Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_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=4.070949114859104
cohesive_energy=3.369388139873114
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: 0.010290589273656501
Energy: 0.5095703699311266
Energy: 0.010290589273656501
Energy: 0.5095703699311266
Energy: 0.010290589273656501
Energy: 0.509570369931374
Energy: 0.509570369931374
Energy: 0.5861700161050485
Energy: 0.509570369931374
Energy: 0.7053496781948551
Energy: 0.509570369931374
Energy: 0.7710049791413206
Energy: 0.010290589273656501
Energy: 0.509570369931374
Energy: 0.010290589273903795
Energy: 0.5095703699311266
Energy: 0.010290589273656501
Energy: 0.5095703699311266
Energy: 0.5095703699311266
Energy: 0.7053496781951024
Energy: 0.5095703699308793
Energy: 0.7508884201851879
Energy: 0.509570369931374
Energy: 0.7710049791413206
Energy: 0.010290589273656501
Energy: 0.509570369931374
Energy: 0.010290589273903795
Energy: 0.5095703699311266
Energy: 0.010290589273656501
Energy: 0.509570369931374
Energy: 0.5095703699311266
Energy: 0.7710049791413206
Energy: 0.5095703699311266
Energy: 0.7710049791415404
Energy: 0.509570369931374
Energy: 0.7710049791415404

minimum gb energy = 0.010290589273656501 eV
minimum distance =  2.58997002832216 Angstroms
sigma value = 1


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

Energy: 0.7199098088956865
Energy: 0.7043653413749966
Energy: 0.7199098088944957
Energy: 0.7043653413749966
Energy: 0.7199098088950909
Energy: 0.7043653413749966
Energy: 0.7401293132830286
Energy: 0.6134306919451769
Energy: 0.7401293132830286
Energy: 0.6134306919451769
Energy: 0.7401293132830286
Energy: 0.6134306919451769
Energy: 0.6730461511058349
Energy: 0.7376885034781903
Energy: 0.6730461511058349
Energy: 0.7376885034775951
Energy: 0.6730461511058349
Energy: 0.7376885034781903
Energy: 0.7166844273486759
Energy: 0.631026858204114
Energy: 0.7166844273433186
Energy: 0.631026858204114
Energy: 0.7166844273415327
Energy: 0.631026858204114
Energy: 0.6600316485444926
Energy: 0.707059349107568
Energy: 0.6600316485438974
Energy: 0.7070593491081631
Energy: 0.6600316485438974
Energy: 0.707059349107568
Energy: 0.7100034141598486
Energy: 0.6450228853116844
Energy: 0.7100034141598486
Energy: 0.6450228853110892
Energy: 0.7100034141604439
Energy: 0.6450228853110892
Energy: 0.6545462359919176
Energy: 0.7116713437136349
Energy: 0.6545462359919176
Energy: 0.7116713437136349
Energy: 0.6545462359919176
Energy: 0.7116713437136349
Energy: 0.6594248368914299
Energy: 0.7388134642242352
Energy: 0.6594248368920251
Energy: 0.7388134642218541
Energy: 0.6594248368914299
Energy: 0.7388134642248306
Energy: 0.6861871580319745
Energy: 0.6988838888315565
Energy: 0.6861871580325697
Energy: 0.6988838888309611
Energy: 0.6861871580319745
Energy: 0.6988838888309611
Energy: 0.5933669104594566
Energy: 0.7258501888193493
Energy: 0.5933669104594566
Energy: 0.7258501888193493
Energy: 0.5933669104594566
Energy: 0.7258501888199445
Energy: 0.7011589001919747
Energy: 0.6067855449267502
Energy: 0.7011589001913794
Energy: 0.6067855449261549
Energy: 0.7011589001919747
Energy: 0.6067855449267502
Energy: 0.5794606587561197
Energy: 0.7642036693150891
Energy: 0.5794606587561197
Energy: 0.7642036693156843
Energy: 0.5794606587555244
Energy: 0.7642036693156843
Energy: 0.7219001517725556
Energy: 0.5728791424858705
Energy: 0.7219001517713651
Energy: 0.5728791424864658
Energy: 0.7219001517725556
Energy: 0.5728791424864658
Energy: 0.6395229779778231
Energy: 0.7109494675994195
Energy: 0.6395229779784183
Energy: 0.7109494676000148
Energy: 0.6395229779784183
Energy: 0.71094946760061
Energy: 0.7506149068640674
Energy: 0.6171188381422235
Energy: 0.7506149068640674
Energy: 0.6171188381440091
Energy: 0.7506149068640674
Energy: 0.6171188381434138
Energy: 0.7382645497186536
Energy: 0.7064128479931588
Energy: 0.7382645497198442
Energy: 0.7064128479931588
Energy: 0.7382645497186536
Energy: 0.7064128479931588
Energy: 0.6781686148814038
Energy: 0.6506534494137601
Energy: 0.6781686148784275
Energy: 0.6506534494137601
Energy: 0.6781686148802133
Energy: 0.6506534494143553
Energy: 0.6924039298337408
Energy: 0.6717171315577256
Energy: 0.6924039298331455
Energy: 0.6717171315577256
Energy: 0.6924039298325501
Energy: 0.6717171315571302
Energy: 0.6512335708521402
Energy: 0.7018502121412057
Energy: 0.6512335708527356
Energy: 0.7018502121412057
Energy: 0.6512335708533308
Energy: 0.7018502121418011
Energy: 0.7134208158706752
Energy: 0.6558165040076156
Energy: 0.7134208158724611
Energy: 0.6558165040076156
Energy: 0.7134208158694847
Energy: 0.6558165040076156
Energy: 0.6280924422206655
Energy: 0.788146007507067
Energy: 0.6280924422206655
Energy: 0.7881460075064718
Energy: 0.6280924422206655
Energy: 0.7881460075064718
Energy: 0.6866619155010889
Energy: 0.6861541271961368
Energy: 0.6866619155010889
Energy: 0.6861541271979227
Energy: 0.6866619155010889
Energy: 0.6861541271967321
Energy: 0.5751196670248754
Energy: 0.7187492477982204
Energy: 0.5751196670254707
Energy: 0.7187492477982204
Energy: 0.5751196670248754
Energy: 0.7187492477982204

minimum gb energy = 0.5728791424858705 eV
minimum distance =  2.54738599548217 Angstroms
sigma value = 33


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

Energy: 0.6988654362939198
Energy: 0.6878738423685333
Energy: 0.6568381512757333
Energy: 0.6878738423692105
Energy: 0.6988654362939198
Energy: 0.687873842368872
Energy: 0.6991867844700681
Energy: 0.6856495955279651
Energy: 0.699186784471761
Energy: 0.6856495955283037
Energy: 0.699186784471084
Energy: 0.6856495955279651
Energy: 0.6295608673140357
Energy: 0.6819866453639097
Energy: 0.6295608673150513
Energy: 0.6819866453639097
Energy: 0.6295608673136971
Energy: 0.681986645362894
Energy: 0.7353119795467324
Energy: 0.6970709108189811
Energy: 0.7353119795460552
Energy: 0.6970709108179655
Energy: 0.7353119795463937
Energy: 0.6970709108199968
Energy: 0.6440538985055102
Energy: 0.6947711813232563
Energy: 0.6440538985048331
Energy: 0.6947711839640657
Energy: 0.6440538985061873
Energy: 0.6947711867534521
Energy: 0.6365018026549786
Energy: 0.6347009010174012
Energy: 0.6365018026556557
Energy: 0.6340630659048605
Energy: 0.6365018026563329
Energy: 0.6347009010197713
Energy: 0.6871600786835358
Energy: 0.6994246550703471
Energy: 0.6871600786838743
Energy: 0.6762386714413751
Energy: 0.6871600786831972
Energy: 0.6994246546737102
Energy: 0.6038395099082768
Energy: 0.7224001242963807
Energy: 0.6038395099069224
Energy: 0.722400124295365
Energy: 0.6038395099075996
Energy: 0.7224001242960421
Energy: 0.6447828699916508
Energy: 0.6244430531672641
Energy: 0.6447828699943595
Energy: 0.6244430531655711
Energy: 0.6447828699943595
Energy: 0.6244430531662483
Energy: 0.5740371657957221
Energy: 0.7272042458105942
Energy: 0.574038738126772
Energy: 0.7272042457858774
Energy: 0.5740371657963992
Energy: 0.7272042458234602
Energy: 0.6907605917927905
Energy: 0.5877829953383842
Energy: 0.6907605986098612
Energy: 0.5877829953373686
Energy: 0.6907605976592069
Energy: 0.5877829953366912
Energy: 0.5893237011838872
Energy: 0.6702244463616127
Energy: 0.5893374596802011
Energy: 0.6702244463633056
Energy: 0.5893237011838872
Energy: 0.6702244463619512
Energy: 0.6973684298830485
Energy: 0.6269939955297238
Energy: 0.6973684298833871
Energy: 0.626993995530401
Energy: 0.6973684298840642
Energy: 0.6269939955307395
Energy: 0.661357820717729
Energy: 0.6627370577851087
Energy: 0.6613578207156975
Energy: 0.6627370577830772
Energy: 0.6613578207173905
Energy: 0.6627370577817228
Energy: 0.7542731934444836
Energy: 0.6647433414176522
Energy: 0.7542731934438064
Energy: 0.6647433414173137
Energy: 0.754273193444145
Energy: 0.6647433414190066
Energy: 0.6454859251826819
Energy: 0.6702789420071853
Energy: 0.6454859251826819
Energy: 0.6702789420075238
Energy: 0.6454859251826819
Energy: 0.6702789420065082
Energy: 0.7285279197056963
Energy: 0.703024829438465
Energy: 0.7285279197063735
Energy: 0.7030248294391422
Energy: 0.7285279197070506
Energy: 0.7030248294391422
Energy: 0.6465031309615923
Energy: 0.6431386212829022
Energy: 0.646503129982189
Energy: 0.6428897614445173
Energy: 0.6465031305622466
Energy: 0.6431386212825637
Energy: 0.6362413680985668
Energy: 0.7028334465945626
Energy: 0.6362413680982282
Energy: 0.7053925143286943
Energy: 0.6362413680982282
Energy: 0.702833446591854
Energy: 0.6956267727351942
Energy: 0.6586642292726935
Energy: 0.6956267727355328
Energy: 0.6794351832612887
Energy: 0.6956267727348556
Energy: 0.6586642292733706
Energy: 0.5919477058245304
Energy: 0.7320625670848109
Energy: 0.5919477058258847
Energy: 0.7320625670848109
Energy: 0.5919477058252076
Energy: 0.7320625670844725
Energy: 0.6957555504704539
Energy: 0.6276964399916873
Energy: 0.6957555504721469
Energy: 0.6276964399906716
Energy: 0.6957555504711311
Energy: 0.6276964399910102
Energy: 0.5782598728818168
Energy: 0.7140966167542454
Energy: 0.5800556448576235
Energy: 0.714096617401312
Energy: 0.5782598728804625
Energy: 0.7140966179177773
Energy: 0.691592404123324
Energy: 0.6419152352196178
Energy: 0.6915924043602103
Energy: 0.6419152352189406
Energy: 0.6915924044431329
Energy: 0.6419152352192791
Energy: 0.6299765754104064
Energy: 0.684621775772789
Energy: 0.6287456632529566
Energy: 0.6846217757721119
Energy: 0.6299765754117299
Energy: 0.684621775772789
Energy: 0.7371411757855111
Energy: 0.700375356744337
Energy: 0.7048531374296438
Energy: 0.700375356752463
Energy: 0.7371411757851725
Energy: 0.7003753567866294
Energy: 0.7253740954809107
Energy: 0.6834275708174246
Energy: 0.70689366776359
Energy: 0.683427570819456
Energy: 0.7253740954795563
Energy: 0.6834275708214875
Energy: 0.6256932925964482
Energy: 0.6676861734451893
Energy: 0.6256932925961096
Energy: 0.6676861734448507
Energy: 0.6256932925947553
Energy: 0.6676861734438349
Energy: 0.7354344900558819
Energy: 0.6029937955751243
Energy: 0.7354344900565591
Energy: 0.6029937955903606
Energy: 0.7354344900575749
Energy: 0.6029937956021802
Energy: 0.5883950335495421
Energy: 0.7368666843584933
Energy: 0.5883950335508964
Energy: 0.7368666843581547
Energy: 0.5883950335498807
Energy: 0.7368666843595091
Energy: 0.7184725233019882
Energy: 0.6289978188580868
Energy: 0.7184725233030039
Energy: 0.6337368889164441
Energy: 0.7184725233026653
Energy: 0.6289978188577482
Energy: 0.6206244488212319
Energy: 0.7272863815192774
Energy: 0.6206244488215704
Energy: 0.7005632477998524
Energy: 0.6206244488232634
Energy: 0.727286381518939
Energy: 0.6948381403015433
Energy: 0.6795938164800398
Energy: 0.694838140302559
Energy: 0.6586980356971297
Energy: 0.6948381403028976
Energy: 0.679593816481702
Energy: 0.6658456732202258
Energy: 0.7481206095548115
Energy: 0.6658456732198872
Energy: 0.748120609553457
Energy: 0.6658456732212416
Energy: 0.748120609553457
Energy: 0.674020225056535
Energy: 0.6333778026489284
Energy: 0.6740202250585666
Energy: 0.633377802649267
Energy: 0.6740202250572124
Energy: 0.6333778026489284
Energy: 0.7062672168080103
Energy: 0.7394389164122155
Energy: 0.7062672168080103
Energy: 0.7394389164125541
Energy: 0.7062672168086874
Energy: 0.7394389164118769
Energy: 0.6394270188963955
Energy: 0.6443483835478581
Energy: 0.6394338716249887
Energy: 0.6443483835485353
Energy: 0.6394270188967341
Energy: 0.6443483835498897
Energy: 0.6944382721665221
Energy: 0.6350110117026919
Energy: 0.6944382721800655
Energy: 0.6350110117026919
Energy: 0.6944382721597504
Energy: 0.6350110117006604
Energy: 0.6610217984017375
Energy: 0.6858481378209659
Energy: 0.6610217984010603
Energy: 0.6858481378202888
Energy: 0.6610217984024146
Energy: 0.6858481378202888
Energy: 0.7281506418375725
Energy: 0.5917372785485666
Energy: 0.7281506418368952
Energy: 0.5917372785482281
Energy: 0.7281506418382496
Energy: 0.5917372785482281
Energy: 0.58930828630861
Energy: 0.6500013279675162
Energy: 0.58930828630861
Energy: 0.6500013279678547
Energy: 0.5893082863075944
Energy: 0.6500013279675162

minimum gb energy = 0.5740371657957221 eV
minimum distance =  2.66170214967622 Angstroms
sigma value = 51


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

Energy: 0.6955583244507569
Energy: 0.6908531289252237
Energy: 0.6955583244507569
Energy: 0.6908531289252237
Energy: 0.6955583244515413
Energy: 0.6908531289252237
Energy: 0.7192759430419824
Energy: 0.6317925997566719
Energy: 0.7192759430419824
Energy: 0.6317925997551029
Energy: 0.7192759430419824
Energy: 0.6317925997551029
Energy: 0.6429559867771667
Energy: 0.7586091015219335
Energy: 0.6429559867771667
Energy: 0.7586091015219335
Energy: 0.6429559867771667
Energy: 0.7586091015219335
Energy: 0.6442041737943893
Energy: 0.6069914325855513
Energy: 0.6442041737967428
Energy: 0.6069914325855513
Energy: 0.6442041737990963
Energy: 0.6069914325855513
Energy: 0.696309269034694
Energy: 0.6889123372880942
Energy: 0.6963092690339094
Energy: 0.6889123372880942
Energy: 0.696309269034694
Energy: 0.6889123372880942
Energy: 0.7096805536591101
Energy: 0.6785821678094834
Energy: 0.7096805536591101
Energy: 0.6785821678086988
Energy: 0.7096805536591101
Energy: 0.6785821678086988
Energy: 0.6515082651326939
Energy: 0.6740226256148605
Energy: 0.6515082651319272
Energy: 0.6740226256148605
Energy: 0.6515082651326939
Energy: 0.6740226256148605
Energy: 0.6025745955442713
Energy: 0.6934096497610067
Energy: 0.6025745955427023
Energy: 0.6934096497610067
Energy: 0.6025745955427023
Energy: 0.6934096497610067
Energy: 0.7497389652664151
Energy: 0.5967088659871029
Energy: 0.7497389652664151
Energy: 0.5967088659871029
Energy: 0.7497389652664151
Energy: 0.5967088659871029
Energy: 0.6441103529580344
Energy: 0.7770867620658196
Energy: 0.6441103529580344
Energy: 0.7770867620658196
Energy: 0.6441103529580344
Energy: 0.7770867620650349
Energy: 0.7578894589068885
Energy: 0.5991175772846155
Energy: 0.7578894589068885
Energy: 0.5991175772854
Energy: 0.757889458907673
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Energy: 0.7001449927453256
Energy: 0.6898997288043237
Energy: 0.7001449927437565
Energy: 0.6898997288043237
Energy: 0.7001449927453256
Energy: 0.6898997288043237
Energy: 0.7181351438994766
Energy: 0.6299822932033923
Energy: 0.7181351438994766
Energy: 0.6299822932033923
Energy: 0.7181351439002611
Energy: 0.6299822932033923
Energy: 0.6451222157880543
Energy: 0.6409456484965499
Energy: 0.6451222157880543
Energy: 0.6409456484965499
Energy: 0.6451222157880543
Energy: 0.640945648487136
Energy: 0.6506942587421624
Energy: 0.689000695482692
Energy: 0.6506942587421624
Energy: 0.689000695482692
Energy: 0.6506942587421624
Energy: 0.6890006954819076
Energy: 0.6900716370443564
Energy: 0.6729465821056636
Energy: 0.6900716370435718
Energy: 0.6729465821064481
Energy: 0.6900716370443564
Energy: 0.6729465821064481
Energy: 0.703493972616512
Energy: 0.7490311201750787
Energy: 0.7034939726172965
Energy: 0.7490311201750787
Energy: 0.703493972616512
Energy: 0.7490311201750787
Energy: 0.6480550480409492
Energy: 0.6587810685396195
Energy: 0.6480550480409492
Energy: 0.6587810685396195
Energy: 0.6480550480409492
Energy: 0.6587810685396195

minimum gb energy = 0.5967088659871029 eV
minimum distance =  2.5314648676484 Angstroms
sigma value = 19


