Model name: model_name=Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0415970236062995
cohesive_energy=3.3700537750426105
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012769111558518335
Energy: 0.7079987752931773
Energy: 0.48470335424845035
Energy: 0.708142496971203
Energy: 0.012769111559110148
Energy: 0.7079987752931773
Energy: 0.661353770113444
Energy: 0.30115173277925733
Energy: 0.013426712600848437
Energy: 0.8767019684949305
Energy: 0.013340490468778247
Energy: 0.3011517327784607
Energy: 0.013426712600461483
Energy: 0.8767019684957271
Energy: 0.012769111558518335
Energy: 0.7079987752933594
Energy: 0.48470335424865524
Energy: 0.7081424969714081
Energy: 0.012769111559110148
Energy: 0.7079987752931773
Energy: 0.6613537701130342
Energy: 0.30115173277925733
Energy: 0.013426712601258153
Energy: 0.8767019684945208
Energy: 0.013340490468596151
Energy: 0.3011517327784607
Energy: 0.013426712601258153
Energy: 0.876701968495932
Energy: 0.012769111558518335
Energy: 0.7079987752933594
Energy: 0.6613537701124425
Energy: 0.7081424969714081
Energy: 0.012769111559110148
Energy: 0.7079987752933594
Energy: 0.661353770113444
Energy: 0.3011517327794621
Energy: 0.013426712601053294
Energy: 0.8767019684947255
Energy: 0.013340490468778247
Energy: 0.3011517327786427
Energy: 0.013426712600051769
Energy: 0.876701968495932

minimum gb energy = 0.012769111558518335 eV
minimum distance =  2.67102443183957 Angstroms
sigma value = 5


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

Energy: 0.7732760820507363
Energy: 0.7856679285418416
Energy: 0.797556208002008
Energy: 0.8013707127208269
Energy: 0.7732760820531834
Energy: 0.7856679285467358
Energy: 0.7975562080044551
Energy: 0.7503232007547487
Energy: 0.7744637928998258
Energy: 0.8013027471275566
Energy: 0.7805420429388793
Energy: 0.7503232007547487
Energy: 0.7744637928998258
Energy: 0.8013027471251095
Energy: 0.7413228345233975
Energy: 0.7488327168046924
Energy: 0.8269185604993523
Energy: 0.7475149272664598
Energy: 0.7413228345209504
Energy: 0.7488327168022453
Energy: 0.826918560494458
Energy: 0.7793913607759828
Energy: 0.7825295077995442
Energy: 0.7934173382263161
Energy: 0.7847486546737157
Energy: 0.779391360780877
Energy: 0.7825295078019914
Energy: 0.7934173382214219
Energy: 0.7239308435898584
Energy: 0.7147603799973619
Energy: 0.8331875679623889
Energy: 0.780427161842151
Energy: 0.7239308435898584
Energy: 0.714760379999809
Energy: 0.8331875679599418
Energy: 0.7524692798692695
Energy: 0.7699297278729184
Energy: 0.7887033687195772
Energy: 0.7717941580107173
Energy: 0.7524692798717166
Energy: 0.7699297278704712
Energy: 0.788703368714683
Energy: 0.728106251428637
Energy: 0.7701125744244546
Energy: 0.8780703325412821
Energy: 0.8270163889501847
Energy: 0.7281062514310841
Energy: 0.7701125744293488
Energy: 0.8693106625564598
Energy: 0.7303767763130403
Energy: 0.7447926259885377
Energy: 0.8691227988769143
Energy: 0.7619523417544173
Energy: 0.7303767763105932
Energy: 0.7447926259836879
Energy: 0.8691227988793613
Energy: 0.7178047841887399
Energy: 0.7755867183665744
Energy: 0.8434584429537948
Energy: 0.732349860475507
Energy: 0.7178047841911871
Energy: 0.7755867183641273
Energy: 0.8434584429489451
Energy: 0.7167347395447412
Energy: 0.8262079121775946
Energy: 0.8550793234884596
Energy: 0.7575314386531018
Energy: 0.7167347395471884
Energy: 0.8262079121751474
Energy: 0.8550793234909068
Energy: 0.7376099536746434
Energy: 0.7565798233844894
Energy: 0.8126850823347835
