Energy: 0.5149366391715952
Energy: 0.5000536512508755
Energy: 0.5632576317138758
Energy: 0.5000536512491699
Energy: 0.5918627780186737
Energy: 0.5000536512504491
Energy: 0.5834297108153365
Energy: 0.5385277302982677
Energy: 0.5483066364500512
Energy: 0.5385277302991205
Energy: 0.5483066364500512
Energy: 0.5385277302978413
Energy: 0.5483066364504775
Energy: 0.5855822160497098
Energy: 0.5096389324008138
Energy: 0.5855822160497098
Energy: 0.5096389324003874
Energy: 0.5855822160497098
Energy: 0.5096389324008138
Energy: 0.5337390178430456
Energy: 0.5537798456210169
Energy: 0.5337390178387814
Energy: 0.5537798456346619
Energy: 0.5337390178409136
Energy: 0.5537798456210169
Energy: 0.5002167003038098
Energy: 0.5542071226235958
Energy: 0.5002167003042363
Energy: 0.581796180378003
Energy: 0.5002167003038098
Energy: 0.5679328496530719
Energy: 0.5840308402853377
Energy: 0.5103902740997521
Energy: 0.5840308402853377
Energy: 0.5103902741006049
Energy: 0.5840308402853377
Energy: 0.5103902741001785
Energy: 0.5336677607967961
Energy: 0.5625137184079181
Energy: 0.5336677607967961
Energy: 0.5526980757724812
Energy: 0.5336677607967961
Energy: 0.5647173930930476
Energy: 0.49891924135789595
Energy: 0.6210639566867407
Energy: 0.49891924135704313
Energy: 0.6210639566867407
Energy: 0.49891924135789595
Energy: 0.6210639566871672
Energy: 0.5688234760197881
Energy: 0.5238702317951988
Energy: 0.568823476020641
Energy: 0.5238702317956252
Energy: 0.5688234760210674
Energy: 0.5238702317947724
Energy: 0.5715291369712479
Energy: 0.5151848290649771
Energy: 0.5715291369716743
Energy: 0.5151848289013141
Energy: 0.5715291369716743
Energy: 0.5151848289946586
Energy: 0.5303961139163067
Energy: 0.5644298539683869
Energy: 0.5303961139167331
Energy: 0.5761024938797467
Energy: 0.5303961139163067
Energy: 0.5724274985026669
Energy: 0.5612317650421157
Energy: 0.5481409979182548
Energy: 0.5612317650412629
Energy: 0.5481409979182548
Energy: 0.5612317650416894
Energy: 0.5481409979182548
Energy: 0.5844570214524871
Energy: 0.5163052338291687
Energy: 0.5844570214524871
Energy: 0.5163052338295757
Energy: 0.5844570214529134
Energy: 0.516305233828316
Energy: 0.49945167638303783
Energy: 0.5615555143425779
Energy: 0.49945167638389065
Energy: 0.5615555143421513
Energy: 0.4994516763834642
Energy: 0.5615555143421513
Energy: 0.49702590474060293
Energy: 0.5797779104793658
Energy: 0.4970259047401765
Energy: 0.5797779104793658
Energy: 0.49702590474102937
Energy: 0.5797779104793658
Energy: 0.5841558244900061
Energy: 0.5105176488602865
Energy: 0.5841558244904325
Energy: 0.5105176488590073
Energy: 0.5841558244900061
Energy: 0.5105176488602865
Energy: 0.5336377182685492
Energy: 0.5580196966427732
Energy: 0.5336377182676963
Energy: 0.5580196966436259
Energy: 0.5336377182681228
Energy: 0.5580196966427732
Energy: 0.5059008200317773
Energy: 0.6099959996409445
Energy: 0.5059008200317773
Energy: 0.6099959996409445
Energy: 0.5059008200313508
Energy: 0.6099959996409445
Energy: 0.5750790132060598
Energy: 0.5098060203345863
Energy: 0.5750790132056335
Energy: 0.5098060203358656
Energy: 0.5750790132064862
Energy: 0.5098060203350129
Energy: 0.5746003315163952
Energy: 0.5072152297255884
Energy: 0.5746003315172287
Energy: 0.5072152288441647
Energy: 0.5746003315168022
Energy: 0.5072152292673939
Energy: 0.5000329253526664
Energy: 0.5872388763030525
Energy: 0.50003292535224
Energy: 0.5872388763026262
Energy: 0.5000329253518135
Energy: 0.5872388763030525
Energy: 0.5689877623474623
Energy: 0.5460436493544659
Energy: 0.5689877623470359
Energy: 0.5460436493548924
Energy: 0.5689877623470359
Energy: 0.5460436493544659
Energy: 0.57491577637672
Energy: 0.5162081162443236
Energy: 0.5749157763762935
Energy: 0.5162081162438973
Energy: 0.5749157763762935
Energy: 0.5162081162443236
Energy: 0.5278660680472643
Energy: 0.5641703647413917
Energy: 0.5278660680630414
Energy: 0.5641703647413917
Energy: 0.5278660680476907
Energy: 0.5641703647413917
Energy: 0.5284872154979844
Energy: 0.5680276742238418
Energy: 0.5285013716359913
Energy: 0.5680276742234153
Energy: 0.5284874112882592
Energy: 0.5680276742238418
Energy: 0.5872378924211832
Energy: 0.5147873815530083
Energy: 0.5872378924216095
Energy: 0.5147873815521555
Energy: 0.5872378924211832
Energy: 0.5147873815513027
Energy: 0.4977285362357681
Energy: 0.5679434753786444
Energy: 0.49772853691302
Energy: 0.5679434753786444
Energy: 0.4977285370886224
Energy: 0.5679434753786444
Energy: 0.4994933331879696
Energy: 0.5699584145939864
Energy: 0.49949333318626404
Energy: 0.5699584145939864
Energy: 0.4994933331875432
Energy: 0.5699584145935601
Energy: 0.5748112927978989
Energy: 0.5098383563504344
Energy: 0.5748112927987518
Energy: 0.5098383563504344
Energy: 0.5748112927978989
Energy: 0.509838356350008
Energy: 0.5717479461056764
Energy: 0.5072750523137425
Energy: 0.5717479461061028
Energy: 0.5072750523081991
Energy: 0.5717479461061028
Energy: 0.5072750523111839

minimum gb energy = 0.4970259047401765 eV
minimum distance =  2.59909847582802 Angstroms
sigma value = 33


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

Energy: 0.011733830871583228
Energy: 0.3926147497263928
Energy: 0.011733830871583228
Energy: 0.39261474972605825
Energy: 0.011733830871583228
Energy: 0.3926147497263928
Energy: 0.013135554812380849
Energy: 0.17518777865491558
Energy: 0.013135554812026561
Energy: 0.17518777865491558
Energy: 0.013135554812380849
Energy: 0.17518777865491558
Energy: 0.3929467857684001
Energy: 0.1755215186284462
Energy: 0.39294679072930383
Energy: 0.17552049199382627
Energy: 0.39294679783908476
Energy: 0.17552389563731752
Energy: 0.013135554812026561
Energy: 0.17518777865491558
Energy: 0.013135554812026561
Energy: 0.17518777865491558
Energy: 0.013135554812026561
Energy: 0.17518777865491558

minimum gb energy = 0.011733830871583228 eV
minimum distance =  2.83530856680944 Angstroms
sigma value = 1