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

Energy: 0.6344355322161467
Energy: 0.5498098493319453
Energy: 0.634435532216612
Energy: 0.5498098493319453
Energy: 0.6344355322161467
Energy: 0.5498098493319453
Energy: 0.6414923355619786
Energy: 0.716170765173418
Energy: 0.6414923355619786
Energy: 0.716170765173418
Energy: 0.641492335562444
Energy: 0.716170765173418
Energy: 0.5270873499276978
Energy: 0.8089505680148908
Energy: 0.5270873499281631
Energy: 0.8089505680148908
Energy: 0.5270873499276978
Energy: 0.8089505680148908
Energy: 0.6390818701403557
Energy: 0.5267383739445693
Energy: 0.6390818701343063
Energy: 0.5267383739445693
Energy: 0.6390818701398904
Energy: 0.5267383739445693
Energy: 0.532448974599224
Energy: 0.6221440309969117
Energy: 0.532448974599224
Energy: 0.6221440294224317
Energy: 0.532448974599224
Energy: 0.622144030030357
Energy: 0.5324980748324918
Energy: 0.6400398419297466
Energy: 0.5324980748315611
Energy: 0.6400398419297466
Energy: 0.5324980748315611
Energy: 0.6400398419292813
Energy: 0.6654100893212124
Energy: 0.5267316174351003
Energy: 0.6654100893212124
Energy: 0.5267316174355657
Energy: 0.6654100893212124
Energy: 0.5267316174351003
Energy: 0.527101108122519
Energy: 0.8083502428328738
Energy: 0.527101108122519
Energy: 0.8083502428333392
Energy: 0.527101108122519
Energy: 0.8083502428328738
Energy: 0.641538508492567
Energy: 0.7247544294412361
Energy: 0.6415385084930324
Energy: 0.7247544294412361
Energy: 0.641538508492567
Energy: 0.7247544294412361
Energy: 0.634435532216612
Energy: 0.5498098493319453
Energy: 0.634435532215216
Energy: 0.5498098493319453
Energy: 0.6344355322156814
Energy: 0.5498098493319453
Energy: 0.641492335562444
Energy: 0.716170765173418
Energy: 0.6414923355629093
Energy: 0.7161707651729529
Energy: 0.641492335562444
Energy: 0.7161707651729529
Energy: 0.5270873499276978
Energy: 0.8089505680148908
Energy: 0.5270873499276978
Energy: 0.8089505680148908
Energy: 0.5270873499281631
Energy: 0.8089505680144257
Energy: 0.6390818701370983
Energy: 0.5267383739445693
Energy: 0.6390818701594134
Energy: 0.5267383739445693
Energy: 0.63908187014778
Energy: 0.5267383739441039
Energy: 0.5324489745996894
Energy: 0.622144033220711
Energy: 0.5324489746001546
Energy: 0.6221440291066136
Energy: 0.5324489745996894
Energy: 0.6221440328253406
Energy: 0.5324980748310958
Energy: 0.6400398419283506
Energy: 0.5324980748320264
Energy: 0.6400398419302119
Energy: 0.5324980748306304
Energy: 0.6400398419292813
Energy: 0.6654100893212124
Energy: 0.5267316174355657
Energy: 0.665410089320747
Energy: 0.5267316174351003
Energy: 0.665410089320747
Energy: 0.5267316174355657
Energy: 0.527101108122519
Energy: 0.8083502428328738
Energy: 0.527101108122519
Energy: 0.8083502428328738
Energy: 0.527101108122519
Energy: 0.8083502428328738
Energy: 0.641538508492567
Energy: 0.7247544294407708
Energy: 0.641538508492567
Energy: 0.7247544294412361
Energy: 0.6415385084921017
Energy: 0.7247544294412361
Energy: 0.6344355322161467
Energy: 0.5498098493319453
Energy: 0.6344355322156814
Energy: 0.5498098493324105
Energy: 0.634435532215216
Energy: 0.5498098493319453
Energy: 0.6414923355619786
Energy: 0.716170765173418
Energy: 0.6414923355619786
Energy: 0.716170765173418
Energy: 0.641492335562444
Energy: 0.7161707651729529
Energy: 0.5270873499276978
Energy: 0.8089505680148908
Energy: 0.5270873499276978
Energy: 0.8089505680144257
Energy: 0.5270873499276978
Energy: 0.8089505680144257
Energy: 0.6390818701263954
Energy: 0.5267383739445693
Energy: 0.6390818701519679
Energy: 0.5267383739445693
Energy: 0.6390818701398904
Energy: 0.5267383739441039
Energy: 0.5324489746001546
Energy: 0.6221440321229936
Energy: 0.532448974599224
Energy: 0.6221440338700303
Energy: 0.5324489745996894
Energy: 0.6221440333928023
Energy: 0.5324980748324918
Energy: 0.6400398419302119
Energy: 0.5324980748320264
Energy: 0.6400398419292813
Energy: 0.5324980748315611
Energy: 0.6400398419297466
Energy: 0.6654100893212124
Energy: 0.5267316174351003
Energy: 0.6654100893212124
Energy: 0.5267316174355657
Energy: 0.6654100893212124
Energy: 0.5267316174351003
Energy: 0.5271011081229842
Energy: 0.8083502428328738
Energy: 0.527101108122519
Energy: 0.8083502428328738
Energy: 0.5271011081229842
Energy: 0.8083502428328738
Energy: 0.641538508492567
Energy: 0.7247544294412361
Energy: 0.6415385084930324
Energy: 0.7247544294412361
Energy: 0.6415385084930324
Energy: 0.7247544294412361
Energy: 0.634435532215216
Energy: 0.5498098493319453
Energy: 0.6344355322156814
Energy: 0.5498098493319453
Energy: 0.6344355322147507
Energy: 0.5498098493319453
Energy: 0.6414923355619786
Energy: 0.716170765173418
Energy: 0.641492335562444
Energy: 0.716170765173418
Energy: 0.641492335562444
Energy: 0.716170765173418
Energy: 0.5270873499281631
Energy: 0.8089505680148908
Energy: 0.5270873499276978
Energy: 0.8089505680144257
Energy: 0.5270873499281631
Energy: 0.8089505680148908

minimum gb energy = 0.5267316174351003 eV
minimum distance =  2.49208476402782 Angstroms
sigma value = 27


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

Energy: 0.6258682147680614
Energy: 0.5959195810686385
Energy: 0.6258682147680614
Energy: 0.5959195810686385
Energy: 0.6258682147680614
Energy: 0.5959195810686385
Energy: 0.6879812441577744
Energy: 0.6320285994603672
Energy: 0.6879812441589142
Energy: 0.6320285994603672
Energy: 0.6879812441611939
Energy: 0.6320285994603672
Energy: 0.555817329053559
Energy: 0.7547083796166308
Energy: 0.555817329053559
Energy: 0.7547083796166308
Energy: 0.5576903251793675
Energy: 0.7547083796177707
Energy: 0.6460033947823092
Energy: 0.5933770202725571
Energy: 0.6460033947959615
Energy: 0.5933770202725571
Energy: 0.6460033944929175
Energy: 0.5933770202725571
Energy: 0.6531492711873166
Energy: 0.5986425547406087
Energy: 0.6531492711873166
Energy: 0.5986425547406087
Energy: 0.6531492711873166
Energy: 0.5986425547406087
Energy: 0.6355757290181246
Energy: 0.6826580972853431
Energy: 0.6355757290124254
Energy: 0.6826580973206524
Energy: 0.6355757290055862
Energy: 0.6826580973126735
Energy: 0.5667279740510115
Energy: 0.6303632123482804
Energy: 0.5786620764775299
Energy: 0.6303632123482804
Energy: 0.5667279740510115
Energy: 0.6303632123482804
Energy: 0.6320058341961065
Energy: 0.6008110355922992
Energy: 0.6320058341972463
Energy: 0.6008110355922992
Energy: 0.6320058341972463
Energy: 0.6008110355922992
Energy: 0.6789205113591121
Energy: 0.5907423122249067
Energy: 0.6789205113591121
Energy: 0.5907423122249067
Energy: 0.6789205113602519
Energy: 0.5907423122249067
Energy: 0.5795217782931548
Energy: 0.7162614872398156
Energy: 0.5795217782931548
Energy: 0.7162614872398156
Energy: 0.579521778292015
Energy: 0.7162614872398156
Energy: 0.6081661260920257
Energy: 0.5942680341498296
Energy: 0.5556609108649705
Energy: 0.5942680341498296
Energy: 0.6081661260920257
Energy: 0.5942680341498296
Energy: 0.6702565923669638
Energy: 0.7016476762193343
Energy: 0.6702565923749428
Energy: 0.7016476762193343
Energy: 0.6702565923840614
Energy: 0.7016476762181945

minimum gb energy = 0.5556609108649705 eV
minimum distance =  2.56726360099097 Angstroms
sigma value = 9


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

Energy: 0.5877552744098405
Energy: 0.535377668600526
Energy: 0.5877552744098405
Energy: 0.5353776686018071
Energy: 0.5877552744095202
Energy: 0.5353776686018071
Energy: 0.7058560603340863
Energy: 0.5498359876731234
Energy: 0.7058560603350471
Energy: 0.5639841602661038
Energy: 0.7058560603337661
Energy: 0.556806826819219
Energy: 0.5384512090566391
Energy: 0.7351758422226059
Energy: 0.5384512090559985
Energy: 0.7351758422248479
Energy: 0.5384512090566391
Energy: 0.7351758422258086
Energy: 0.5729691295032476
Energy: 0.5536265562475191
Energy: 0.5729691295029273
Energy: 0.5536265562475191
Energy: 0.5729691295032476
Energy: 0.5536265562475191
Energy: 0.5504871244646972
Energy: 0.5185691432636303
Energy: 0.5504871244614943
Energy: 0.5185691549546559
Energy: 0.5504871244592525
Energy: 0.5185691616449957
Energy: 0.5912467709873096
Energy: 0.5687235536106511
Energy: 0.5912467709892313
Energy: 0.5687235325734958
Energy: 0.5912467709850677
Energy: 0.6385609662774618
Energy: 0.5601661297171961
Energy: 0.617823240847459
Energy: 0.5601661357512747
Energy: 0.6178232408480996
Energy: 0.5601661468385634
Energy: 0.617823240847459
Energy: 0.5340532992662672
Energy: 0.5871394906709801
Energy: 0.5340532992662672
Energy: 0.5871394906706598
Energy: 0.5340532992662672
Energy: 0.5871394906706598
Energy: 0.6988728200679833
Energy: 0.5293896553349133
Energy: 0.6988728200679833
Energy: 0.5293896553355538
Energy: 0.698872820067663
Energy: 0.5293896553361943
Energy: 0.6141662949461562
Energy: 0.6889644692449506
Energy: 0.6141662949461562
Energy: 0.6889644692475129
Energy: 0.6141662949461562
Energy: 0.6889644692414277
Energy: 0.5425634006274167
Energy: 0.5467191300592942
Energy: 0.5425634006274167
Energy: 0.5467191300605753
Energy: 0.5425634006274167
Energy: 0.5467191300605753
Energy: 0.5155167976534849
Energy: 0.5583993270358085
Energy: 0.5155167976541255
Energy: 0.5583993270354882
Energy: 0.5155167976544457
Energy: 0.5583993270342072
Energy: 0.5759815116894001
Energy: 0.5652805746807548
Energy: 0.5759815177686076
Energy: 0.5652805746820359
Energy: 0.5759815389418191
Energy: 0.5652805746823562
Energy: 0.5836238674996284
Energy: 0.5767302789686365
Energy: 0.5836238675095275
Energy: 0.5767302789772838
Energy: 0.5836238675268222
Energy: 0.5767302789782446
Energy: 0.5507579947950845
Energy: 0.596483820081498
Energy: 0.5507579947957251
Energy: 0.5964838200811776
Energy: 0.5507579947950845
Energy: 0.596483820081498
Energy: 0.65996062411836
Energy: 0.5804001612382877
Energy: 0.6599606241186803
Energy: 0.5804001612379674
Energy: 0.65996062411836
Energy: 0.5804001612389282
Energy: 0.6389825064234793
Energy: 0.6554469309708943
Energy: 0.6389825064231592
Energy: 0.6554469309708943
Energy: 0.6389825064231592
Energy: 0.6554469309712145
Energy: 0.5518205095566607
Energy: 0.5280020235203836
Energy: 0.5518205095576215
Energy: 0.528002023520704
Energy: 0.5518205095563403
Energy: 0.5280020235200634
Energy: 0.5350132307546281
Energy: 0.6698136396784312
Energy: 0.5350132307546281
Energy: 0.6698136396787514
Energy: 0.5350132307549483
Energy: 0.6698136396790718
Energy: 0.7210910408031752
Energy: 0.6000620002251892
Energy: 0.7210910408031752
Energy: 0.6000620002255094
Energy: 0.7210910408031752
Energy: 0.6000620002255094
Energy: 0.5325877184235425
Energy: 0.6355029615772061
Energy: 0.5325877184238628
Energy: 0.6355029615762452
Energy: 0.5325877184225816
Energy: 0.6355029615790986
Energy: 0.5511631616650475
Energy: 0.539363314640123
Energy: 0.5511631616650475
Energy: 0.539363314640123
Energy: 0.5511631616650475
Energy: 0.5393633146407636
Energy: 0.6393788108178784
Energy: 0.6561894849733076
Energy: 0.6393788108175581
Energy: 0.6561894849729875
Energy: 0.6393788108172378
Energy: 0.656189484973628
Energy: 0.6609094078735649
Energy: 0.5760581240706085
Energy: 0.6609094078751663
Energy: 0.5760581240702881
Energy: 0.6609094078751663
Energy: 0.5760581240587586
Energy: 0.5510808605316325
Energy: 0.5668075771219685
Energy: 0.551080860532273
Energy: 0.5668075771222887
Energy: 0.5510808605316325
Energy: 0.5668075771219685
Energy: 0.5835590274345723
Energy: 0.5777176860409774
Energy: 0.5835590274451412
Energy: 0.5777176860409774
Energy: 0.5835590274393764
Energy: 0.5777176860419382
Energy: 0.6191199239403598
Energy: 0.5657154489765132
Energy: 0.6191199239560529
Energy: 0.565715448977474
Energy: 0.619119923945484
Energy: 0.565715448978755
Energy: 0.514075122678753
Energy: 0.5381042349946641
Energy: 0.5140751226797139
Energy: 0.5381042349949844
Energy: 0.514075122678753
Energy: 0.5381042349940235
Energy: 0.542783811551694
Energy: 0.5455289407464236
Energy: 0.542783811551694
Energy: 0.5455289407473843
Energy: 0.5427838115520142
Energy: 0.5455289407464236
Energy: 0.5734029450781049
Energy: 0.7493754700443149
Energy: 0.5734029451661498
Energy: 0.7493754700449554
Energy: 0.5734029450268908
Energy: 0.7493754700443149
Energy: 0.6952257849958225
Energy: 0.5288909287895464
Energy: 0.6952257849894171
Energy: 0.5288909287674769
Energy: 0.6952257849926198
Energy: 0.5288909287892262
Energy: 0.5364729561771727
Energy: 0.5869340090995671
Energy: 0.5364729561774928
Energy: 0.5869340090992469
Energy: 0.5364729561774928
Energy: 0.5869340090998874
Energy: 0.5612837222000652
Energy: 0.6192859771729581
Energy: 0.5612837222250462
Energy: 0.6192859771729581
Energy: 0.561283722248717
Energy: 0.6192859771729581
Energy: 0.5830173584969278
Energy: 0.6646607420886423
Energy: 0.5830173588942075
Energy: 0.6646607421056167
Energy: 0.5830173584918035
Energy: 0.6646607421949428
Energy: 0.5508908746784172
Energy: 0.5320068385663667
Energy: 0.5508908746774565
Energy: 0.5320068385746937
Energy: 0.5508908746774565
Energy: 0.5320068385481113
Energy: 0.5727227353647742
Energy: 0.5491858645968895
Energy: 0.5727227353634932
Energy: 0.5491858645968895
Energy: 0.5727227353593588
Energy: 0.549185864598811
Energy: 0.538244390012148
Energy: 0.7341738337884887
Energy: 0.5382443900115076
Energy: 0.7341738337907305
Energy: 0.5382443900111872
Energy: 0.7341738337897697
Energy: 0.7128928211199788
Energy: 0.591272420844625
Energy: 0.7128928211196585
Energy: 0.5912724208449451
Energy: 0.71289282112059
Energy: 0.5912724208449451
Energy: 0.5877552744108014
Energy: 0.5353776686043693
Energy: 0.5877552744108014
Energy: 0.5353776686037287
Energy: 0.587755274410481
Energy: 0.535377668604049
Energy: 0.7058560603302432
Energy: 0.5498359876804896
Energy: 0.705856060333446
Energy: 0.5498359876804896
Energy: 0.7058560603260796
Energy: 0.5498359876801693
Energy: 0.5384512090578911
Energy: 0.7351758421605028
Energy: 0.5384512090575708
Energy: 0.7351758421608231
Energy: 0.5384512090582113
Energy: 0.735175842165627
Energy: 0.5729691295045286
Energy: 0.5536265562471988
Energy: 0.5729691295042083
Energy: 0.5536265562475191
Energy: 0.5729691295042083
Energy: 0.5536265562475191
Energy: 0.5504871244765179
Energy: 0.5185692100475958
Energy: 0.5504871244765179
Energy: 0.5185692482246649
Energy: 0.5504871244761977
Energy: 0.5185692611517263

minimum gb energy = 0.514075122678753 eV
minimum distance =  2.61832853409106 Angstroms
sigma value = 57


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

Energy: 0.383370124863567
Energy: 0.36438128703351735
Energy: 0.29092638127773474
Energy: 0.36438128703351735
Energy: 0.3833701248628379
Energy: 0.3643812870342464
Energy: 0.6803795924099738
Energy: 0.3578017992890749
Energy: 0.6803795924485803
Energy: 0.3571403811285669
Energy: 0.6803795924172642
Energy: 0.3578017992890749
Energy: 0.4077957482984678
Energy: 0.5716069970469121
Energy: 0.40779574829773874
Energy: 0.5180646891968034
Energy: 0.40779574829773874
Energy: 0.5716069970469121
Energy: 0.36465444725007423
Energy: 0.3354424317772661
Energy: 0.3646544472508033
Energy: 0.2907554045900354
Energy: 0.3646544472508033
Energy: 0.335442431775808
Energy: 0.4075706695828962
Energy: 0.6767088695421386
Energy: 0.4075706695821672
Energy: 0.6767088695421386
Energy: 0.4075706695821672
Energy: 0.6767088695414095
Energy: 0.2910001429516957
Energy: 0.405111106215165
Energy: 0.29100014295242477
Energy: 0.4051111062086036
Energy: 0.29100014295315385
Energy: 0.4051111062107908
Energy: 0.2910751833207059
Energy: 0.3345660593058635
Energy: 0.2910751833207059
Energy: 0.33456605930513444
Energy: 0.2910751833207059
Energy: 0.33456605930513444
Energy: 0.4837016651514679
Energy: 0.4106916694676183
Energy: 0.483701665152197
Energy: 0.4106916694676183
Energy: 0.4837016651514679
Energy: 0.41069166946688923
Energy: 0.36577754275439095
Energy: 0.290750512065707
Energy: 0.36577754275366187
Energy: 0.33545598758463746
Energy: 0.3657775427551199
Energy: 0.290750512065707
Energy: 0.3364476671706342
Energy: 0.46915166663372093
Energy: 0.3364476671713632
Energy: 0.4691516666344499
Energy: 0.3364476671713632
Energy: 0.46915166663372093
Energy: 0.4067103919708062
Energy: 0.3575578225593884
Energy: 0.40671039197153525
Energy: 0.3575578225593884
Energy: 0.40671039197153525
Energy: 0.3575578225586593
Energy: 0.383370124863567
Energy: 0.3643812870342464
Energy: 0.29092638127773474
Energy: 0.3643812870342464
Energy: 0.38337012486210886
Energy: 0.36438128703497547
Energy: 0.680379592444935
Energy: 0.35780179928980393
Energy: 0.6803795923808118
Energy: 0.357140381130025
Energy: 0.6803795924070576
Energy: 0.3578017992890749
Energy: 0.40779574829773874
Energy: 0.5716069970629513
Energy: 0.40779574829773874
Energy: 0.5180646891968034
Energy: 0.40779574829700965
Energy: 0.5716069970629513
Energy: 0.36465444725007423
Energy: 0.335442431775808
Energy: 0.3646544472508033
Energy: 0.2907554045907645
Energy: 0.3646544472515323
Energy: 0.335442431775808
Energy: 0.4075706695821672
Energy: 0.6767088695414095
Energy: 0.4075706695821672
Energy: 0.6767088695421386
Energy: 0.4075706695821672
Energy: 0.6767088695399514
Energy: 0.29100014295242477
Energy: 0.40511110624866814
Energy: 0.29100014295242477
Energy: 0.40511110625304236
Energy: 0.29100014295315385
Energy: 0.40511110625522956
Energy: 0.29107518331997684
Energy: 0.33456605930513444
Energy: 0.2910751833207059
Energy: 0.33456605930440536
Energy: 0.29107518332143495
Energy: 0.33456605930513444
Energy: 0.4837016651514679
Energy: 0.4106916694676183
Energy: 0.48370166515292595
Energy: 0.4106916694676183
Energy: 0.483701665152197
Energy: 0.41069166946688923

minimum gb energy = 0.290750512065707 eV
minimum distance =  2.77938364909517 Angstroms
sigma value = 11