Energy: 0.7773515198737715
Energy: 0.7376099536746434
Energy: 0.7565798233820422
Energy: 0.8126850823396776
Energy: 0.7592577834515566
Energy: 0.8030623933733168
Energy: 0.8652371490417139
Energy: 0.7313036560364006
Energy: 0.7592577834564064
Energy: 0.8030623933733168
Energy: 0.8652371490417139
Energy: 0.7820817619169739
Energy: 0.77494499783014
Energy: 0.7945105278716005
Energy: 0.7832835893871305
Energy: 0.7820817619218682
Energy: 0.7749449978276929
Energy: 0.7945105278716005
Energy: 0.7525102973083684
Energy: 0.7646201417586673
Energy: 0.7998169200897415
Energy: 0.7470103610175313
Energy: 0.7525102973108155
Energy: 0.7646201417562202
Energy: 0.7998169200921886
Energy: 0.7226355096039064
Energy: 0.7956578388943888
Energy: 0.813386010652896
Energy: 0.7280880684727986
Energy: 0.7226355096014594
Energy: 0.7956578388943888
Energy: 0.8133860106455546
Energy: 0.7744331997841198
Energy: 0.7750821606249447
Energy: 0.855409424333876
Energy: 0.8274072088530035
Energy: 0.7744331997890141
Energy: 0.7750821606200504
Energy: 0.8554094243265347
Energy: 0.7245326726675597
Energy: 0.7623209919396013
Energy: 0.8390798041837032
Energy: 0.7899935699469108
Energy: 0.7245326726724539
Energy: 0.7623209919420485
Energy: 0.8390798041861504
Energy: 0.7256533110744571
Energy: 0.7454334900811713
Energy: 0.8603380534430062
Energy: 0.7300082021061468
Energy: 0.7256533110793514
Energy: 0.7454334900811713
Energy: 0.860338053438112
Energy: 0.7365822095334943
Energy: 0.7632726798019601
Energy: 0.8380338479566091
Energy: 0.7465243639439655
Energy: 0.7365822095359414
Energy: 0.7632726798068544
Energy: 0.8380338479566091
Energy: 0.734882835591536
Energy: 0.7134720089392881
Energy: 0.8318674485412763
Energy: 0.8018420749404414
Energy: 0.7348828355890888
Energy: 0.7134720089441822
Energy: 0.8318674485437234
Energy: 0.7276162195352353
Energy: 0.8103645099135851
Energy: 0.7973994707282661
Energy: 0.7486571323905215
Energy: 0.7276162195376824
Energy: 0.8103645099135851
Energy: 0.7973994707258192
Energy: 0.7242970676099906
Energy: 0.7793486193152901
Energy: 0.8623938013937503
Energy: 0.7643444839374328
Energy: 0.7242970676075434
Energy: 0.7793486193177372
Energy: 0.8623938013961975
Energy: 0.7288209547928677
Energy: 0.7473391125533669
Energy: 0.8610750544450914
Energy: 0.7642771824933366
Energy: 0.728820954797762
Energy: 0.7473391125582612
Energy: 0.86107505443775
Energy: 0.744236110489889
Energy: 0.7878816263843681
Energy: 0.8059464442930321
Energy: 0.770750831181079
Energy: 0.7442361104874419
Energy: 0.7878816263867706
Energy: 0.8059464442979262
Energy: 0.7429484019335442
Energy: 0.7693525442924446
Energy: 0.8189360262625999
Energy: 0.7595344616696185
Energy: 0.7429484019286499
Energy: 0.7693525442924446
Energy: 0.8189360262601528
Energy: 0.7522897236548998
Energy: 0.7780778166745507
Energy: 0.7734630938451971
Energy: 0.7840307881956874
Energy: 0.7522897236475585
Energy: 0.7780778166745507
Energy: 0.7734630938500913
Energy: 0.7598117296817606
Energy: 0.7685613052095187
Energy: 0.774106798039013
Energy: 0.7359525541989026
Energy: 0.7598117296817606
Energy: 0.7685613052095187
Energy: 0.7741067980365659
Energy: 0.8245812170625306
Energy: 0.8159518599597627
Energy: 0.7796809006514087
Energy: 0.8361476177651371
Energy: 0.8245812170747662
Energy: 0.8159518599622099
Energy: 0.7796809006416202
Energy: 0.7438160816837612
Energy: 0.7539154397631768
Energy: 0.8344623269849187
Energy: 0.7692140110655498
Energy: 0.7438160816862084