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

Energy: 0.5592092639145929
Energy: 0.591413520341284
Energy: 0.5592092639060484
Energy: 0.591413520341284
Energy: 0.559209263915127
Energy: 0.591413520341284
Energy: 0.6358299015426768
Energy: 0.5001877031396881
Energy: 0.6358299015421429
Energy: 0.5001877031402221
Energy: 0.6358299015410748
Energy: 0.5001877031402221
Energy: 0.5819741908363908
Energy: 0.7328642014582749
Energy: 0.5819741908363908
Energy: 0.7328642014806562
Energy: 0.5819741908363908
Energy: 0.7328642015046881
Energy: 0.6071527204529784
Energy: 0.5755139807680282
Energy: 0.607152720448172
Energy: 0.5755139807669601
Energy: 0.6071527204641932
Energy: 0.5755139807669601
Energy: 0.5226526302457916
Energy: 0.48611410412369055
Energy: 0.5226526302452575
Energy: 0.4861141041231565
Energy: 0.5226526302431214
Energy: 0.48611410412369055
Energy: 0.6055834032150722
Energy: 0.5416704719499765
Energy: 0.6055834032135187
Energy: 0.5416704719499765
Energy: 0.6055834032124505
Energy: 0.5416704719494424
Energy: 0.4984304275786452
Energy: 0.6311023974838665
Energy: 0.4984304415045825
Energy: 0.6311023974854688
Energy: 0.49843043014253513
Energy: 0.6311023974849347
Energy: 0.5405603664491804
Energy: 0.4837307893222791
Energy: 0.5405603664486462
Energy: 0.4837307893222791
Energy: 0.5405603664491804
Energy: 0.4837307893222791
Energy: 0.5077915765159831
Energy: 0.4716086085404393
Energy: 0.5077915765304023
Energy: 0.4716086085409733
Energy: 0.507791576514915
Energy: 0.47160860853937114
Energy: 0.5077966067513221
Energy: 0.6375788072038054
Energy: 0.5077966067507881
Energy: 0.6375788072000671
Energy: 0.5077966067507881
Energy: 0.6375788072043396
Energy: 0.666238037998412
Energy: 0.5942370354345584
Energy: 0.6662380380000141
Energy: 0.5942370354345584
Energy: 0.6662380379968098
Energy: 0.5942370354340243
Energy: 0.5118253682789696
Energy: 0.48815975225292335
Energy: 0.5118253682789696
Energy: 0.48815975225292335
Energy: 0.5118253682779016
Energy: 0.48815975225185526
Energy: 0.5678165787680365
Energy: 0.546453515383371
Energy: 0.5678165787696386
Energy: 0.546453515383371
Energy: 0.5678165787664343
Energy: 0.5464535153828368
Energy: 0.5647176228441861
Energy: 0.711511269246186
Energy: 0.5647176228441861
Energy: 0.7115112692750243
Energy: 0.5647176228441861
Energy: 0.7115112693444013
Energy: 0.6690260144536755
Energy: 0.5034694147483568
Energy: 0.6690260144536755
Energy: 0.5034694147483568
Energy: 0.6690260144542095
Energy: 0.5034694147483568
Energy: 0.5855714762779867
Energy: 0.5581757899613934
Energy: 0.5855714762779867
Energy: 0.5581757900275661
Energy: 0.5855714762737144
Energy: 0.5581757899496445
Energy: 0.5360595249754476
Energy: 0.5008175089852247
Energy: 0.5360595249754476
Energy: 0.5008175089846908
Energy: 0.5360595249754476
Energy: 0.5008175089852247
Energy: 0.603515890480856
Energy: 0.7165004056175122
Energy: 0.603515890480856
Energy: 0.7165004056180463
Energy: 0.60351589048139
Energy: 0.716500405616978
Energy: 0.6349822232032424
Energy: 0.582616720500302
Energy: 0.6349822232027084
Energy: 0.582616720500836
Energy: 0.6349822232032424
Energy: 0.58261672050137
Energy: 0.52179132313174
Energy: 0.5211835079683504
Energy: 0.5217913231328083
Energy: 0.5211835079694185
Energy: 0.5217913231312061
Energy: 0.5211835079694185
Energy: 0.499800050666992
Energy: 0.5417859698281379
Energy: 0.4998000506659239
Energy: 0.5417859698308081
Energy: 0.499800050666458
Energy: 0.541785969830274
Energy: 0.6046697919009667
Energy: 0.6271848052094883
Energy: 0.6046697919009667
Energy: 0.6271848052062842
Energy: 0.6046697919004327
Energy: 0.6271848052078861
Energy: 0.5508925788535204
Energy: 0.588183509758264
Energy: 0.5508925788535204
Energy: 0.5881835097577299
Energy: 0.5508925788540544
Energy: 0.5881835097571959
Energy: 0.5514861639600493
Energy: 0.4998183557228881
Energy: 0.5514861639611174
Energy: 0.4998183557228881
Energy: 0.5514861639611174
Energy: 0.4998183557234221
Energy: 0.4969898843343651
Energy: 0.6661316716638931
Energy: 0.49698988433329694
Energy: 0.666131671664427
Energy: 0.4969898843343651
Energy: 0.6661316716654951
Energy: 0.742783555546828
Energy: 0.6087177573233434
Energy: 0.7427835555500323
Energy: 0.6087177573228093
Energy: 0.742783555546828
Energy: 0.6087177573233434

minimum gb energy = 0.47160860853937114 eV
minimum distance =  2.5439898423578 Angstroms
sigma value = 41


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

Energy: 0.6451334462897915
Energy: 0.5135237803215505
Energy: 0.6451334462902124
Energy: 0.5135237803207088
Energy: 0.6451334462897915
Energy: 0.5135237803202878
Energy: 0.6536470794083892
Energy: 0.5441032586969784
Energy: 0.6536470794079683
Energy: 0.5441032586957156
Energy: 0.6536470794079683
Energy: 0.5441032586978203
Energy: 0.6403681227080514
Energy: 0.7766057669691345
Energy: 0.6403681227088932
Energy: 0.7766057669737646
Energy: 0.6403681227080514
Energy: 0.7766057669733437
Energy: 0.5872978914364704
Energy: 0.5191966586784061
Energy: 0.5872978914368913
Energy: 0.5191966586784061
Energy: 0.5872978914347866
Energy: 0.5191966586784061
Energy: 0.4914499091469966
Energy: 0.5215563847095201
Energy: 0.4914499091469966
Energy: 0.5215563847095201
Energy: 0.4914499091474175
Energy: 0.5215563847090992
Energy: 0.6573848692618477
Energy: 0.6012506378399154
Energy: 0.6573848692450303
Energy: 0.6012506378394945
Energy: 0.6573848692761589
Energy: 0.6012506378399154
Energy: 0.5744621971866882
Energy: 0.6610060421013889
Energy: 0.5744621971879509
Energy: 0.66100604210181
Energy: 0.5744621971866882
Energy: 0.6610060421026517
Energy: 0.5479866776861579
Energy: 0.5116851753862282
Energy: 0.5479866776865788
Energy: 0.51168517538244
Energy: 0.5479866776865788
Energy: 0.5116851753887537
Energy: 0.5059898079691251
Energy: 0.5471236517353764
Energy: 0.5059898079691251
Energy: 0.5471236517357972
Energy: 0.5059898079691251
Energy: 0.5471236517353764
Energy: 0.6070229319658716
Energy: 0.6625167069062207
Energy: 0.6070229319637672
Energy: 0.6625167069057997
Energy: 0.60702293196503
Energy: 0.6625167069074834
Energy: 0.6069976181138943
Energy: 0.6563103749096654
Energy: 0.6069976181117896
Energy: 0.6563103749100863
Energy: 0.606997618110106
Energy: 0.6563103749105073
Energy: 0.5405171571244103
Energy: 0.549999867048555
Energy: 0.5405171571248313
Energy: 0.5499998670464504
Energy: 0.5405171571244103
Energy: 0.5330573445035456
Energy: 0.5195394660192911
Energy: 0.5049836766396824
Energy: 0.5195394660192911
Energy: 0.504983676641787
Energy: 0.5195394660192911
Energy: 0.5049836766430497
Energy: 0.526350098148709
Energy: 0.7313707024956544
Energy: 0.5263500981499718
Energy: 0.7313707024948125
Energy: 0.5263500981491299
Energy: 0.7313707024952336
Energy: 0.7124393391833729
Energy: 0.6044488502133084
Energy: 0.7124393391816892
Energy: 0.6044488502133084
Energy: 0.7124393391800056
Energy: 0.6044488502128875
Energy: 0.5129092959173118
Energy: 0.5708830443150723
Energy: 0.5129092959173118
Energy: 0.5908923770777992
Energy: 0.5129092959173118
Energy: 0.5555029904601668
Energy: 0.5284778649451997
Energy: 0.5078400144975297
Energy: 0.5284778649574061
Energy: 0.5078400144971087
Energy: 0.5284778649662263
Energy: 0.5078400144975297
Energy: 0.550414320662445
Energy: 0.7673003140617607
Energy: 0.5504143206620241
Energy: 0.7673003140617607
Energy: 0.5504143206620241
Energy: 0.7673003140617607
Energy: 0.6663746203921846
Energy: 0.5415027016250188
Energy: 0.6663746203926056
Energy: 0.5415027016250188
Energy: 0.6663746203930265
Energy: 0.5415027016250188
Energy: 0.6073830678289847
Energy: 0.5539027346851255
Energy: 0.6073830678294054
Energy: 0.5855293266457622
Energy: 0.6073830678289847
Energy: 0.5539027346855465
Energy: 0.5124352006116228
Energy: 0.5622546903537119
Energy: 0.5124352006116228
Energy: 0.5622546903537119
Energy: 0.512435200611202
Energy: 0.5622546903537119
Energy: 0.6387670843941718
Energy: 0.7637721999904707
Energy: 0.6387670843950136
Energy: 0.763772199824687
Energy: 0.6387670843916464
Energy: 0.7637721999517656
Energy: 0.5875993062971848
Energy: 0.5310043768598102
Energy: 0.5875993062984476
Energy: 0.5310043768606519
Energy: 0.5875993062963429
Energy: 0.5310043768606519
Energy: 0.49976371798657393
Energy: 0.5615021662726913
Energy: 0.49976371798657393
Energy: 0.5615021662718495
Energy: 0.49976371798657393
Energy: 0.5615021662726913
Energy: 0.5155729729166718
Energy: 0.5510032935648164
Energy: 0.5155729729170928
Energy: 0.5510032935643955
Energy: 0.5155729729166718
Energy: 0.5510032935643955
Energy: 0.5841719285710744
Energy: 0.6976609039894177
Energy: 0.5841719285689697
Energy: 0.6976609039911014
Energy: 0.5841719285693906
Energy: 0.6976609039898386
Energy: 0.5507384755460335
Energy: 0.5178518835138833
Energy: 0.5507384755456127
Energy: 0.5178511956900952
Energy: 0.5507384755426662
Energy: 0.5178513424750498
Energy: 0.506931961399115
Energy: 0.5764382867801002
Energy: 0.5069319613986941
Energy: 0.5764382867838885
Energy: 0.5069319613986941
Energy: 0.5764382867796795
Energy: 0.607733895480757
Energy: 0.5641267228456929
Energy: 0.607733895481178
Energy: 0.5641267228469555
Energy: 0.6077338954799152
Energy: 0.5641267228465346
Energy: 0.7454764609125973
Energy: 0.6426752077184658
Energy: 0.7454764609113347
Energy: 0.6426752077197285
Energy: 0.7454764609117556
Energy: 0.6426752077180448
Energy: 0.5389676527958028
Energy: 0.5260526495729186
Energy: 0.5389676534041803
Energy: 0.5260526495729186
Energy: 0.5389676520195565
Energy: 0.526052649576286
Energy: 0.5229475420032513
Energy: 0.5021391296133859
Energy: 0.5229475420032513
Energy: 0.5021391296133859
Energy: 0.5229475420036722
Energy: 0.5021391296133859
Energy: 0.49358844907823823
Energy: 0.5548398588236727
Energy: 0.49358844907655464
Energy: 0.5548398588169381
Energy: 0.49358844907655464
Energy: 0.5548398588232518

minimum gb energy = 0.4914499091469966 eV
minimum distance =  2.62518494609185 Angstroms
sigma value = 33


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

Energy: 0.5364242113597038
Energy: 0.5311008608140686
Energy: 0.536424211359113
Energy: 0.5311008608143639
Energy: 0.5364242113588176
Energy: 0.5311008608143639
Energy: 0.7082836896909301
Energy: 0.48617518520918074
Energy: 0.7082836896912256
Energy: 0.4861751852094761
Energy: 0.7082836896927025
Energy: 0.4861751852088853
Energy: 0.6803756392854183
Energy: 0.8043601264984697
Energy: 0.6803756392851229
Energy: 0.8043601264987651
Energy: 0.6803756392848276
Energy: 0.8043601264990605
Energy: 0.6302354980050263
Energy: 0.5142710499586463
Energy: 0.6302354980035494
Energy: 0.5142710499595325
Energy: 0.6302354980065034
Energy: 0.5142710499441984
Energy: 0.5170411882380367
Energy: 0.6143508079341705
Energy: 0.5170411882377413
Energy: 0.6143508079332842
Energy: 0.5170411882380367
Energy: 0.6143508079338751
Energy: 0.6129389873180802
Energy: 0.5785190837955728
Energy: 0.6129389873180802
Energy: 0.5785191039357708
Energy: 0.6129389873186709
Energy: 0.5785191213589024
Energy: 0.5360576354322062
Energy: 0.7870046881605091
Energy: 0.536057635429843
Energy: 0.7870046881610999
Energy: 0.5360576354307292
Energy: 0.7870046881602137
Energy: 0.6029837036723322
Energy: 0.6046941644882814
Energy: 0.6029837036720368
Energy: 0.6046941644879861
Energy: 0.6029837036717414
Energy: 0.6046941644876906
Energy: 0.6582361422075278
Energy: 0.536881036231919
Energy: 0.6582361422072324
Energy: 0.5368810362316235
Energy: 0.658236142206937
Energy: 0.5368810362316235
Energy: 0.7908607565457988
Energy: 0.5012852758969403
Energy: 0.7908607565457988
Energy: 0.5012852758972357
Energy: 0.7908607565460942
Energy: 0.5012852758972357
Energy: 0.683254948605195
Energy: 0.6810488070318262
Energy: 0.6832549486048995
Energy: 0.6810488070297585
Energy: 0.6832549486048995
Energy: 0.6810488070306445
Energy: 0.6150604148928177
Energy: 0.520743566753644
Energy: 0.6150604148925224
Energy: 0.5207435661454085
Energy: 0.6150604148925224
Energy: 0.5207435667477628
Energy: 0.5381896102967704
Energy: 0.6313146597525998
Energy: 0.5381896102967704
Energy: 0.631314659754963
Energy: 0.5381896102970658
Energy: 0.6313146597531906
Energy: 0.6054393859598143
Energy: 0.5742315362315863
Energy: 0.6054393859595188
Energy: 0.5742311877879405
Energy: 0.6054393859607006
Energy: 0.5742311862044175
Energy: 0.6070452728181333
Energy: 0.5342378398351872
Energy: 0.6070452745372196
Energy: 0.5342378398354827
Energy: 0.6070452745106333
Energy: 0.5342378398354827
Energy: 0.5832784912084915
Energy: 0.6123218579091061
Energy: 0.5832784912079008
Energy: 0.6123218579099924
Energy: 0.583278491208787
Energy: 0.6123218579114426
Energy: 0.6148639921017137
Energy: 0.5161215422087146
Energy: 0.6148639921028953
Energy: 0.5161215422084191
Energy: 0.614863992101123
Energy: 0.5161215422087146
Energy: 0.5344650792846175
Energy: 0.5582219502956635
Energy: 0.5344650790383585
Energy: 0.5582219502959589
Energy: 0.5344650792666247
Energy: 0.5582219502959589
Energy: 0.7880083032490351
Energy: 0.6801667927923029
Energy: 0.7880083032472627
Energy: 0.6801667927923029
Energy: 0.7880083032478534
Energy: 0.6801667927923029
Energy: 0.6279408131880502
Energy: 0.5306324470369687
Energy: 0.6279408131874594
Energy: 0.5306324470372641
Energy: 0.6279408131877547
Energy: 0.5306324470369687
Energy: 0.5166070940894337
Energy: 0.5366334255440615
Energy: 0.5166070940537167
Energy: 0.5366334255449476
Energy: 0.516607094065533
Energy: 0.5366334255440615
Energy: 0.48500274825595174
Energy: 0.7149305562754896
Energy: 0.4850027482565425
Energy: 0.7149305562754896
Energy: 0.4850027482556563
Energy: 0.7149305562757852
Energy: 0.7798606719010409
Energy: 0.5661047125904135
Energy: 0.7798606719010409
Energy: 0.5661047125910043
Energy: 0.7798606719010409
Energy: 0.5661047125907089
Energy: 0.5339138360172984
Energy: 0.6329549770979035
Energy: 0.5339138360175938
Energy: 0.632954977098199
Energy: 0.533913836017003
Energy: 0.632954977098199
Energy: 0.6531842705210019
Energy: 0.5059680440637969
Energy: 0.6531842705357721
Energy: 0.505968044031598
Energy: 0.6531842705218882
Energy: 0.5059680440729545
Energy: 0.6155356311728164
Energy: 0.6134387662182282
Energy: 0.6155356311722254
Energy: 0.6134387662197053
Energy: 0.6155356311737025
Energy: 0.6134387662191144
Energy: 0.7153360671006402
Energy: 0.5351111742113555
Energy: 0.7153360670997541
Energy: 0.5351111742098784
Energy: 0.7153360670997541
Energy: 0.535111174209583
Energy: 0.5425319895648564
Energy: 0.5224544003739452
Energy: 0.5425319895704691
Energy: 0.5224544003816257
Energy: 0.5425319895684012
Energy: 0.5224544003751268
Energy: 0.5308184341386261
Energy: 0.631295093431035
Energy: 0.5308184341386261
Energy: 0.6312950934201318
Energy: 0.5308184341386261
Energy: 0.6312950934177686
Energy: 0.5622479507336888
Energy: 0.7890121568674457
Energy: 0.5622479507339844
Energy: 0.7890121568671503
Energy: 0.5622479507336888
Energy: 0.789012156866855
Energy: 0.5508921071924696
Energy: 0.6122279805961648
Energy: 0.5508921071945374
Energy: 0.6122279805961648
Energy: 0.5508921071930604
Energy: 0.6122279805958694
Energy: 0.509359607271784
Energy: 0.6169827082523278
Energy: 0.509359607348562
Energy: 0.616982708252623
Energy: 0.5093596072520188
Energy: 0.6169827082529186
Energy: 0.6261791796515873
Energy: 0.57732321747422
Energy: 0.6261791796512919
Energy: 0.5773232174748109
Energy: 0.6261791796509966
Energy: 0.5773232174751062
Energy: 0.6848558178058165
Energy: 0.6062176990301225
Energy: 0.6848558178046348
Energy: 0.6062176990295317
Energy: 0.6848558178067027
Energy: 0.6062176990295317
Energy: 0.6847927966661265
Energy: 0.6062268985338681
Energy: 0.6847927966664218
Energy: 0.606226898534459
Energy: 0.6847927966664218
Energy: 0.606226898534459
Energy: 0.6280348596278718
Energy: 0.5824902850801557
Energy: 0.6280348596284627
Energy: 0.5824902850798602
Energy: 0.6280348596284627
Energy: 0.5824902850801557
Energy: 0.5314082313270465
Energy: 0.6169646117975708
Energy: 0.5314082313270465
Energy: 0.6169646117963892
Energy: 0.5314082313270465
Energy: 0.6169646117975708
Energy: 0.5894536504493775
Energy: 0.5453843331573804
Energy: 0.5894536504668063
Energy: 0.5453843106266444
Energy: 0.5894536504860075
Energy: 0.5453842833417134
Energy: 0.5626011681845281
Energy: 0.7851840131839547
Energy: 0.5626011681842328
Energy: 0.7851840131830686
Energy: 0.5626011681848235
Energy: 0.7851840131839547
Energy: 0.5304398862763703
Energy: 0.6315095509812605
Energy: 0.5304398862757794
Energy: 0.6315095509803742
Energy: 0.5304398862751887
Energy: 0.6315095509806696
Energy: 0.5403331194143964
Energy: 0.5398990909142748
Energy: 0.5403331194111469
Energy: 0.5398990909142748
Energy: 0.5403331194114425
Energy: 0.5398990909139794
Energy: 0.7148209421484658
Energy: 0.5337415605006325
Energy: 0.7148209421475795
Energy: 0.5337415605756382
Energy: 0.7148209421466934
Energy: 0.5337415605552553
Energy: 0.6156462275180921
Energy: 0.6132399687399726
Energy: 0.6156462275177966
Energy: 0.6132399687399726
Energy: 0.6156462275177966
Energy: 0.6132399687402679
Energy: 0.640908973522243
Energy: 0.516526797470459
Energy: 0.6409089735225383
Energy: 0.5165267974707544
Energy: 0.6409089735302188
Energy: 0.516526797470459
Energy: 0.5280875286728376
Energy: 0.628348611986255
Energy: 0.5280875286728376
Energy: 0.6283486119859596
Energy: 0.5280875286728376
Energy: 0.6283486119853688
Energy: 0.7794280789245897
Energy: 0.5660675537702559
Energy: 0.7794280789432001
Energy: 0.5660675537699604
Energy: 0.7794280789254758
Energy: 0.5660675537699604
Energy: 0.4850427269046977
Energy: 0.7244697759097142
Energy: 0.4850427269046977
Energy: 0.7244697759097142
Energy: 0.48504272690499317
Energy: 0.7244697759097142

minimum gb energy = 0.4850027482556563 eV
minimum distance =  2.671246886297 Angstroms
sigma value = 67


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

Energy: 0.555482305950357
Energy: 0.47232596971066615
Energy: 0.5554823059505589
Energy: 0.47232596971084573
Energy: 0.5554823059505589
Energy: 0.47232596971084573
Energy: 0.47410357532652375
Energy: 0.3895244178590656
Energy: 0.47410357532634423
Energy: 0.3895244178454476
Energy: 0.47410357532634423
Energy: 0.3895244178395248
Energy: 0.6184808452906698
Energy: 0.8456798014064557
Energy: 0.6184808452900865
Energy: 0.8456798014066352
Energy: 0.6184808452904679
Energy: 0.8456798014066352
Energy: 0.4754047616164219
Energy: 0.3904337344015318
Energy: 0.47540476161622003
Energy: 0.39043373440173373
Energy: 0.47540476161622003
Energy: 0.3904337344021375
Energy: 0.5554823059501774
Energy: 0.4723259697100604
Energy: 0.5554823059505589
Energy: 0.47232596971026236
Energy: 0.555482305950357
Energy: 0.47232596971026236
Energy: 0.47410357532652375
Energy: 0.3895244178324128
Energy: 0.47410357532634423
Energy: 0.3895244177907736
Energy: 0.47410357532614233
Energy: 0.38952441784861086
Energy: 0.5613085454836786
Energy: 0.8456798014068372
Energy: 0.5613085454834768
Energy: 0.8456798014066352
Energy: 0.5613085454832748
Energy: 0.8456798014068372

minimum gb energy = 0.3895244177907736 eV
minimum distance =  2.68232232146137 Angstroms
sigma value = 3


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

Energy: 0.6844911567457855
Energy: 0.5944388209654622
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Energy: 0.703146369301649
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Energy: 0.7348845134596863
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Energy: 0.734884513461054
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Energy: 0.6180887554569523
Energy: 0.6441818431900076
Energy: 0.6180803559373785
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Energy: 0.6180887554591016
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Energy: 0.7209463837339853
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Energy: 0.7209463837393586
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Energy: 0.5866270280078285
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Energy: 0.7375820731084873
Energy: 0.5866270280086591
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Energy: 0.6332117444370627
Energy: 0.5925403284146203
Energy: 0.6332117444370627
Energy: 0.5925403284138387
Energy: 0.633211744435988
Energy: 0.5925403284151577
Energy: 0.6605311192472814
Energy: 0.5867904099627571
Energy: 0.660531119248356
Energy: 0.5867904099649064
Energy: 0.6605311192472814
Energy: 0.5867904099632942
Energy: 0.7371503946647859
Energy: 0.6395819375888462
Energy: 0.737150394666691
Energy: 0.6395819376565496
Energy: 0.7371503946669352
Energy: 0.6395819375566064
Energy: 0.5645103809849281
Energy: 0.6649235251910407
Energy: 0.5647380211138365
Energy: 0.6649235250922211
Energy: 0.5645103809827787
Energy: 0.6649235254555531
Energy: 0.6181967731754653
Energy: 0.6005156572233971
Energy: 0.6181967731743906
Energy: 0.6005156572239344
Energy: 0.618196773173316
Energy: 0.6005156572242274
Energy: 0.6174927140321744
Energy: 0.5963632891719078
Energy: 0.6174927140343237
Energy: 0.5963632891726893
Energy: 0.6174927140337864
Energy: 0.5963632891724451
Energy: 0.6883805947618673
Energy: 0.7087837810770302
Energy: 0.6883805947640167
Energy: 0.708783781076786
Energy: 0.68838059476133
Energy: 0.708783781076786
Energy: 0.6318088317831212
Energy: 0.6739913854884027
Energy: 0.6342651782923084
Energy: 0.6739913854864977
Energy: 0.6318088317836585
Energy: 0.6739913854848856

minimum gb energy = 0.559385297567985 eV
minimum distance =  2.49101984093039 Angstroms
sigma value = 81


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

Energy: 0.6389195584382301
Energy: 0.6192507232251501
Energy: 0.6128013255350917
Energy: 0.6192507232251501
Energy: 0.6389195584382301
Energy: 0.6192507232247814
Energy: 0.5178551399692292
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Energy: 0.6274832136098343
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Energy: 0.6500996077029163
Energy: 0.6752076056062232
Energy: 0.6365466560071344
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Energy: 0.6500996077025476
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Energy: 0.5845287877233488
Energy: 0.6411687875905316
Energy: 0.5845287877229801
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Energy: 0.5791625051689421
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Energy: 0.648719154705909
Energy: 0.645804923129603
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Energy: 0.5172183116477622
Energy: 0.5898630105732555
Energy: 0.5172183116717302
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Energy: 0.6736650535854948
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Energy: 0.6786536677259594
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Energy: 0.6132920325801117
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Energy: 0.7007610385730574
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Energy: 0.5247385417146435
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Energy: 0.6583878765995564
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Energy: 0.6222675708970018
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Energy: 0.698354873803436
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Energy: 0.6983548738005197
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Energy: 0.5139039657780965
Energy: 0.580969021373792
Energy: 0.5139039657788339
Energy: 0.5809690213734232
Energy: 0.5139039657784653
Energy: 0.5809690213741607
Energy: 0.6297641923294525
Energy: 0.6101773346317861
Energy: 0.6297641923287151
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Energy: 0.6297641923290838
Energy: 0.6101773346317861
Energy: 0.641000133875226
Energy: 0.518459864100164
Energy: 0.6187528369386884
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Energy: 0.6410001338774385
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Energy: 0.6741883676361811
Energy: 0.6118849618078156
Energy: 0.6741883676365499
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Energy: 0.6741883676369186
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Energy: 0.6410611503786409
Energy: 0.675286515739188
Energy: 0.641061150378272
Energy: 0.6752865157329194
Energy: 0.6410611503793784
Energy: 0.6752865157332882
Energy: 0.5216688978979866
Energy: 0.596781898277608
Energy: 0.5216710630240549
Energy: 0.5967818982798204
Energy: 0.5216687949225713
Energy: 0.5967818982658083
Energy: 0.6147970437159777
Energy: 0.597603967749972
Energy: 0.6147970437167152
Energy: 0.5976039677503409
Energy: 0.6147970437159777
Energy: 0.5976039677510783
Energy: 0.6441446516362105
Energy: 0.651766615245435
Energy: 0.6441446516358417
Energy: 0.6517666152450663
Energy: 0.6441446516358417
Energy: 0.6517666152446975
Energy: 0.5886921027167862
Energy: 0.7372140172203411
Energy: 0.5888157447590298
Energy: 0.7372140172207097
Energy: 0.5886921027171548
Energy: 0.7372140172225535
Energy: 0.6255073462373182
Energy: 0.6280484565294463
Energy: 0.6255073462373182
Energy: 0.6280484565294463
Energy: 0.6255073462373182
Energy: 0.6280484565301504
Energy: 0.6185811597431523
Energy: 0.6914022440502154
Energy: 0.6185811597427835
Energy: 0.6914022440502154
Energy: 0.6185811597427835
Energy: 0.6914022440498468
Energy: 0.6604011519897587
Energy: 0.6442305110311706
Energy: 0.6604011519893899
Energy: 0.6442305110315393
Energy: 0.6604011519897587
Energy: 0.6442305110304332

minimum gb energy = 0.5118834838651932 eV
minimum distance =  2.53645076611435 Angstroms
sigma value = 43


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

Energy: 0.6493947810623849
Energy: 0.5668000817739227
Energy: 0.649394781061932
Energy: 0.566800081771658
Energy: 0.6493947810623849
Energy: 0.5668000817693933
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Energy: 0.6977777765819918
Energy: 0.5758563883318213
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Energy: 0.5924960692882846
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Energy: 0.6390504855918966
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Energy: 0.7767290737539327
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Energy: 0.6159281450155583
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Energy: 0.5941311997407558
Energy: 0.6989911773548093
Energy: 0.5941311997403027
Energy: 0.6989911773543563
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Energy: 0.7097067251346224
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Energy: 0.7097067251468309
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Energy: 0.7097067251355078
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Energy: 0.625701904565334
Energy: 0.607425073461078
Energy: 0.625701904565334
Energy: 0.607425073448396
Energy: 0.6257019045648812
Energy: 0.6074250734918566
Energy: 0.5983654296529125
Energy: 0.6005450452753195
Energy: 0.59836542965563
Energy: 0.6005450452753195
Energy: 0.5983654296520066
Energy: 0.6005450452757725
Energy: 0.7269727896469661
Energy: 0.6043908787387241
Energy: 0.7269727896469661
Energy: 0.6043908787382712
Energy: 0.7269727896469661
Energy: 0.6043908787387241
Energy: 0.7325100808205514
Energy: 0.5949452038954111
Energy: 0.7325100808205514
Energy: 0.594945203895864
Energy: 0.7325100808205514
Energy: 0.5949452038954111
Energy: 0.6131110377383344
Energy: 0.6059994294176007
Energy: 0.6131110377360698
Energy: 0.6059994294180537
Energy: 0.6131110377301817
Energy: 0.6059994294176007
Energy: 0.6183275511085992
Energy: 0.6165451492692798
Energy: 0.6183275511081462
Energy: 0.6165451492719973
Energy: 0.6183275511081462
Energy: 0.616545149267921
Energy: 0.6856837128677994
Energy: 0.5581947800955902
Energy: 0.6856837128682524
Energy: 0.5581947800955902
Energy: 0.6856837128682524
Energy: 0.5581947800955902
Energy: 0.5831438546595805
Energy: 0.6327081346552156
Energy: 0.5831438546604865
Energy: 0.6327081346543096
Energy: 0.5831438546600335
Energy: 0.6327081346552156
Energy: 0.5991595921212692
Energy: 0.631967098894575
Energy: 0.5991595921217222
Energy: 0.6319670988941222
Energy: 0.5991595921208164
Energy: 0.631967098894575
Energy: 0.6133511510237164
Energy: 0.581184958681949
Energy: 0.6133511510232634
Energy: 0.5811849586873841
Energy: 0.6133511510237164
Energy: 0.5811849586570583
Energy: 0.7070680307403019
Energy: 0.5934636731959206
Energy: 0.7070680307403019
Energy: 0.5934636731959206
Energy: 0.7070680307403019
Energy: 0.5934636731963736
Energy: 0.5670294230592361
Energy: 0.6296896616929767
Energy: 0.5670294230592361
Energy: 0.6296896616929767
Energy: 0.5670294230592361
Energy: 0.6296896616934295
Energy: 0.6207152149589118
Energy: 0.6106487831472416
Energy: 0.6207152149589118
Energy: 0.6106487831472416
Energy: 0.6207152149589118
Energy: 0.6106487831472416
Energy: 0.6118159485245843
Energy: 0.5521269113560866
Energy: 0.6118159485241313
Energy: 0.5521269113556337
Energy: 0.6118159485295666
Energy: 0.5521269113547277
Energy: 0.6928898251539388
Energy: 0.6719046587955194
Energy: 0.6928898251539388
Energy: 0.671904658804578
Energy: 0.6928898251539388
Energy: 0.6719046587959722
Energy: 0.5709358993272041
Energy: 0.6353281975964875
Energy: 0.5709358993272041
Energy: 0.6353281975964875
Energy: 0.5709358993272041
Energy: 0.6353281975964875

minimum gb energy = 0.5521269113547277 eV
minimum distance =  2.51355815577082 Angstroms
sigma value = 57


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

Energy: 0.6122061642359317
Energy: 0.574654932390747
Energy: 0.6122061642359317
Energy: 0.574654932390747
Energy: 0.6122061642359317
Energy: 0.574654932390747
Energy: 0.5876935523287081
Energy: 0.5582023666361295
Energy: 0.5876935523287081
Energy: 0.5582023666349566
Energy: 0.5876935523287081
Energy: 0.558202366636716
Energy: 0.5651509499558234
Energy: 0.6627575513952665
Energy: 0.5651509499558234
Energy: 0.6627575513952665
Energy: 0.56515094995641
Energy: 0.6627575513952665
Energy: 0.7085326096166895
Energy: 0.5893149340643389
Energy: 0.7085326096166895
Energy: 0.5893149340643389
Energy: 0.7085326096166895
Energy: 0.5893149340643389
Energy: 0.6791206923980398
Energy: 0.5961335661279267
Energy: 0.6791206923980398
Energy: 0.5961335661279267
Energy: 0.6791206923980398
Energy: 0.5961335661279267
Energy: 0.560443144409423
Energy: 0.6366444725713981
Energy: 0.560443144409423
Energy: 0.6366444725713981
Energy: 0.5604431444100094
Energy: 0.6366444725713981
Energy: 0.595728763418391
Energy: 0.6184494673749568
Energy: 0.595728763418391
Energy: 0.6184494673755431
Energy: 0.5957287634178046
Energy: 0.6184494673737838
Energy: 0.6109110670906804
Energy: 0.5534509153959047
Energy: 0.6109110670906804
Energy: 0.5534509153959047
Energy: 0.6109110670900941
Energy: 0.5534509153959047
Energy: 0.6356340976415837
Energy: 0.5859624452773794
Energy: 0.63563409764217
Energy: 0.5859624452779658
Energy: 0.6356340976415837
Energy: 0.5859624452773794
Energy: 0.5907603947010837
Energy: 0.5790997902809818
Energy: 0.5907603947004973
Energy: 0.5790997902815682
Energy: 0.5907603947010837
Energy: 0.5790997902803954
Energy: 0.6800705110513087
Energy: 0.6237103879697469
Energy: 0.6800705110489629
Energy: 0.6237103879697469
Energy: 0.6800705110495493
Energy: 0.6237103879697469
Energy: 0.6545451725550055
Energy: 0.5903380506158514
Energy: 0.6545451725585242
Energy: 0.5903380506158514
Energy: 0.6545451725561784
Energy: 0.5903380506158514
Energy: 0.5452707578754064
Energy: 0.5966537902795284
Energy: 0.5452707578754064
Energy: 0.5966537902795284
Energy: 0.5452707578754064
Energy: 0.5966537902795284
Energy: 0.6902071931743629
Energy: 0.5471429536953137
Energy: 0.6902071931737763
Energy: 0.5471429536959002
Energy: 0.6902071931743629
Energy: 0.5471429536935544
Energy: 0.6774710301399858
Energy: 0.5530385366515119
Energy: 0.6774710301399858
Energy: 0.5530385366515119
Energy: 0.6774710301399858
Energy: 0.5530385366515119
Energy: 0.6735343839336154
Energy: 0.5958917916833196
Energy: 0.6735343839336154
Energy: 0.5958917916833196
Energy: 0.6735343839336154
Energy: 0.5958917916833196
Energy: 0.4745597373237834
Energy: 0.5571994822691342
Energy: 0.4745597373237834
Energy: 0.5571994822544729
Energy: 0.4745597373237834
Energy: 0.557199481977217
Energy: 0.6364012411901416
Energy: 0.5232357918938234
Energy: 0.6364012411895551
Energy: 0.5232357918697791
Energy: 0.6364012411895551
Energy: 0.5232357919500956
Energy: 0.4745486304491932
Energy: 0.5979525852587922
Energy: 0.4745486304491932
Energy: 0.5979525852587922
Energy: 0.4745486304491932
Energy: 0.5979525852587922
Energy: 0.652397200814169
Energy: 0.5968709576972908
Energy: 0.652397200814169
Energy: 0.5968709576972908
Energy: 0.652397200814169
Energy: 0.5968709576972908
Energy: 0.6806474808239681
Energy: 0.5426806309127958
Energy: 0.6806474808239681
Energy: 0.5426806309139687
Energy: 0.6806474808233816
Energy: 0.5426806309133823
Energy: 0.6901528848142401
Energy: 0.5919154214139547
Energy: 0.6901528848136538
Energy: 0.5919154214139547
Energy: 0.6901528848142401
Energy: 0.5919154214139547
Energy: 0.5413222755871451
Energy: 0.585670968172503
Energy: 0.5413222755871451
Energy: 0.5856709681719164
Energy: 0.5413222755871451
Energy: 0.5856709681719164
Energy: 0.6592705648182637
Energy: 0.5905483891573962
Energy: 0.6592705648147451
Energy: 0.5905483891573962
Energy: 0.659270564815918
Energy: 0.5905483891573962

minimum gb energy = 0.4745486304491932 eV
minimum distance =  2.56937990206366 Angstroms
sigma value = 17


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

Energy: 0.6307141745822725
Energy: 0.5712937849162775
Energy: 0.6307141745814431
Energy: 0.5712937849162775
Energy: 0.6307141745822725
Energy: 0.5712937849162775
Energy: 0.551956022572795
Energy: 0.5917791829713692
Energy: 0.551956022575283
Energy: 0.5917791829713692
Energy: 0.551956022572795
Energy: 0.5917791829738572
Energy: 0.5225430971351716
Energy: 0.6047929004419389
Energy: 0.5225430971359821
Energy: 0.6047929004452564
Energy: 0.5225430971359821
Energy: 0.6047929004419389
Energy: 0.590446764018986
Energy: 0.5948594375152468
Energy: 0.5904467640198153
Energy: 0.5948594374945316
Energy: 0.5904467640198153
Energy: 0.5948594375152468
Energy: 0.5941988697716334
Energy: 0.6034369115269995
Energy: 0.5941988697716334
Energy: 0.6034369115269995
Energy: 0.5941988697716334
Energy: 0.6034369115269995
Energy: 0.5773229867738553
Energy: 0.6279638018502879
Energy: 0.5773229867746846
Energy: 0.627963801859392
Energy: 0.5773229867746846
Energy: 0.6279638018511172
Energy: 0.6423063591575658
Energy: 0.6033303005349354
Energy: 0.6423063591559071
Energy: 0.6033303005349354
Energy: 0.6423063591575658
Energy: 0.6033303005357648
Energy: 0.5935809601269636
Energy: 0.5999563448820117
Energy: 0.5935809601269636
Energy: 0.5999563448820117
Energy: 0.5935809601269636
Energy: 0.599956344882841
Energy: 0.5084892495380526
Energy: 0.5987523524040548
Energy: 0.5084892495380526
Energy: 0.598752352407372
Energy: 0.5084892495380526
Energy: 0.5987523524065427
Energy: 0.6110343696786299
Energy: 0.5920522151900783
Energy: 0.6110343696786299
Energy: 0.5920522151900783
Energy: 0.6110343696778193
Energy: 0.5920522151900783
Energy: 0.6287188694372464
Energy: 0.5542531511977113
Energy: 0.6287188694372464
Energy: 0.5542531511977113
Energy: 0.6287188694380758
Energy: 0.5542531511977113
Energy: 0.5824318386092474
Energy: 0.5978153222235657
Energy: 0.5824318386092474
Energy: 0.5978153222235657
Energy: 0.5824318386092474
Energy: 0.5978153222235657
Energy: 0.5329089447577812
Energy: 0.6119376754395742
Energy: 0.5329089447594397
Energy: 0.6119376754404036
Energy: 0.5329089447635866
Energy: 0.6119376754395742
Energy: 0.6596871637344127
Energy: 0.5300726984981238
Energy: 0.6596871637352422
Energy: 0.5300726984981238
Energy: 0.6596871637344127
Energy: 0.5300726984981238
Energy: 0.596458747539352
Energy: 0.6047998413711604
Energy: 0.596458747539352
Energy: 0.6047998413711604
Energy: 0.596458747539352
Energy: 0.6047998413711604
Energy: 0.5975526724388234
Energy: 0.6391553883981684
Energy: 0.5975526724388234
Energy: 0.6391553883981684
Energy: 0.5975526724388234
Energy: 0.6391553883981684
Energy: 0.5692505764263311
Energy: 0.529652164273524
Energy: 0.5692505764263311
Energy: 0.529652164273524
Energy: 0.5692505764271605
Energy: 0.529652164273524

minimum gb energy = 0.5084892495380526 eV
minimum distance =  2.6369812615709 Angstroms
sigma value = 17