Energy: 0.7539154397533883
Energy: 0.8344623269873659
Energy: 0.7326834251967494
Energy: 0.7991437447865977
Energy: 0.8454031375304403
Energy: 0.7615234638891395
Energy: 0.7326834251991966
Energy: 0.7991437447817034
Energy: 0.8454031375353346
Energy: 0.7431369546511123
Energy: 0.7581141772035912
Energy: 0.8831421619213783
Energy: 0.8078377184081124
Energy: 0.7431369546560066
Energy: 0.7581141772133797
Energy: 0.8831421619238254
Energy: 0.7379030186058332
Energy: 0.7462075747773521
Energy: 0.8084721206745386
Energy: 0.7755191699148045
Energy: 0.7379030186058332
Energy: 0.7462075747773521
Energy: 0.8084721206720914
Energy: 0.7345206391296137
Energy: 0.7608964270431023
Energy: 0.8695515831678244
Energy: 0.7547763837049623
Energy: 0.7345206391320609
Energy: 0.7608964270479966
Energy: 0.869551583160483
Energy: 0.7411781010546126
Energy: 0.7549376827746256
Energy: 0.8433837882315144
Energy: 0.7704739471499256
Energy: 0.7411781010546126
Energy: 0.7549376827746256
Energy: 0.8433837882364087
Energy: 0.717557279375097
Energy: 0.7355968744357426
Energy: 0.7698632054445256
Energy: 0.8038639421320126
Energy: 0.7175572793775441
Energy: 0.7355968744357426
Energy: 0.7698632054469727
Energy: 0.726292803009826
Energy: 0.7993447410736618
Energy: 0.8576317510967584
Energy: 0.7355752145296097
Energy: 0.726292803009826
Energy: 0.7993447410712147
Energy: 0.8576317510894169
Energy: 0.7178752021275892
Energy: 0.7560877825207498
Energy: 0.8768398162303006
Energy: 0.7639666335239298
Energy: 0.7178752021251421
Energy: 0.7560877825158555
Energy: 0.8768398162303006
Energy: 0.7277907854434011
Energy: 0.7400327070002688
Energy: 0.8553546249601517
Energy: 0.7595243011546182
Energy: 0.7277907854507425
Energy: 0.7400327070002688
Energy: 0.855354624965046
Energy: 0.7282552743040603
Energy: 0.7917082145827411
Energy: 0.8313406206268785
Energy: 0.7807100648338056
Energy: 0.7282552743040603
Energy: 0.7917082145778469
Energy: 0.8313406206317727
Energy: 0.7727738009341301
Energy: 0.7960669453442291
Energy: 0.8319853608194193
Energy: 0.7750605233883011
Energy: 0.7727738009317273
Energy: 0.7960669453491234
Energy: 0.8319853608218664
Energy: 0.7431930097802494
Energy: 0.7354655555070794
Energy: 0.7975465638925169
Energy: 0.7797622198775611
Energy: 0.7431930097826965
Energy: 0.7354655555070794
Energy: 0.7975465638998583
Energy: 0.7718016940258813
Energy: 0.7471813594288778
Energy: 0.7881303749039869
Energy: 0.7304005416774191
Energy: 0.7718016940307756
Energy: 0.7471813594313249
Energy: 0.7881303749088366
Energy: 0.7831487537496489
Energy: 0.7690483129954153
Energy: 0.7828144037549742
Energy: 0.8013616341853874
Energy: 0.7831487537447547
Energy: 0.7690483129905211
Energy: 0.7828144037574214
Energy: 0.7507318084844546
Energy: 0.7407872848641627
Energy: 0.8642625033838002
Energy: 0.7798838565864114
Energy: 0.7507318084869017
Energy: 0.7407872848641627
Energy: 0.864262503381353
Energy: 0.7204953821699928
Energy: 0.7739132573959766
Energy: 0.8598367487673604
Energy: 0.7704757845000121
Energy: 0.7204953821675456
Energy: 0.7739132573959766
Energy: 0.8598367487722547
Energy: 0.7169550935473267
Energy: 0.7496672550039745
Energy: 0.8815299854408353
Energy: 0.842669299428693
Energy: 0.7169550935497738
Energy: 0.7496672550015273
Energy: 0.8815299854408353
Energy: 0.7178559869236141
Energy: 0.7697687869122316
Energy: 0.8346539956284404
Energy: 0.743554818642116
Energy: 0.7178559869211669
Energy: 0.7697687869048903
Energy: 0.8346539956308876