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

Energy: 0.6051204418511421
Energy: 0.4939162720781173
Energy: 0.6051204418508218
Energy: 0.49391627209541183
Energy: 0.6051204418514623
Energy: 0.4939162720931699
Energy: 0.5345882037051387
Energy: 0.5749367089225715
Energy: 0.5345882037038576
Energy: 0.5687963411337781
Energy: 0.5345882037044981
Energy: 0.5749367089209703
Energy: 0.4931266929278279
Energy: 0.5649840362079714
Energy: 0.4931266929278279
Energy: 0.5649840362076511
Energy: 0.4931266929278279
Energy: 0.5649840362076511
Energy: 0.5692446779686853
Energy: 0.5122876855382634
Energy: 0.5692446779690056
Energy: 0.5122876855379431
Energy: 0.5692446779693259
Energy: 0.5122876855382634
Energy: 0.5942016915219155
Energy: 0.6143711307840716
Energy: 0.594201691522556
Energy: 0.6143711307840716
Energy: 0.5942016915222357
Energy: 0.6143711307840716
Energy: 0.4873243247091096
Energy: 0.5136779509494372
Energy: 0.48732432470942993
Energy: 0.5136779509484766
Energy: 0.4873243247087894
Energy: 0.5136779509487968
Energy: 0.6345820292458361
Energy: 0.5330698446605698
Energy: 0.6345820292458361
Energy: 0.5330698446570469
Energy: 0.6345820292461564
Energy: 0.5330698446618509
Energy: 0.5833936079039999
Energy: 0.5643718781970072
Energy: 0.5833936079039999
Energy: 0.5643718781973275
Energy: 0.5833936079036796
Energy: 0.5643718781970072
Energy: 0.5409778506213139
Energy: 0.6500934309890182
Energy: 0.5409778506219545
Energy: 0.6500934309890182
Energy: 0.5409778506213139
Energy: 0.6500934309886979
Energy: 0.5787541913741062
Energy: 0.4895668933756548
Energy: 0.5787541913865967
Energy: 0.48956689337437376
Energy: 0.5787541913712239
Energy: 0.48956689337533454
Energy: 0.5738813594155607
Energy: 0.551429914065031
Energy: 0.5738813594152404
Energy: 0.5514299140647106
Energy: 0.5738813594152404
Energy: 0.5514299140640702
Energy: 0.5267613715618491
Energy: 0.5879681911579365
Energy: 0.5267613715615289
Energy: 0.5879681911582568
Energy: 0.5267613715618491
Energy: 0.5879681911576164
Energy: 0.5640858177201883
Energy: 0.5255090581744901
Energy: 0.5640858177153842
Energy: 0.5255090581940265
Energy: 0.5640858177198681
Energy: 0.5255090581956279
Energy: 0.6032657661052365
Energy: 0.5173297627708326
Energy: 0.6032657661033148
Energy: 0.5173297627708326
Energy: 0.6032657661055568
Energy: 0.5173297627708326
Energy: 0.5554770851612726
Energy: 0.5773262696938426
Energy: 0.5554770851759759
Energy: 0.5773262696938426
Energy: 0.5554770851670375
Energy: 0.5773262696935224
Energy: 0.5936022177523377
Energy: 0.5561994383034756
Energy: 0.5936022177520175
Energy: 0.5561994383047566
Energy: 0.593602217752658
Energy: 0.5561994383025148
Energy: 0.6255539308057693
Energy: 0.47964972141987333
Energy: 0.62555393080673
Energy: 0.479649721419553
Energy: 0.6255539308032072
Energy: 0.47964972141987333
Energy: 0.6101372368795254
Energy: 0.5653749142809769
Energy: 0.6101372368788849
Energy: 0.5653749142806566
Energy: 0.6101372368788849
Energy: 0.565374914281297
Energy: 0.5731396542233056
Energy: 0.5989310163184304
Energy: 0.573139654222665
Energy: 0.5989310163171493
Energy: 0.5731396542220245
Energy: 0.5989310163158682
Energy: 0.5467146710882523
Energy: 0.47978734456155286
Energy: 0.5467146710876118
Energy: 0.4797873445612326
Energy: 0.5467146710876118
Energy: 0.4797873445612326
Energy: 0.5747374390752574
Energy: 0.600022884320931
Energy: 0.574737439074937
Energy: 0.6000228843206107
Energy: 0.5747374390752574
Energy: 0.600022884320931
Energy: 0.5959834134331805
Energy: 0.5642420295666899
Energy: 0.595983413433821
Energy: 0.5642420295666899
Energy: 0.595983413433821
Energy: 0.5642420295657291
Energy: 0.6051939088408945
Energy: 0.4797266280653596
Energy: 0.6051939088370513
Energy: 0.4797266280653596
Energy: 0.6051939088389728
Energy: 0.4797266280653596
Energy: 0.5935916559408907
Energy: 0.5843669921627991
Energy: 0.5935916559405705
Energy: 0.5843669921624788
Energy: 0.5935916559408907
Energy: 0.5843669921624788
Energy: 0.557933615713114
Energy: 0.5857419753591543
Energy: 0.5579336157127938
Energy: 0.5857419753594745
Energy: 0.5579336157134342
Energy: 0.5857419753594745
Energy: 0.608283601286526
Energy: 0.5177012746077164
Energy: 0.6082836012868463
Energy: 0.5177012746077164
Energy: 0.6082836012874868
Energy: 0.5177012746083569
Energy: 0.592632778011737
Energy: 0.5287396788656494
Energy: 0.5926327780120573
Energy: 0.5287396788653292
Energy: 0.5926327780120573
Energy: 0.5287396788656494
Energy: 0.526716938862002
Energy: 0.5859867617651591
Energy: 0.526716938862002
Energy: 0.5859867617654794
Energy: 0.526716938862002
Energy: 0.5859867617651591
Energy: 0.5783491377382594
Energy: 0.5498651381001828
Energy: 0.5783491377385795
Energy: 0.5498651380998626
Energy: 0.5783491377385795
Energy: 0.5498651381008234
Energy: 0.579255554174091
Energy: 0.49762278993999765
Energy: 0.5792555541926667
Energy: 0.4976227899403179
Energy: 0.57925555420737
Energy: 0.4976227899396774
Energy: 0.5403791489121074
Energy: 0.631035203987407
Energy: 0.5403791489133883
Energy: 0.6310352039883677
Energy: 0.5403791489124276
Energy: 0.631035204000829
Energy: 0.5848658221236387
Energy: 0.566830445350558
Energy: 0.5848658221229981
Energy: 0.5668304453499174
Energy: 0.5848658221236387
Energy: 0.566830445349277
Energy: 0.6352120695267441
Energy: 0.538211044913195
Energy: 0.6352120695267441
Energy: 0.538211044913195
Energy: 0.6352120695267441
Energy: 0.5382110449135153
Energy: 0.48723257429709843
Energy: 0.4957289727484103
Energy: 0.4872325742974187
Energy: 0.4957289727490508
Energy: 0.48723257429709843
Energy: 0.4957289727487306
Energy: 0.5956626263829884
Energy: 0.610539616985156
Energy: 0.5956626263829884
Energy: 0.6105396169864371
Energy: 0.5956626263829884
Energy: 0.6105396169861168
Energy: 0.5676804237435658
Energy: 0.5125517420925928
Energy: 0.5676804237435658
Energy: 0.5125517420935537
Energy: 0.5676804237442062
Energy: 0.5125517420922726
Energy: 0.4917810939926106
Energy: 0.5544553628860969
Energy: 0.49178109399197
Energy: 0.5544553629043231
Energy: 0.49178109399164976
Energy: 0.5544553629027217
Energy: 0.5523434883024395
Energy: 0.5544545289086318
Energy: 0.5523434883034004
Energy: 0.5544545289086318
Energy: 0.5523434883021194
Energy: 0.5544545289092724
Energy: 0.6051204418511421
Energy: 0.49391627208035915
Energy: 0.6051204418505015
Energy: 0.4939162720809997
Energy: 0.6051204418508218
Energy: 0.4939162720781173
Energy: 0.5345882037048184
Energy: 0.5687963411472293
Energy: 0.5345882037032171
Energy: 0.5687963411475496
Energy: 0.5345882037041779
Energy: 0.568796341146909
Energy: 0.49312669293039
Energy: 0.5649840362089322
Energy: 0.49312669293006983
Energy: 0.5649840362092524
Energy: 0.49312669293006983
Energy: 0.5649840362082916
Energy: 0.5692446779680448
Energy: 0.5091769611313539
Energy: 0.5692446779680448
Energy: 0.5091769611313539
Energy: 0.5692446779680448
Energy: 0.5091769611310336
Energy: 0.5942016915231966
Energy: 0.614371130783431
Energy: 0.5942016915235168
Energy: 0.6143711307831108
Energy: 0.5942016915241574
Energy: 0.614371130783431

minimum gb energy = 0.479649721419553 eV
minimum distance =  2.58905123529149 Angstroms
sigma value = 57


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

Energy: 0.5833197511047914
Energy: 0.46692726337283513
Energy: 0.5833197511047914
Energy: 0.4669272633717922
Energy: 0.5833197511037486
Energy: 0.46692726337231366
Energy: 0.5079229489094637
Energy: 0.5296809102901113
Energy: 0.5079229489151998
Energy: 0.529680910287504
Energy: 0.5079229489146784
Energy: 0.5296809102880256
Energy: 0.47435887426268813
Energy: 0.5251443301970455
Energy: 0.480305316464867
Energy: 0.5251443301960027
Energy: 0.4743588742632096
Energy: 0.5251443301954812
Energy: 0.549739461363366
Energy: 0.46604788272755915
Energy: 0.5497394613638874
Energy: 0.4660478827280806
Energy: 0.549739461363366
Energy: 0.46604788272547326
Energy: 0.5451534529689817
Energy: 0.5327821420216716
Energy: 0.5451534529689817
Energy: 0.5327821420211503
Energy: 0.5451534529695031
Energy: 0.5327821420211503
Energy: 0.45975369989185444
Energy: 0.5212794299586362
Energy: 0.45975369989289744
Energy: 0.5212794299575932
Energy: 0.45975369989237597
Energy: 0.5212794299591578
Energy: 0.5491558735004769
Energy: 0.5244767662810658
Energy: 0.5491558734994341
Energy: 0.5244767662810658
Energy: 0.5491558734999555
Energy: 0.5244767662810658
Energy: 0.5305627765545279
Energy: 0.5856273225916339
Energy: 0.5305627765560923
Energy: 0.5856273225926768
Energy: 0.5305627765550494
Energy: 0.5856273225926768
Energy: 0.47773476427771555
Energy: 0.5354950284439982
Energy: 0.47773476427875844
Energy: 0.5354950284450412
Energy: 0.47773476427667255
Energy: 0.5354950284439982
Energy: 0.5178639315094313
Energy: 0.5398617431604138
Energy: 0.5178639313405209
Energy: 0.5398617431635427
Energy: 0.5178639313326987
Energy: 0.5398617431630212
Energy: 0.5412945483379933
Energy: 0.5476121244919397
Energy: 0.5412945483379933
Energy: 0.5476121244945472
Energy: 0.5412945483379933
Energy: 0.5476121244846393
Energy: 0.45127238249635043
Energy: 0.5864967276738419
Energy: 0.45127238249582896
Energy: 0.5864967276738419
Energy: 0.45127238249582896
Energy: 0.5864967276733204
Energy: 0.5914197051919557
Energy: 0.4799492254535073
Energy: 0.5914197051909128
Energy: 0.479949225449857
Energy: 0.5914197051914342
Energy: 0.4799492254540288
Energy: 0.5585673820940724
Energy: 0.5098139115077598
Energy: 0.5585673820956368
Energy: 0.5098139115098457
Energy: 0.558567382090422
Energy: 0.5098139115082813
Energy: 0.4773192904152359
Energy: 0.5667624890597628
Energy: 0.4773192904168003
Energy: 0.5667624890602843
Energy: 0.4773192904168003
Energy: 0.5667624890597628
Energy: 0.5284043434223321
Energy: 0.5497050900627993
Energy: 0.5284043434223321
Energy: 0.5497050900622779
Energy: 0.5284043434218108
Energy: 0.549705090061235
Energy: 0.5929638619256788
Energy: 0.5009376375803749
Energy: 0.5929638619262003
Energy: 0.5009376375803749
Energy: 0.5929638619256788
Energy: 0.5009376375808964
Energy: 0.530318643786315
Energy: 0.5584170858991544
Energy: 0.530318643786315
Energy: 0.5584170858986329
Energy: 0.5303186437857934
Energy: 0.5584170858981115
Energy: 0.5450606896315969
Energy: 0.529195554704956
Energy: 0.5450606896310756
Energy: 0.529195554704956
Energy: 0.5450606896315969
Energy: 0.5291955547054775
Energy: 0.5294556312776866
Energy: 0.46124415554326365
Energy: 0.5294556312787296
Energy: 0.46124415554274223
Energy: 0.5294556312782082
Energy: 0.46124415554274223
Energy: 0.5228457671303847
Energy: 0.5377910611253447
Energy: 0.5228457671256913
Energy: 0.53779106112013
Energy: 0.5228457671210455
Energy: 0.5377910611269091
Energy: 0.5186035096634319
Energy: 0.5617584665315062
Energy: 0.5186035096644749
Energy: 0.5617584665299418
Energy: 0.5186035096644749
Energy: 0.5617584665320277
Energy: 0.5076525619851187
Energy: 0.4514689884379932
Energy: 0.5076525619892904
Energy: 0.4514689884379932
Energy: 0.5076525619720819
Energy: 0.4514689884379932
Energy: 0.5488888898279837
Energy: 0.589227742570038
Energy: 0.5488888898274622
Energy: 0.5892277425695164
Energy: 0.5488888898264193
Energy: 0.5892277425705594
Energy: 0.5601894820220795
Energy: 0.5441845499862605
Energy: 0.5601894820257298
Energy: 0.5441845499852175
Energy: 0.5601894820179076
Energy: 0.5441845499862605
Energy: 0.5873236988161026
Energy: 0.45189296858618955
Energy: 0.5873236988176669
Energy: 0.451892968586711
Energy: 0.587323698816624
Energy: 0.45189296858618955
Energy: 0.5012719637800968
Energy: 0.5600573302611564
Energy: 0.5012719637806181
Energy: 0.5600573302611564
Energy: 0.5012719637764463
Energy: 0.5600573302601136

minimum gb energy = 0.45127238249582896 eV
minimum distance =  2.52795625359591 Angstroms
sigma value = 43


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

Energy: 0.5427099344156677
Energy: 0.4285093228194674
Energy: 0.5427099344225069
Energy: 0.42850932281756765
Energy: 0.5427099344156677
Energy: 0.4285093228251666
Energy: 0.4534120516848495
Energy: 0.48779090852270884
Energy: 0.4534120516840896
Energy: 0.4877909085230889
Energy: 0.4534120516844695
Energy: 0.48779090852422863
Energy: 0.4244060470655203
Energy: 0.4909015723248366
Energy: 0.42440604706134094
Energy: 0.4909015723290161
Energy: 0.4244060470590612
Energy: 0.4909015723240768
Energy: 0.5121252851973326
Energy: 0.4199810753805766
Energy: 0.5121252851969527
Energy: 0.4199810753809566
Energy: 0.5121252851977126
Energy: 0.41998107537791696
Energy: 0.4768273589839846
Energy: 0.4483128402779454
Energy: 0.4768273589839846
Energy: 0.44831284121106557
Energy: 0.4768273589839846
Energy: 0.4483128409585032
Energy: 0.407127490118466
Energy: 0.4634345275885696
Energy: 0.40712749011808597
Energy: 0.46343452757565134
Energy: 0.4071274901188459
Energy: 0.46343452758552994
Energy: 0.49232777964695246
Energy: 0.43455898282873445
Energy: 0.4923277796454327
Energy: 0.43455897153899875
Energy: 0.4923277796480923
Energy: 0.43455898887672817
Energy: 0.5061899016285251
Energy: 0.48755457917212974
Energy: 0.5061899016342243
Energy: 0.4875545791793142
Energy: 0.5061899016292849
Energy: 0.4875545791747548
Energy: 0.3983833753261673
Energy: 0.4689859170463822
Energy: 0.39838337532540746
Energy: 0.4689859170467622
Energy: 0.39838337532502743
Energy: 0.4689859170463822
Energy: 0.5230283532755698
Energy: 0.42537215743693024
Energy: 0.5230283532767097
Energy: 0.4253721573450171
Energy: 0.5230283532759499
Energy: 0.42537215739665557
Energy: 0.4746415780831863
Energy: 0.49180671206554005
Energy: 0.4746415780835663
Energy: 0.4918067120651601
Energy: 0.4746415780824264
Energy: 0.4918067120644002
Energy: 0.4342621243266071
Energy: 0.45800156127558095
Energy: 0.434262124327367
Energy: 0.4580015612774807
Energy: 0.4342621243266071
Energy: 0.45800156127482106
Energy: 0.5263595422141711
Energy: 0.4525393292240727
Energy: 0.5263595422141711
Energy: 0.4525393292236927
Energy: 0.526359542214551
Energy: 0.45253932922293283
Energy: 0.48372570355354744
Energy: 0.48393373514877414
Energy: 0.4837257035550672
Energy: 0.48393373514877414
Energy: 0.4837257035539274
Energy: 0.48393373514915405
Energy: 0.4237409539748982
Energy: 0.5290073656933184
Energy: 0.42374095397679795
Energy: 0.5290073656929385
Energy: 0.4237409539756581
Energy: 0.5290073656917986
Energy: 0.49499466669058895
Energy: 0.4081511139003896
Energy: 0.49499466669058895
Energy: 0.4081511123068144
Energy: 0.49499466669210873
Energy: 0.4081511107003554
Energy: 0.5047356183807615
Energy: 0.48851613762991447
Energy: 0.5047356183815214
Energy: 0.48851613762801477
Energy: 0.5047356183800016
Energy: 0.4885161376291546
Energy: 0.4023588594966989
Energy: 0.510126022360774
Energy: 0.40235885861635706
Energy: 0.5101260223622939
Energy: 0.40235885861597714
Energy: 0.5101260223619138
Energy: 0.45794233754695945
Energy: 0.42291883000347597
Energy: 0.45794233754695945
Energy: 0.42291883000841535
Energy: 0.45794233754806485
Energy: 0.4229188300057557
Energy: 0.529590257871296
Energy: 0.4930589470410911
Energy: 0.529590257870916
Energy: 0.4930589470410911
Energy: 0.529590257871296
Energy: 0.4930589470407112
Energy: 0.4299499865778084
Energy: 0.5297569794535911
Energy: 0.4299499865797082
Energy: 0.5297569794532113
Energy: 0.4299499865500721
Energy: 0.5297569794532113
Energy: 0.5135777062911792
Energy: 0.4544619012419219
Energy: 0.5135777062923189
Energy: 0.454461901241162
Energy: 0.513577706291559
Energy: 0.454461901240782
Energy: 0.5287258902358982
Energy: 0.44191887402254104
Energy: 0.5287258902355183
Energy: 0.4419188740168418
Energy: 0.5287258902362783
Energy: 0.4419188740092774
Energy: 0.4706024433746288
Energy: 0.5295045826365736
Energy: 0.47060244337158924
Energy: 0.5295045826308746
Energy: 0.4706024433833676
Energy: 0.5295045826354339
Energy: 0.4591541244149903
Energy: 0.4535161551251794
Energy: 0.4591541244092911
Energy: 0.4535161551247994
Energy: 0.4591541244134705
Energy: 0.45351615512707916
Energy: 0.46364631492083974
Energy: 0.42025188948108405
Energy: 0.46364631491931996
Energy: 0.42025188948108405
Energy: 0.46364631492007985
Energy: 0.42025188948146397
Energy: 0.41857874815330465
Energy: 0.5079230816013871
Energy: 0.4185787482353391
Energy: 0.5079230816013871
Energy: 0.41857874835270875
Energy: 0.5079230816017671
Energy: 0.4102755522548397
Energy: 0.49872131958264576
Energy: 0.4102755522362222
Energy: 0.49872131958264576
Energy: 0.41027555248118563
Energy: 0.4987213195902447
Energy: 0.4751704435465269
Energy: 0.39280567400480887
Energy: 0.4751704435187906
Energy: 0.39280567400480887
Energy: 0.4751704435389279
Energy: 0.39280567400442895
Energy: 0.4464908471498843
Energy: 0.4873564086279483
Energy: 0.44649084715026427
Energy: 0.4873564086279483
Energy: 0.4464908471498843
Energy: 0.48735640862756835
Energy: 0.45409344734102275
Energy: 0.5126715505540159
Energy: 0.4419604104398323
Energy: 0.5126715505540159
Energy: 0.4419604152771012
Energy: 0.512671550553636
Energy: 0.45527902449528196
Energy: 0.38606598313376284
Energy: 0.4552790245002214
Energy: 0.38606598313376284
Energy: 0.4552790244964218
Energy: 0.38606598313414275
Energy: 0.43858456810241836
Energy: 0.5191966682359666
Energy: 0.4385845726593885
Energy: 0.5191966682355865
Energy: 0.4385845890077999
Energy: 0.5191966682363465
Energy: 0.4980456850427689
Energy: 0.48736777987695756
Energy: 0.49804568502643115
Energy: 0.4873677798761977
Energy: 0.49804568512746306
Energy: 0.4873677798773375
Energy: 0.4545301102329098
Energy: 0.4083959582175662
Energy: 0.4545301102268306
Energy: 0.40839595821680635
Energy: 0.4545301102427885
Energy: 0.4083959582171863
Energy: 0.42455031764436113
Energy: 0.452437211015578
Energy: 0.4245503176447411
Energy: 0.4524372110170978
Energy: 0.4245503176439812
Energy: 0.45243721101029327

minimum gb energy = 0.38606598313376284 eV
minimum distance =  2.51905309276886 Angstroms
sigma value = 81


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

Energy: 0.0840108995034337
Energy: 0.13838664570333958
Energy: 0.0840108995034337
Energy: 0.13838664570333958
Energy: 0.0840108995034337
Energy: 0.13838664570333958
Energy: 0.27154956557643056
Energy: 0.08450437940852457
Energy: 0.2715495655765733
Energy: 0.08450437940922256
Energy: 0.27154956557643056
Energy: 0.08450437940866734
Energy: 0.27155096670556994
Energy: 0.08454301575302438
Energy: 0.27155096670599826
Energy: 0.0845430157534527
Energy: 0.27155096670556994
Energy: 0.08454301575330991
Energy: 0.0840108995034337
Energy: 0.13838664570360923
Energy: 0.0840108995034337
Energy: 0.13838664570360923
Energy: 0.0840108995034337
Energy: 0.13838664570348233
Energy: 0.2715495655762878
Energy: 0.08450437940809624
Energy: 0.27154956557643056
Energy: 0.08450437940893701
Energy: 0.2715495655765733
Energy: 0.08450437940852457
Energy: 0.2715509667057127
Energy: 0.08454301575357961
Energy: 0.2715509667057127
Energy: 0.08454301575372239
Energy: 0.2715509667057127
Energy: 0.08454301575415071
Energy: 0.0840108995034337
Energy: 0.13838664570348233
Energy: 0.0840108995034337
Energy: 0.13838664570348233
Energy: 0.0840108995034337
Energy: 0.13838664570333958
Energy: 0.27154956557643056
Energy: 0.08450437941074551
Energy: 0.27154956557643056
Energy: 0.08450437941103106
Energy: 0.27154956557643056
Energy: 0.08450437941061859
Energy: 0.2715509667057127
Energy: 0.08454301575093034
Energy: 0.2715509667058555
Energy: 0.08454301575135867
Energy: 0.2715509667057127
Energy: 0.08454301575107312
Energy: 0.0840108995034337
Energy: 0.13838664570360923
Energy: 0.08401089950371926
Energy: 0.13838664570333958
Energy: 0.08401089950357647
Energy: 0.13838664570348233

minimum gb energy = 0.0840108995034337 eV
minimum distance =  2.84338099646011 Angstroms
sigma value = 3


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

Energy: 0.5425388430192347
Energy: 0.44679020515533124
Energy: 0.5425388430196525
Energy: 0.44679020515533124
Energy: 0.5425388430196525
Energy: 0.44679020515491347
Energy: 0.44815459739958435
Energy: 0.4608037078622311
Energy: 0.4481545974108449
Energy: 0.46080370786139563
Energy: 0.44815459741042724
Energy: 0.4608037078626489
Energy: 0.476974015334169
Energy: 0.460761697128874
Energy: 0.4833148824039466
Energy: 0.4607616971301273
Energy: 0.4769740153345867
Energy: 0.4607616971313806
Energy: 0.5051853274157787
Energy: 0.43839865438500236
Energy: 0.505185327415361
Energy: 0.43839865438542014
Energy: 0.5051853274157787
Energy: 0.43839865438542014
Energy: 0.4363607395742572
Energy: 0.49882782464878933
Energy: 0.4363607395755105
Energy: 0.498827824661721
Energy: 0.4363607395755105
Energy: 0.4988278246521314
Energy: 0.47007615191752755
Energy: 0.47104135501042244
Energy: 0.47007615191794533
Energy: 0.471041355011258
Energy: 0.47007615191752755
Energy: 0.471041355011258
Energy: 0.4769773147091903
Energy: 0.44887589110861525
Energy: 0.4769773146966765
Energy: 0.448875891109033
Energy: 0.47697731470043636
Energy: 0.4488758911081975
Energy: 0.43358979738401615
Energy: 0.495670170541077
Energy: 0.4335897973844339
Energy: 0.49567017053815265
Energy: 0.4335897973844339
Energy: 0.495670170541077
Energy: 0.4623393671267289
Energy: 0.46114989143816343
Energy: 0.46233936712714674
Energy: 0.46114989143816343
Energy: 0.46233936712756446
Energy: 0.46114989143816343
Energy: 0.4717039997785819
Energy: 0.41952370700366765
Energy: 0.47170399977816424
Energy: 0.41952370700408537
Energy: 0.47170399977941757
Energy: 0.41952370700408537
Energy: 0.44105907007114115
Energy: 0.49416661378339044
Energy: 0.44105907007030565
Energy: 0.49416661378380816
Energy: 0.4410590700715588
Energy: 0.49416661378297266
Energy: 0.464227195516384
Energy: 0.4765964713392121
Energy: 0.46422719551598524
Energy: 0.4765964713404653
Energy: 0.464227195516384
Energy: 0.4765964713400476
Energy: 0.4806223944028548
Energy: 0.4288039136280093
Energy: 0.4806223944036904
Energy: 0.42880391362842707
Energy: 0.48062239440327265
Energy: 0.42880391362842707
Energy: 0.43520052024868683
Energy: 0.4797654763114711
Energy: 0.43520052025077566
Energy: 0.47976547631186983
Energy: 0.4352005202495223
Energy: 0.4797654763114711
Energy: 0.45172612978833354
Energy: 0.47696156646440613
Energy: 0.45172612978749804
Energy: 0.4769615664710903
Energy: 0.45172612978749804
Energy: 0.4769615664702548
Energy: 0.5011063684022893
Energy: 0.4322206649292381
Energy: 0.501106368402707
Energy: 0.43222066492965594
Energy: 0.5011063684018714
Energy: 0.4322206649292381
Energy: 0.46540220615009315
Energy: 0.4911693211281904
Energy: 0.46540220615009315
Energy: 0.4911693211277727
Energy: 0.465402206150511
Energy: 0.4911693211281904
Energy: 0.4607265409698142
Energy: 0.48493442331551084
Energy: 0.4607265409677254
Energy: 0.48493442331551084
Energy: 0.46072654097023197
Energy: 0.48493442331509307
Energy: 0.45880447024867926
Energy: 0.44404792680245564
Energy: 0.4588044702482616
Energy: 0.44404792680245564
Energy: 0.4588044702503504
Energy: 0.44404792680078453
Energy: 0.4562697437617822
Energy: 0.541328013604177
Energy: 0.456269743723367
Energy: 0.5413280136045948
Energy: 0.4562697437530092
Energy: 0.541328013604177
Energy: 0.4656898481651108
Energy: 0.4647465389429559
Energy: 0.4656898462371515
Energy: 0.4647465389429559
Energy: 0.465689846794201
Energy: 0.4647465389429559
Energy: 0.48961500283875314
Energy: 0.4521434484879157
Energy: 0.48961500282956233
Energy: 0.4521434484879157
Energy: 0.4896150028370821
Energy: 0.45214344848332033
Energy: 0.44172779728400635
Energy: 0.5146481655157438
Energy: 0.44172779728317085
Energy: 0.5146481655161425
Energy: 0.4417277972835886
Energy: 0.5146481655157438
Energy: 0.4674815256927518
Energy: 0.4699738990699234
Energy: 0.46748152569358736
Energy: 0.4699738990678346
Energy: 0.46748152569358736
Energy: 0.46997389907034115
Energy: 0.48341789762520804
Energy: 0.4579715335293916
Energy: 0.48341789762520804
Energy: 0.4579715335669713
Energy: 0.48341789762520804
Energy: 0.4579715335532041
Energy: 0.4169600328697858
Energy: 0.502311239274743
Energy: 0.41696003286936806
Energy: 0.5023112392755594
Energy: 0.4169600328706213
Energy: 0.502311239274743
Energy: 0.5027885351902869
Energy: 0.44497165064564437
Energy: 0.5027885351890335
Energy: 0.4449716506460622
Energy: 0.5027885351940468
Energy: 0.4449716506460622
Energy: 0.47691222854829207
Energy: 0.46516582305095494
Energy: 0.4769122285474566
Energy: 0.46516582305011944
Energy: 0.47691222854829207
Energy: 0.46516582305220827
Energy: 0.39977944994866793
Energy: 0.47485354777478883
Energy: 0.39977944994866793
Energy: 0.474853547779802
Energy: 0.39977944994866793
Energy: 0.4748535477735356
Energy: 0.5163482917070027
Energy: 0.45701496374811584
Energy: 0.5163482917061673
Energy: 0.45701496374811584
Energy: 0.516348291706585
Energy: 0.45701496374811584
Energy: 0.47082575890655115
Energy: 0.4552135273434062
Energy: 0.47082575890613343
Energy: 0.4552135273434062
Energy: 0.47082575890613343
Energy: 0.4552135273404818
Energy: 0.41482831037567935
Energy: 0.4626384927471677
Energy: 0.4148283103752617
Energy: 0.4626384927463321
Energy: 0.41482831037567935
Energy: 0.4626384927467499
Energy: 0.4798328247073064
Energy: 0.46329827184819167
Energy: 0.4798328247073064
Energy: 0.46329827184819167
Energy: 0.4798328247073064
Energy: 0.46329827184819167

minimum gb energy = 0.39977944994866793 eV
minimum distance =  2.63628646410753 Angstroms
sigma value = 67


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

Energy: 0.5731415358343204
Energy: 0.4997501646597702
Energy: 0.5731415358319393
Energy: 0.4997501646597702
Energy: 0.5731415358349156
Energy: 0.4997501646597702
Energy: 0.5131060363524876
Energy: 0.5361157728938595
Energy: 0.5131060363530828
Energy: 0.5361157728932642
Energy: 0.5131060363524876
Energy: 0.5361157728944548
Energy: 0.5523913001688757
Energy: 0.5188908468051808
Energy: 0.5523913001682804
Energy: 0.5188908468039904
Energy: 0.5523913001688757
Energy: 0.5188908468051808
Energy: 0.5539591515519737
Energy: 0.4932152363222088
Energy: 0.553959151552569
Energy: 0.4932152363222088
Energy: 0.5539591515442351
Energy: 0.49321523632280406
Energy: 0.5080623472960851
Energy: 0.5364132283717533
Energy: 0.5080623472960851
Energy: 0.5364132283723486
Energy: 0.5080623472960851
Energy: 0.5364132283669912
Energy: 0.5231468434410725
Energy: 0.5167090538780751
Energy: 0.5231468434410725
Energy: 0.516709053866765
Energy: 0.5231468434410725
Energy: 0.5167090538780751
Energy: 0.5399202007943691
Energy: 0.5041068908342384
Energy: 0.5399202008015124
Energy: 0.5041068908342384
Energy: 0.5399202007961549
Energy: 0.5041068908342384
Energy: 0.5322661599216159
Energy: 0.524284270426927
Energy: 0.532266159922211
Energy: 0.5242842704263319
Energy: 0.532266159926378
Energy: 0.5242842704263319
Energy: 0.525794193752534
Energy: 0.5419016651302291
Energy: 0.525794193752534
Energy: 0.5419016651308243
Energy: 0.5257941937519388
Energy: 0.5419016651302291
Energy: 0.5181685449978257
Energy: 0.514245335231945
Energy: 0.5181685449972304
Energy: 0.5142453352325402
Energy: 0.5181685449978257
Energy: 0.514245335231945
Energy: 0.5374925798504777
Energy: 0.5471003978049479
Energy: 0.5374925798504777
Energy: 0.5471003978049479
Energy: 0.5374925798504777
Energy: 0.5471003978049479
Energy: 0.5030291705338982
Energy: 0.561116000991667
Energy: 0.5030291730757368
Energy: 0.5611160009922622
Energy: 0.5030292218932327
Energy: 0.561116000991667
Energy: 0.5074028610778217
Energy: 0.508737035185821
Energy: 0.5074028610784171
Energy: 0.5087370351852258
Energy: 0.5074028610778217
Energy: 0.508737035185821
Energy: 0.5152258663065457
Energy: 0.5690442893686474
Energy: 0.5152258663077361
Energy: 0.5690442893686474
Energy: 0.5152258663059505
Energy: 0.5690442893686474
Energy: 0.489961941276854
Energy: 0.5381514390718152
Energy: 0.4899619414863063
Energy: 0.5381514390718152
Energy: 0.4899619413393298
Energy: 0.5381514390718152
Energy: 0.563330133357215
Energy: 0.5092544161113173
Energy: 0.5633301333566196
Energy: 0.5092544161113173
Energy: 0.5633301333566196
Energy: 0.5092544161113173
Energy: 0.49224582865173055
Energy: 0.5685814410669517
Energy: 0.49224582865232586
Energy: 0.5685814410657611
Energy: 0.49224582865232586
Energy: 0.5685814410657611
Energy: 0.551644536231684
Energy: 0.5266602870696313
Energy: 0.5516445362310887
Energy: 0.5266602870696313
Energy: 0.551644536231684
Energy: 0.5266602870702265
Energy: 0.5497278295108556
Energy: 0.5230788989103511
Energy: 0.5497278295150224
Energy: 0.5230788986122582
Energy: 0.5497278295108556
Energy: 0.5230788988824007
Energy: 0.5177543379445493
Energy: 0.5239223312892082
Energy: 0.5177543379439541
Energy: 0.5239223338917639
Energy: 0.5177543379463351
Energy: 0.5239223327838662
Energy: 0.579381536151317
Energy: 0.48532792075165204
Energy: 0.5793815361525076
Energy: 0.48532792074450887
Energy: 0.5793815361525076
Energy: 0.48532792075284253
Energy: 0.5405562596564192
Energy: 0.5643164322454888
Energy: 0.5405562596588003
Energy: 0.564316432246084
Energy: 0.5405562596611814
Energy: 0.564316432246084
Energy: 0.4513884712446369
Energy: 0.5232290056451573
Energy: 0.4513884712446369
Energy: 0.5232290056844178
Energy: 0.4513884712446369
Energy: 0.5232290056451573

minimum gb energy = 0.4513884712446369 eV
minimum distance =  2.585231629131 Angstroms
sigma value = 33


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

Energy: 0.5975277552918585
Energy: 0.5112890259651147
Energy: 0.5975277552918585
Energy: 0.5112890259651147
Energy: 0.5975277552918585
Energy: 0.5112890259651147
Energy: 0.5392583038837281
Energy: 0.5621449819491546
Energy: 0.5392583038837281
Energy: 0.5621449819502875
Energy: 0.5392583038829729
Energy: 0.5621449819491546
Energy: 0.5736403528705105
Energy: 0.5381963393430648
Energy: 0.5736403528693778
Energy: 0.53819633934382
Energy: 0.5736403528705105
Energy: 0.5381963393430648
Energy: 0.6151002251923438
Energy: 0.5172617400845936
Energy: 0.6151002251923438
Energy: 0.5172617400849713
Energy: 0.6151002251923438
Energy: 0.5172617400845936
Energy: 0.5595866843928827
Energy: 0.577702316900741
Energy: 0.5595866843917499
Energy: 0.5777023169026291
Energy: 0.5595866843932604
Energy: 0.5777023169018739
Energy: 0.6276148671870478
Energy: 0.5874490368771473
Energy: 0.6276148671866704
Energy: 0.5874490368767696
Energy: 0.6276148671870478
Energy: 0.5696504079705267
Energy: 0.5825822395509636
Energy: 0.5588207047052035
Energy: 0.5825822395509636
Energy: 0.5588207047052035
Energy: 0.5825822395520964
Energy: 0.5588207047055812
Energy: 0.5837676382299177
Energy: 0.5737997025770545
Energy: 0.5837676382302954
Energy: 0.5737997025770545
Energy: 0.5837676382302954
Energy: 0.5737997025770545
Energy: 0.5385037424269953
Energy: 0.5709510029445076
Energy: 0.5385037424269953
Energy: 0.5709510029448852
Energy: 0.5385037424269953
Energy: 0.5709510029467734
Energy: 0.5811420322612793
Energy: 0.5527021160979361
Energy: 0.5811420323167558
Energy: 0.5591781449921421
Energy: 0.5811420332539872
Energy: 0.5499852211336727
Energy: 0.5464181846132036
Energy: 0.5818306795978294
Energy: 0.5464181846128261
Energy: 0.5818306795989622
Energy: 0.5464181846128261
Energy: 0.5818306795993399
Energy: 0.5217999922285094
Energy: 0.5495209311229643
Energy: 0.5217999922277541
Energy: 0.5495209311641253
Energy: 0.5217999922285094
Energy: 0.5495209311467546
Energy: 0.610532596935636
Energy: 0.5291846036240867
Energy: 0.610532596933748
Energy: 0.5291846036237092
Energy: 0.6105325969348808
Energy: 0.5291846036237092
Energy: 0.5551499023484653
Energy: 0.5654057930162435
Energy: 0.5551499023473324
Energy: 0.5654057930321038
Energy: 0.5551499023473324
Energy: 0.5654057929664313
Energy: 0.5782355483582334
Energy: 0.5357752663463062
Energy: 0.5782355483589887
Energy: 0.5357752663466837
Energy: 0.5782355483582334
Energy: 0.5357752663459285
Energy: 0.6158598445077907
Energy: 0.5522188659649898
Energy: 0.6158598445077907
Energy: 0.5522188659748081
Energy: 0.6158598445077907
Energy: 0.5522188659736752
Energy: 0.5618140183640818
Energy: 0.5492027027223635
Energy: 0.5618140183637043
Energy: 0.5492027027234964
Energy: 0.5618140183637043
Energy: 0.5492027027227411
Energy: 0.6028607828405174
Energy: 0.5650218445865076
Energy: 0.6028607828390411
Energy: 0.5650218445857523
Energy: 0.6028607828393846
Energy: 0.5650218445849969
Energy: 0.5549856005029006
Energy: 0.5839717850702412
Energy: 0.5549856005021452
Energy: 0.5839717850687306
Energy: 0.5549856005029006
Energy: 0.5839717850770041
Energy: 0.5577534380053282
Energy: 0.5740333425314142
Energy: 0.5577534380057058
Energy: 0.5740333425359457
Energy: 0.5577534380053282
Energy: 0.5740333425212184
Energy: 0.6107696988360108
Energy: 0.5458172592855401
Energy: 0.6107696988363883
Energy: 0.5458172592764771
Energy: 0.610769698836766
Energy: 0.5458172592768548
Energy: 0.5886226375710696
Energy: 0.5344123802751559
Energy: 0.5886226375703142
Energy: 0.5344123802744005
Energy: 0.5886226375699367
Energy: 0.5344123802755334
Energy: 0.521683677633197
Energy: 0.5857743361144329
Energy: 0.521683677633197
Energy: 0.5857743361144329
Energy: 0.521683677633197
Energy: 0.5857743361144329
Energy: 0.6330642361262692
Energy: 0.5399189905125543
Energy: 0.6330642361266468
Energy: 0.539918990512932
Energy: 0.6330642361262692
Energy: 0.5399189905136872
Energy: 0.5734026359320388
Energy: 0.5463355324451455
Energy: 0.5734026359316613
Energy: 0.5463355324357048
Energy: 0.5734026359316613
Energy: 0.5463355324017185
Energy: 0.5302922205003098
Energy: 0.58151293473997
Energy: 0.5302922205025754
Energy: 0.5815129347395924
Energy: 0.5302922204972887
Energy: 0.5815129347403477
Energy: 0.6119275939504151
Energy: 0.5391955799106058
Energy: 0.6119275939492823
Energy: 0.5391955799102283
Energy: 0.6119275939485269
Energy: 0.5391955799102283
Energy: 0.5680846038667011
Energy: 0.5871233799696057
Energy: 0.5680846038667011
Energy: 0.5871233799688506
Energy: 0.5680846038670786
Energy: 0.5871233799699833
Energy: 0.5588456442133628
Energy: 0.5687483261270322
Energy: 0.5588456442137404
Energy: 0.5687483261919495
Energy: 0.5588456442133628
Energy: 0.5687483260039609
Energy: 0.5597844986652383
Energy: 0.5628007748991765
Energy: 0.5597844986641054
Energy: 0.5628007748991765
Energy: 0.5597844986769104
Energy: 0.5628007748991765
Energy: 0.5828748763583598
Energy: 0.5660243126504667
Energy: 0.5828748763659123
Energy: 0.5660243126504667
Energy: 0.5828748763557164
Energy: 0.566024312650089
Energy: 0.5694594813963079
Energy: 0.5855535251025159
Energy: 0.5694594813963079
Energy: 0.5855535251021382
Energy: 0.5694594813963079
Energy: 0.5855535251025159
Energy: 0.5764708333946625
Energy: 0.577711145259469
Energy: 0.5764708333950401
Energy: 0.577711145259469
Energy: 0.5764708333942848
Energy: 0.577711145259469
Energy: 0.5634379410018113
Energy: 0.5411903441574584
Energy: 0.563437941001056
Energy: 0.5411903441582137
Energy: 0.5634379410014336
Energy: 0.5411903441567375
Energy: 0.5569497371021845
Energy: 0.5438902797345017
Energy: 0.5569497371025621
Energy: 0.543890279735257
Energy: 0.5569497371021845
Energy: 0.5438902797345017
Energy: 0.5929913865228349
Energy: 0.5265396269514906
Energy: 0.5929913865232126
Energy: 0.5265396269496025
Energy: 0.5929913865228349
Energy: 0.5265396269522459
Energy: 0.5275152902309416
Energy: 0.5875624978746721
Energy: 0.5275152902286757
Energy: 0.5875624978761826
Energy: 0.5275152902294309
Energy: 0.5875624978761826

minimum gb energy = 0.5112890259651147 eV
minimum distance =  2.52251679683022 Angstroms
sigma value = 41


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

Energy: 0.6146333662973359
Energy: 0.5641346710794906
Energy: 0.6146333662973359
Energy: 0.5641346710794906
Energy: 0.6146333662973359
Energy: 0.5641346710794906
Energy: 0.5736368388622877
Energy: 0.5833916411537754
Energy: 0.5736368388664117
Energy: 0.5833916411537754
Energy: 0.5736368388633186
Energy: 0.5833916411537754
Energy: 0.6780418716014424
Energy: 0.5836527963291229
Energy: 0.6592552307194739
Energy: 0.5836527963291229
Energy: 0.6233834373246031
Energy: 0.5836527963291229
Energy: 0.6619751375661113
Energy: 0.6200866929380041
Energy: 0.6619751375661113
Energy: 0.6200866929380041
Energy: 0.6619751375661113
Energy: 0.6200866929380041
Energy: 0.6199487888262739
Energy: 0.5943472065761224
Energy: 0.6199487888262739
Energy: 0.5943472065761224
Energy: 0.619948788825243
Energy: 0.5943472065761224
Energy: 0.6142089801859606
Energy: 0.60913939222245
Energy: 0.6142089801869917
Energy: 0.60913939222245
Energy: 0.6142089801859606
Energy: 0.6091393922234809
Energy: 0.6117856359927817
Energy: 0.5923743775293888
Energy: 0.6117856359927817
Energy: 0.5923743775293888
Energy: 0.6117856359927817
Energy: 0.5923743775293888
Energy: 0.582735896582573
Energy: 0.5968039926484815
Energy: 0.582735896582573
Energy: 0.5968039926484815
Energy: 0.582735896582573
Energy: 0.5968039926495126
Energy: 0.573811823304428
Energy: 0.5619675225887326
Energy: 0.573811823304428
Energy: 0.5619675225907946
Energy: 0.573811823305459
Energy: 0.5619675225897637
Energy: 0.6052527023370352
Energy: 0.5727886848079341
Energy: 0.6052527023349732
Energy: 0.5727886848079341
Energy: 0.6052527023370352
Energy: 0.5727886848079341
Energy: 0.619695896197242
Energy: 0.5787888271054189
Energy: 0.619695896197242
Energy: 0.5787888271054189
Energy: 0.619695896197242
Energy: 0.5787888271054189
Energy: 0.6019909542742813
Energy: 0.584119365143457
Energy: 0.6019909542722194
Energy: 0.584119365143457
Energy: 0.6019909542711882
Energy: 0.584119365143457
Energy: 0.6195575061643176
Energy: 0.6416847854927712
Energy: 0.6195575061643176
Energy: 0.6416847854927712
Energy: 0.6195575061643176
Energy: 0.6416847854927712
Energy: 0.6125619456707714
Energy: 0.596655162527901
Energy: 0.6125619456697403
Energy: 0.596655162527901
Energy: 0.6125619456707714
Energy: 0.596655162527901

minimum gb energy = 0.5619675225887326 eV
minimum distance =  2.51895367505656 Angstroms
sigma value = 11


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

Energy: 0.6266114809230515
Energy: 0.6782494913412087
Energy: 0.6266114809230515
Energy: 0.6782494913412087
Energy: 0.6266114809230515
Energy: 0.6782494913412087
Energy: 0.6174194449163536
Energy: 0.6392185553922732
Energy: 0.6174194449163536
Energy: 0.6392185553922732
Energy: 0.6174194449159006
Energy: 0.6392185553922732
Energy: 0.645996643584123
Energy: 0.6032973221941847
Energy: 0.639776002979141
Energy: 0.6032973221941847
Energy: 0.6397760029786881
Energy: 0.6032973221941847
Energy: 0.6264275170494658
Energy: 0.5792605230158001
Energy: 0.6264275170490128
Energy: 0.5792605230158001
Energy: 0.6264275170494658
Energy: 0.5792605230158001
Energy: 0.6301879924943652
Energy: 0.6021298125581441
Energy: 0.6301879924939122
Energy: 0.6021298125581441
Energy: 0.6301879924943652
Energy: 0.6021298125576913
Energy: 0.6203348878805226
Energy: 0.6274617235183451
Energy: 0.6203348878814285
Energy: 0.6274617235183451
Energy: 0.6203348878809756
Energy: 0.6274617235183451
Energy: 0.6055952548821808
Energy: 0.6117720834564615
Energy: 0.6055952548817278
Energy: 0.6117720834564615
Energy: 0.6055952548821808
Energy: 0.6117720834564615
Energy: 0.657311572998408
Energy: 0.6310564929598446
Energy: 0.657311572998408
Energy: 0.6310564929598446
Energy: 0.657311572998408
Energy: 0.6310564929602975
Energy: 0.614481074478331
Energy: 0.6303708534827076
Energy: 0.6144810744751604
Energy: 0.6303708534827076
Energy: 0.6144810744774251
Energy: 0.6303708534827076
Energy: 0.5968708841503396
Energy: 0.6220540438361966
Energy: 0.5968708841503396
Energy: 0.6220540438361966
Energy: 0.5968708841498869
Energy: 0.6220540438361966
Energy: 0.6027176663192977
Energy: 0.6406946878390867
Energy: 0.6027176663197507
Energy: 0.6406946878390867
Energy: 0.6027176663202036
Energy: 0.6406946878390867
Energy: 0.6155567838066354
Energy: 0.642016524051071
Energy: 0.6155567838061825
Energy: 0.642016524050618
Energy: 0.6155567838066354
Energy: 0.642016524050618
Energy: 0.6176170390624569
Energy: 0.6407467515062631
Energy: 0.617617039061551
Energy: 0.6407467515058102
Energy: 0.6176170390728742
Energy: 0.6407467515062631
Energy: 0.6255649213787688
Energy: 0.6150136439401307
Energy: 0.6255649213787688
Energy: 0.6150136439401307
Energy: 0.6255649213769572
Energy: 0.6150136439401307
Energy: 0.5867456530916549
Energy: 0.599326875110382
Energy: 0.5867456530916549
Energy: 0.5993268751094762
Energy: 0.586745653090749
Energy: 0.5993268751099291
Energy: 0.5985318272888529
Energy: 0.6331363657492205
Energy: 0.5985318272865883
Energy: 0.6331363657492205
Energy: 0.5985318272883999
Energy: 0.6331363657492205
Energy: 0.6274044262453048
Energy: 0.6488772433741873
Energy: 0.6274044262453048
Energy: 0.6488772433741873
Energy: 0.6274044262448518
Energy: 0.6488772433741873
Energy: 0.6736345991995082
Energy: 0.6453125373910144
Energy: 0.6736345991990552
Energy: 0.6453125373910144
Energy: 0.6736345991995082
Energy: 0.6453125373910144
Energy: 0.6101193235812283
Energy: 0.6126678940726347
Energy: 0.6101193235807755
Energy: 0.6126678940726347
Energy: 0.6101193235807755
Energy: 0.6126678940726347
Energy: 0.6279335498182705
Energy: 0.5984299407012765
Energy: 0.6279335498182705
Energy: 0.5984299407017295
Energy: 0.6279335498182705
Energy: 0.5984299407017295
Energy: 0.6290590878392291
Energy: 0.5951891691064167
Energy: 0.6290590878392291
Energy: 0.5951891691064167
Energy: 0.6290590878392291
Energy: 0.5951891691050579
Energy: 0.6281056410425742
Energy: 0.6783167230080234
Energy: 0.6281056410425742
Energy: 0.6783167230084762
Energy: 0.6281056410425742
Energy: 0.6783167230084762
Energy: 0.63477241069831
Energy: 0.6055271596138138
Energy: 0.634772410698763
Energy: 0.6055271596138138
Energy: 0.634772410698763
Energy: 0.6055271596138138
Energy: 0.6238011649578519
Energy: 0.6387073653424105
Energy: 0.6238011649537962
Energy: 0.6387073653424105
Energy: 0.623801164956946
Energy: 0.6387073653419575
Energy: 0.6061707747955202
Energy: 0.6305850361406634
Energy: 0.6061707747955202
Energy: 0.6305850361406634
Energy: 0.6061707747955202
Energy: 0.6305850361406634
Energy: 0.5834822167444872
Energy: 0.6168428834103019
Energy: 0.5834822167444872
Energy: 0.6168428834103019
Energy: 0.5834822167440342
Energy: 0.6168428834107549
Energy: 0.6097290203383829
Energy: 0.6138493338606857
Energy: 0.6097290203388359
Energy: 0.6138493338733679
Energy: 0.6097290203379301
Energy: 0.6138493339041464
Energy: 0.6448301822477303
Energy: 0.6550946367455287
Energy: 0.6448301822477303
Energy: 0.6550946367455287
Energy: 0.6448301822477303
Energy: 0.6550946367455287
Energy: 0.6135536027897426
Energy: 0.6160824353778505
Energy: 0.6135536027897426
Energy: 0.6160824353778505
Energy: 0.6135536027892896
Energy: 0.6160824353778505
Energy: 0.5962205803165299
Energy: 0.6231454413622681
Energy: 0.5962205803174357
Energy: 0.6231454413618154
Energy: 0.5962205803160769
Energy: 0.6231454413618154
Energy: 0.5966085730688602
Energy: 0.657135765109963
Energy: 0.5966085730684072
Energy: 0.657135765109963
Energy: 0.5966085730684072
Energy: 0.657135765109963

minimum gb energy = 0.5792605230158001 eV
minimum distance =  2.50140998255897 Angstroms
sigma value = 57


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

Energy: 0.5480278988185597
Energy: 0.5205882862484738
Energy: 0.5480278988185597
Energy: 0.5205882862484738
Energy: 0.5480278988185597
Energy: 0.5205882862484738
Energy: 0.6091133673461185
Energy: 0.6262997786625172
Energy: 0.6091133673469245
Energy: 0.6262997786617112
Energy: 0.6091133673461185
Energy: 0.6262997786609051
Energy: 0.584304166738839
Energy: 0.5664529064070248
Energy: 0.5843041667364393
Energy: 0.5664529064070248
Energy: 0.5843041667356333
Energy: 0.5664529064070248
Energy: 0.5528802659961057
Energy: 0.6034922052540423
Energy: 0.5528802659961057
Energy: 0.6227087783257618
Energy: 0.5528802659961057
Energy: 0.5837829370744003
Energy: 0.609745736746999
Energy: 0.5664224146983361
Energy: 0.609745736746999
Energy: 0.5664224146983361
Energy: 0.609745736746999
Energy: 0.566422414699142
Energy: 0.6096718229601233
Energy: 0.6124472891203454
Energy: 0.6096718229601233
Energy: 0.6124472891203454
Energy: 0.6096718229601233
Energy: 0.6124472891195394
Energy: 0.5480278988201718
Energy: 0.5205882862484738
Energy: 0.5480278988201718
Energy: 0.5205882862484738
Energy: 0.5480278988201718
Energy: 0.5205882862484738
Energy: 0.6091133673445065
Energy: 0.6262997786617112
Energy: 0.6091133673453125
Energy: 0.6262997786625172
Energy: 0.6091133673445065
Energy: 0.6262997786625172
Energy: 0.5843041667589889
Energy: 0.5664529064070248
Energy: 0.5843041667638248
Energy: 0.5664529064062188
Energy: 0.5843041667565708
Energy: 0.5664529064070248
Energy: 0.5528802659961057
Energy: 0.6370633750324032
Energy: 0.5528802659969116
Energy: 0.6370633750324032
Energy: 0.5528802659969116
Energy: 0.5837829445829265
Energy: 0.609745736742969
Energy: 0.566422414699142
Energy: 0.609745736742969
Energy: 0.566422414699142
Energy: 0.609745736742969
Energy: 0.566422414699142
Energy: 0.6096718229601233
Energy: 0.6264895141092129
Energy: 0.6096718229601233
Energy: 0.6264895141092129
Energy: 0.6096718229601233
Energy: 0.6264895141092129
Energy: 0.5480278988217838
Energy: 0.5205882862484738
Energy: 0.5480278988217838
Energy: 0.5205882862492798
Energy: 0.5480278988217838
Energy: 0.5205882862492798
Energy: 0.6091133673445065
Energy: 0.6262997786625172
Energy: 0.6091133673453125
Energy: 0.6262997786617112
Energy: 0.6091133673445065
Energy: 0.6262997786617112
Energy: 0.5843041667944342
Energy: 0.5664529064070248
Energy: 0.5843041668033002
Energy: 0.5664529064070248
Energy: 0.5843041667920162
Energy: 0.5664529064070248
Energy: 0.5528802659969116
Energy: 0.583782940929376
Energy: 0.5528802659961057
Energy: 0.5837829401728778
Energy: 0.5528802659969116
Energy: 0.5837829396709819
Energy: 0.609745736740551
Energy: 0.5664224146983361
Energy: 0.609745736740551
Energy: 0.5664224146983361
Energy: 0.609745736740551
Energy: 0.5664224146983361

minimum gb energy = 0.5205882862484738 eV
minimum distance =  2.55103960372568 Angstroms
sigma value = 9


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

Energy: 0.5959961942623208
Energy: 0.6464476123485594
Energy: 0.5959961942596884
Energy: 0.6464476123485594
Energy: 0.5959961942603466
Energy: 0.6464476123485594
Energy: 0.6418801188911153
Energy: 0.6327922297413587
Energy: 0.6418801188911153
Energy: 0.6327922297413587
Energy: 0.6418801188911153
Energy: 0.6327922297413587
Energy: 0.6274702527869643
Energy: 0.6147652559096668
Energy: 0.6388641213579331
Energy: 0.6147652559096668
Energy: 0.6660583969532513
Energy: 0.6147652559090087
Energy: 0.6058076903068295
Energy: 0.6575202653769594
Energy: 0.6058076903068295
Energy: 0.6575202653769594
Energy: 0.6058076903068295
Energy: 0.6575202653769594
Energy: 0.614861931329991
Energy: 0.6263127904864222
Energy: 0.614861931329333
Energy: 0.6263127904831318
Energy: 0.6148619313254143
Energy: 0.6263127904837898
Energy: 0.6622895677951157
Energy: 0.6059776635244459
Energy: 0.6622895677951157
Energy: 0.6059776635244459
Energy: 0.6622895677951157
Energy: 0.6059776635244459
Energy: 0.5806090879417027
Energy: 0.6292066503266289
Energy: 0.5806090879417027
Energy: 0.6292066503259709
Energy: 0.5806090879417027
Energy: 0.6292066503259709
Energy: 0.6407492372199027
Energy: 0.63155343267785
Energy: 0.6407492372199027
Energy: 0.631553432683773
Energy: 0.6407492372199027
Energy: 0.6315534326765339
Energy: 0.6783756247182562
Energy: 0.5935374395454959
Energy: 0.6783756247182562
Energy: 0.5935374395408893
Energy: 0.6783756247182562
Energy: 0.5935374395362827
Energy: 0.5783302808023619
Energy: 0.6596645362449922
Energy: 0.5783302808030201
Energy: 0.6596645362449922
Energy: 0.5783302808023619
Energy: 0.6596645362449922
Energy: 0.639595575837363
Energy: 0.6329416208109032
Energy: 0.6395955758386792
Energy: 0.6329416208109032
Energy: 0.6395955758413118
Energy: 0.6329416208109032
Energy: 0.6175978227162563
Energy: 0.5835156051210486
Energy: 0.6175978227162563
Energy: 0.5835156051210486
Energy: 0.6175978227162563
Energy: 0.5835156051210486
Energy: 0.6086461786774806
Energy: 0.6879323061665057
Energy: 0.6086461786774806
Energy: 0.6879323061665057
Energy: 0.6086461786768225
Energy: 0.6879323061665057
Energy: 0.6774124984206863
Energy: 0.6429615697322594
Energy: 0.6774124984206863
Energy: 0.6429615697322594
Energy: 0.6774124984206863
Energy: 0.6429615697322594
Energy: 0.6308390841873569
Energy: 0.6089337572234483
Energy: 0.6308390841873569
Energy: 0.6089337572260807
Energy: 0.6308390841873569
Energy: 0.608933757221474
Energy: 0.5984051573273328
Energy: 0.6294981825144619
Energy: 0.598405157329307
Energy: 0.6294981825091972
Energy: 0.5984051573279909
Energy: 0.629498182513804
Energy: 0.637011304052253
Energy: 0.6571022825743285
Energy: 0.637011304036459
Energy: 0.6571022825743285
Energy: 0.6370113040351427
Energy: 0.6571022825736704
Energy: 0.6403751848556157
Energy: 0.6103286142280452
Energy: 0.6403751848562738
Energy: 0.6103286142293614
Energy: 0.6403751848556157
Energy: 0.6103286142273872
Energy: 0.6019947731057255
Energy: 0.6419932279643842
Energy: 0.6019947731063836
Energy: 0.6419932279650422
Energy: 0.6019947731063836
Energy: 0.6419932279643842
Energy: 0.6135436431092441
Energy: 0.6777727703605325
Energy: 0.6135436431105604
Energy: 0.6777727703592163
Energy: 0.6135436431105604
Energy: 0.6777727703585583
Energy: 0.6110121672326052
Energy: 0.5820005079960158
Energy: 0.6110121672326052
Energy: 0.5820005079946995
Energy: 0.6110121672326052
Energy: 0.5820005079960158

minimum gb energy = 0.5783302808023619 eV
minimum distance =  2.58076030057075 Angstroms
sigma value = 27


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

Energy: 0.5766331317392392
Energy: 0.5533379589324099
Energy: 0.576633131737575
Energy: 0.5533379589329646
Energy: 0.5766331317386846
Energy: 0.5533379589329646
Energy: 0.5539165112015187
Energy: 0.5785916343956454
Energy: 0.5539165112020482
Energy: 0.5785916343900982
Energy: 0.5539165112059312
Energy: 0.5785916343962002
Energy: 0.6722195947591733
Energy: 0.5514277470879115
Energy: 0.6722195947591733
Energy: 0.5514277470884662
Energy: 0.672219594759728
Energy: 0.5514277470879115
Energy: 0.6584938370388627
Energy: 0.6742573290374233
Energy: 0.6584938370377531
Energy: 0.6742573290374233
Energy: 0.6584938370383079
Energy: 0.6742573290374233
Energy: 0.5767265691062885
Energy: 0.5525205253973678
Energy: 0.5767265691062885
Energy: 0.5525205253968132
Energy: 0.5767265691062885
Energy: 0.5525205253973678
Energy: 0.5569074995322163
Energy: 0.657687922446519
Energy: 0.5569074995322163
Energy: 0.657687922446519
Energy: 0.5569074995322163
Energy: 0.657687922446519
Energy: 0.5725756062860193
Energy: 0.5564031999485501
Energy: 0.5725756062860193
Energy: 0.5564031999485501
Energy: 0.5725756062854647
Energy: 0.5564031999479955
Energy: 0.5952753920549718
Energy: 0.6743313686636175
Energy: 0.5952753920549718
Energy: 0.6743313686636175
Energy: 0.5952753920555266
Energy: 0.6743313686630628
Energy: 0.5623974307242133
Energy: 0.6599232544815702
Energy: 0.562397430724768
Energy: 0.6599232544815702
Energy: 0.5623974307242133
Energy: 0.6599232544815702
Energy: 0.6584228296435412
Energy: 0.5577183534843634
Energy: 0.6584228296440959
Energy: 0.5577183534843634
Energy: 0.6584228296440959
Energy: 0.5577183534843634
Energy: 0.6585100472971347
Energy: 0.558128949188213
Energy: 0.65851004729658
Energy: 0.558128949188213
Energy: 0.6585100472971347
Energy: 0.5581289491887678
Energy: 0.5623618688774944
Energy: 0.6575338753205697
Energy: 0.5623618688774944
Energy: 0.657533875320015
Energy: 0.5623618688774944
Energy: 0.657533875320015
Energy: 0.5941913896672978
Energy: 0.6744084370341002
Energy: 0.594191389668962
Energy: 0.6744084370335455
Energy: 0.5941913896667431
Energy: 0.6744084370341002
Energy: 0.5725654243625645
Energy: 0.5564790479966256
Energy: 0.5725654243609003
Energy: 0.5564790479966256
Energy: 0.5725654243609003
Energy: 0.5564790479966256
Energy: 0.5569692083789036
Energy: 0.6577164501890295
Energy: 0.5569692083789036
Energy: 0.65771645018792
Energy: 0.5569692083794583
Energy: 0.6577164501890295
Energy: 0.5740418777818859
Energy: 0.5526812826479713
Energy: 0.5740418777813312
Energy: 0.5526812826468619
Energy: 0.5740418777818859
Energy: 0.5526812826474166
Energy: 0.6582635102803295
Energy: 0.674148085741944
Energy: 0.65826351027922
Energy: 0.6741480857413893
Energy: 0.6582635102797747
Energy: 0.6741480857424987
Energy: 0.6721992254855866
Energy: 0.5536380333366813
Energy: 0.6721992254855866
Energy: 0.5536380333366813
Energy: 0.6721992254855866
Energy: 0.5536380333366813
Energy: 0.5523988995423103
Energy: 0.5763821460552249
Energy: 0.5523988995417556
Energy: 0.5763821460546702
Energy: 0.5523988995417556
Energy: 0.5763821460546702
Energy: 0.5766331317397939
Energy: 0.5533379589329646
Energy: 0.5766331317386846
Energy: 0.5533379589329646
Energy: 0.5766331317381298
Energy: 0.5533379589329646
Energy: 0.5539165112037123
Energy: 0.5785916343962002
Energy: 0.5539165112020482
Energy: 0.5785916343884339
Energy: 0.5539165112075954
Energy: 0.578591634394536
Energy: 0.672219594759728
Energy: 0.5514277470884662
Energy: 0.672219594759728
Energy: 0.5514277470879115
Energy: 0.6722195947591733
Energy: 0.5514277470884662
Energy: 0.6584938370394173
Energy: 0.6742573290385329
Energy: 0.6584938370394173
Energy: 0.6742573290379781
Energy: 0.6584938370399721
Energy: 0.6742573290379781
Energy: 0.5767265691062885
Energy: 0.5525205253973678
Energy: 0.5767265691062885
Energy: 0.5525205253973678
Energy: 0.5767265691062885
Energy: 0.5525205253968132
Energy: 0.5569074995322163
Energy: 0.657687922446519
Energy: 0.5569074995327711
Energy: 0.657687922446519
Energy: 0.5569074995322163
Energy: 0.6576879224470736

minimum gb energy = 0.5514277470879115 eV
minimum distance =  2.60010493205813 Angstroms
sigma value = 19


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

Energy: 0.5836036937669398
Energy: 0.6873366683566281
Energy: 0.5836036937664827
Energy: 0.6873366683571068
Energy: 0.5836036937664827
Energy: 0.6873366683566281
Energy: 0.6472400242828145
Energy: 0.5971942112127459
Energy: 0.6472400242828145
Energy: 0.5971942112113093
Energy: 0.6472400242828145
Energy: 0.5971942112141823
Energy: 0.6419118487515989
Energy: 0.5705195415626798
Energy: 0.6419118487530135
Energy: 0.5705195415631586
Energy: 0.6419118487520559
Energy: 0.5705195415626798
Energy: 0.5508447866504235
Energy: 0.6187628206873607
Energy: 0.5508447866504235
Energy: 0.6187628206873607
Energy: 0.5508447866504235
Energy: 0.6187628206873607
Energy: 0.5977811631507636
Energy: 0.6414327083059969
Energy: 0.5977811631507636
Energy: 0.6414327083059969
Energy: 0.5977811631512423
Energy: 0.6414327083059969
Energy: 0.6128838018693777
Energy: 0.5596478179993267
Energy: 0.6128838018693777
Energy: 0.5596478179993267
Energy: 0.6128838018693777
Energy: 0.5596478179993267
Energy: 0.545952633103199
Energy: 0.6808050160480835
Energy: 0.5459526331046355
Energy: 0.6808050160480835
Energy: 0.5459526331041566
Energy: 0.6808050160480835
Energy: 0.5870809032689083
Energy: 0.680578883151436
Energy: 0.5870809032689083
Energy: 0.680578883151436
Energy: 0.5870809032689083
Energy: 0.680578883151436
Energy: 0.6207517736812017
Energy: 0.5430581780274905
Energy: 0.6207517736807229
Energy: 0.5430581780274905
Energy: 0.6207517736812017
Energy: 0.5430581780274905
Energy: 0.605774243794369
Energy: 0.6433406425643028
Energy: 0.6057742437934113
Energy: 0.6433406425643028
Energy: 0.6057742437934113
Energy: 0.6433406425643028
Energy: 0.553735115641869
Energy: 0.6607379808432567
Energy: 0.5537351156399535
Energy: 0.6607379808432567
Energy: 0.5537351156375594
Energy: 0.6607379808432567
Energy: 0.6656306543765528
Energy: 0.5568513667979923
Energy: 0.6656306543760738
Energy: 0.5568513667965559
Energy: 0.6656306543770316
Energy: 0.5568513667970347
Energy: 0.6701823019676417
Energy: 0.6304328864627256
Energy: 0.6701823019671628
Energy: 0.6304328864622468
Energy: 0.6701823019676417
Energy: 0.6304328864632044
Energy: 0.5591270695923207
Energy: 0.6077105248340897
Energy: 0.5591270695923207
Energy: 0.6077105248340897
Energy: 0.5591270695923207
Energy: 0.6077105248345686
Energy: 0.6697352156528793
Energy: 0.6337117654650519
Energy: 0.669735215653837
Energy: 0.6337117654655308
Energy: 0.669735215653837
Energy: 0.6337117654645732
Energy: 0.6449772895113831
Energy: 0.5443264615928702
Energy: 0.64497728950037
Energy: 0.5443264615923914
Energy: 0.644977289488878
Energy: 0.5443264615919127
Energy: 0.5560814765193421
Energy: 0.6429395942288387
Energy: 0.5560814765193421
Energy: 0.6429395942288387
Energy: 0.5560814765193421
Energy: 0.6429395942288387
Energy: 0.6494247816526179
Energy: 0.6654856912745762
Energy: 0.649424781652139
Energy: 0.6654856912745762
Energy: 0.6494247816526179
Energy: 0.6654856912745762
Energy: 0.6260083984008704
Energy: 0.5596319397831157
Energy: 0.6260083984018281
Energy: 0.5596319397831157
Energy: 0.6260083984013493
Energy: 0.5596319397840732
Energy: 0.5550324006907198
Energy: 0.6423286025389009
Energy: 0.5550324005911664
Energy: 0.6423286025389009
Energy: 0.5550324004681719
Energy: 0.6423286025393797
Energy: 0.5530735890513749
Energy: 0.6688927576001353
Energy: 0.5530735890513749
Energy: 0.6688927576006142
Energy: 0.5530735890513749
Energy: 0.668892757601093
Energy: 0.6438979972852437
Energy: 0.5500641061404691
Energy: 0.6438979972852437
Energy: 0.5500641061409479
Energy: 0.6438979972847648
Energy: 0.5500641061404691
Energy: 0.6432250882901263
Energy: 0.6434518601261097
Energy: 0.6432250882877321
Energy: 0.6434518594900255
Energy: 0.6432250882901263
Energy: 0.6434518599820467
Energy: 0.5827262307854553
Energy: 0.6299896057806057
Energy: 0.5827262307619925
Energy: 0.629989605780127
Energy: 0.5827262308179941
Energy: 0.629989605780127
Energy: 0.6382122865753421
Energy: 0.5537584487345512
Energy: 0.6382122865753421
Energy: 0.5537584487350299
Energy: 0.6382122865753421
Energy: 0.5537584487345512
Energy: 0.6857213879552829
Energy: 0.6052522096118668
Energy: 0.6857213879557618
Energy: 0.6052522096123456
Energy: 0.6857213879552829
Energy: 0.605252209611388
Energy: 0.5463923777869306
Energy: 0.6012605381075135
Energy: 0.5463923777864518
Energy: 0.6012605374905826
Energy: 0.5463923777869306
Energy: 0.6012605379835615
Energy: 0.637307776657598
Energy: 0.6225969961884253
Energy: 0.6373077766571191
Energy: 0.6225969961884253
Energy: 0.6373077766556827
Energy: 0.6225969961884253
Energy: 0.6506881515449605
Energy: 0.559844440757675
Energy: 0.6506881515440028
Energy: 0.5598444407567174
Energy: 0.6506881515401721
Energy: 0.5598444407562385

minimum gb energy = 0.5430581780274905 eV
minimum distance =  2.5831318997452 Angstroms
sigma value = 101


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

Energy: 0.5478372936927238
Energy: 0.6044353824344295
Energy: 0.5478372936931447
Energy: 0.6044353824340086
Energy: 0.5478372936927238
Energy: 0.6044353824344295
Energy: 0.6931468081759449
Energy: 0.5717097048759634
Energy: 0.6931468081763658
Energy: 0.578005178688263
Energy: 0.6931468081759449
Energy: 0.5914573555245578
Energy: 0.6333514876154079
Energy: 0.5210552428403527
Energy: 0.6333514876154079
Energy: 0.5210552428348999
Energy: 0.6333514876154079
Energy: 0.521055242829849
Energy: 0.5084227881711296
Energy: 0.6931156480995542
Energy: 0.5084227881711296
Energy: 0.6883835607774166
Energy: 0.5084227881711296
Energy: 0.6747941986393744
Energy: 0.5764762207661077
Energy: 0.5716237095040616
Energy: 0.5764762207665286
Energy: 0.5716237095032198
Energy: 0.5764762207665286
Energy: 0.5716237095011153
Energy: 0.6019735671206075
Energy: 0.514159408360737
Energy: 0.6019735671206075
Energy: 0.5141594083611579
Energy: 0.6019735671206075
Energy: 0.514159408360737
Energy: 0.6002447428692704
Energy: 0.667020182621118
Energy: 0.6002447428684287
Energy: 0.667020182621118
Energy: 0.6002447428692704
Energy: 0.667020182621118
Energy: 0.5242272639486395
Energy: 0.7063194868004512
Energy: 0.5242272639490604
Energy: 0.721231008454876
Energy: 0.5242272639486395
Energy: 0.6688119246559174
Energy: 0.6019834839353075
Energy: 0.5153462208539519
Energy: 0.6019834839348867
Energy: 0.5153462208543728
Energy: 0.6019834839348867
Energy: 0.5153462208543728
Energy: 0.5813040423771482
Energy: 0.637143534766577
Energy: 0.5813037560643929
Energy: 0.646830923433574
Energy: 0.5813039401171523
Energy: 0.6162361568413633
Energy: 0.5059483623531371
Energy: 0.6376634720307999
Energy: 0.5059483623531371
Energy: 0.6376634720307999
Energy: 0.5059483623531371
Energy: 0.6376634720312208
Energy: 0.7156087820903252
Energy: 0.5256402608589258
Energy: 0.7156087820907462
Energy: 0.5256402609081539
Energy: 0.7156087820903252
Energy: 0.5256402610137656
Energy: 0.6221034253094413
Energy: 0.521061537092993
Energy: 0.6221034253094413
Energy: 0.5210615370921511
Energy: 0.6221034253094413
Energy: 0.521061537092572
Energy: 0.5489939534369381
Energy: 0.6386144948779867
Energy: 0.5489939534369381
Energy: 0.6512629531036793
Energy: 0.5489939534369381
Energy: 0.6212935613255185
Energy: 0.6448585000628858
Energy: 0.56134874750756
Energy: 0.6448585000628858
Energy: 0.56134874750756
Energy: 0.6448585000628858
Energy: 0.5613487475084018
Energy: 0.6361550133049404
Energy: 0.5218334069968451
Energy: 0.6361550133053614
Energy: 0.5218334069964241
Energy: 0.6361550133049404
Energy: 0.5218334069968451
Energy: 0.5175636996854328
Energy: 0.6769019423861795
Energy: 0.5175636996854328
Energy: 0.6769019423853376
Energy: 0.5175636996854328
Energy: 0.6769019423861795
Energy: 0.5223186340799906
Energy: 0.6622361446038815
Energy: 0.5223186340791488
Energy: 0.6622361446038815
Energy: 0.5223186340795698
Energy: 0.6622361446038815
Energy: 0.6047705109219954
Energy: 0.5156349559060164
Energy: 0.6047705109241001
Energy: 0.5156349559043326
Energy: 0.6047705109211536
Energy: 0.5156349559064373
Energy: 0.6132320964761556
Energy: 0.6453050609895353
Energy: 0.6132320964761556
Energy: 0.6453050609912191
Energy: 0.6132320964761556
Energy: 0.6453050609958493
Energy: 0.5163657706020568
Energy: 0.6463269913720819
Energy: 0.5163657706020568
Energy: 0.6463269913695565
Energy: 0.5163657706020568
Energy: 0.6463269913720819
Energy: 0.7002031615722465
Energy: 0.5152753944203446
Energy: 0.7002031615722465
Energy: 0.5152753944203446
Energy: 0.7002031615722465
Energy: 0.5152753944199238
Energy: 0.6272651518917532
Energy: 0.5148102546056992
Energy: 0.627265151893016
Energy: 0.514810254606962
Energy: 0.6272651518925949
Energy: 0.514810254606962
Energy: 0.5079890736755688
Energy: 0.6033666864300401
Energy: 0.5079890736755688
Energy: 0.6033666864296192
Energy: 0.5079890736759897
Energy: 0.6033666864300401
Energy: 0.662138185188142
Energy: 0.5888955449501361
Energy: 0.6621381851902466
Energy: 0.5888955449497152
Energy: 0.6621381851898257
Energy: 0.5888955449488732
Energy: 0.619388686979956
Energy: 0.5217159378499426
Energy: 0.619388686979956
Energy: 0.5217159378495217
Energy: 0.6193886869795351
Energy: 0.5217159378495217
Energy: 0.5481018181714444
Energy: 0.6206750317628197
Energy: 0.5481018181718653
Energy: 0.6206750317628197
Energy: 0.5481018181714444
Energy: 0.6206750317628197
Energy: 0.6077706754532203
Energy: 0.6325360708425747
Energy: 0.6077706754801399
Energy: 0.6325360708345772
Energy: 0.6077706754633032
Energy: 0.6325360708429956
Energy: 0.6057327058542256
Energy: 0.5207259875546892
Energy: 0.6057327058542256
Energy: 0.5207259875546892
Energy: 0.6057327058546464
Energy: 0.5207259875546892
Energy: 0.5239632205152307
Energy: 0.601071478481872
Energy: 0.5239632205152307
Energy: 0.6010714864462802
Energy: 0.5239632205152307
Energy: 0.6010714789009135
Energy: 0.5186143164263503
Energy: 0.6050688614938105
Energy: 0.5186143164263503
Energy: 0.605068861501387
Energy: 0.5186143164263503
Energy: 0.6050688614938105
Energy: 0.6192821304812177
Energy: 0.5153781361327838
Energy: 0.6192821304816387
Energy: 0.515378136131942
Energy: 0.6192821304816387
Energy: 0.515378136131942
Energy: 0.7039150199175274
Energy: 0.5152844959335655
Energy: 0.7039150199175274
Energy: 0.5152844959310401
Energy: 0.7039150199175274
Energy: 0.5152844959318819

minimum gb energy = 0.5059483623531371 eV
minimum distance =  2.59534830669928 Angstroms
sigma value = 33


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

Energy: 0.011623129798239044
Energy: 0.4289263418903067
Energy: 0.011623129798239044
Energy: 0.4289263418903067
Energy: 0.011623129798239044
Energy: 0.4289263418903067
Energy: 0.013612020685503372
Energy: 0.9221441087526054
Energy: 0.013612020685503372
Energy: 0.9221441087529552
Energy: 0.013612020685503372
Energy: 0.9221441087526054
Energy: 0.8874731506668762
Energy: 0.21307659418263353
Energy: 0.4293871724106569
Energy: 0.2130765944782878
Energy: 0.4294066025694529
Energy: 0.21307659430670847
Energy: 0.013612020686183396
Energy: 0.9221441087522556
Energy: 0.013612020685833668
Energy: 0.9221441087522556
Energy: 0.013612020685833668
Energy: 0.9221441087522556

minimum gb energy = 0.011623129798239044 eV
minimum distance =  2.81684162671284 Angstroms
sigma value = 1