minimum gb energy = 0.7134720089392881 eV
minimum distance =  2.46466952192323 Angstroms
sigma value = 401


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

Energy: 0.8139610708565116
Energy: 0.8000284082931566
Energy: 0.8359329196286152
Energy: 0.8022721690077933
Energy: 0.8139610708584812
Energy: 0.8000284082948232
Energy: 0.8361710400827708
Energy: 0.7222346221168263
Energy: 0.7742230705036758
Energy: 0.8290886788325724
Energy: 0.7716022030319192
Energy: 0.7222346221179374
Energy: 0.774223070506706
Energy: 0.829088678830906
Energy: 0.7199010022990265
Energy: 0.7825119875091784
Energy: 0.8037110437626902
Energy: 0.7278073310091125
Energy: 0.7199010022979155
Energy: 0.7825119875105925
Energy: 0.8037110437651649
Energy: 0.7357848596132268
Energy: 0.7943601847286393
Energy: 0.7873727132148304
Energy: 0.7630974040907689
Energy: 0.7357848596113077
Energy: 0.7943601847303059
Energy: 0.7818045931005619
Energy: 0.7109635080535097
Energy: 0.7517846052298831
Energy: 0.8055072817176187
Energy: 0.7666522455661815
Energy: 0.7109635080546207
Energy: 0.7517846052293277
Energy: 0.805507281715952
Energy: 0.7211174467897368
Energy: 0.7425503911556497
Energy: 0.8446304671203455
Energy: 0.8080594982911924
Energy: 0.7211174467902922
Energy: 0.7425503911531246
Energy: 0.8446304671200424
Energy: 0.743808528979859
Energy: 0.7364573556891187
Energy: 0.8345864414524987
Energy: 0.7220322947549869
Energy: 0.7438085289823843
Energy: 0.7364573556893713
Energy: 0.8268562099862656
Energy: 0.7500898229751183
Energy: 0.8067166791865621
Energy: 0.8531870062122748
Energy: 0.7508736857686628
Energy: 0.7500898229754213
Energy: 0.8067166791845924
Energy: 0.8531870062106082
Energy: 0.7208085069653262
Energy: 0.7665709755728559
Energy: 0.7891030889937533
Energy: 0.7420519656856313
Energy: 0.7208085069678515
Energy: 0.7665709755700783
Energy: 0.789103088996531
Energy: 0.7461407441120818
Energy: 0.8436347714474294
Energy: 0.7942134513265396
Energy: 0.7407994304853911
Energy: 0.7461407441078899
Energy: 0.8436347714487931
Energy: 0.7713957452428266
Energy: 0.7249507487973997
Energy: 0.8060257728041408
Energy: 0.8035244832504044
Energy: 0.7560052709943864
Energy: 0.7249507487973997
Energy: 0.8060257728046964
Energy: 0.8035244832528792
Energy: 0.70539161059007
Energy: 0.7379673151578365
Energy: 0.8499489126744744
Energy: 0.7737326387389688
Energy: 0.7053916105939588
Energy: 0.7379673151561699
Energy: 0.8385902187925125
Energy: 0.740986601532729
Energy: 0.7778766454569158
Energy: 0.88059260131061
Energy: 0.7945256803116315
Energy: 0.7409866015319208
Energy: 0.7778766454558048
Energy: 0.8704433678438506
Energy: 0.7915066428683845
Energy: 0.8000284082934597
Energy: 0.8284476000482759
Energy: 0.8022721690080964
Energy: 0.7915066428764148
Energy: 0.8000284082945707
Energy: 0.8361710400833262
Energy: 0.7222346221168263
Energy: 0.7742230705047869
Energy: 0.8290886788331281
Energy: 0.783791685271218
Energy: 0.72223462211819
Energy: 0.7742230705064534
Energy: 0.8290886788317644
Energy: 0.719901002297663
Energy: 0.7825119875097338
Energy: 0.8037110437632458
Energy: 0.7278073310099207
Energy: 0.7199010022982185
Energy: 0.782511987511148
Energy: 0.8037110437638012
Energy: 0.7357848596137823
Energy: 0.760640317623543
Energy: 0.7818045930994508
Energy: 0.7630974040896578
Energy: 0.7357848596118632
Energy: 0.7606403176224319
Energy: 0.7818045931000063
Energy: 0.7109635080540652
Energy: 0.7478832272283213
Energy: 0.8055072817176187
Energy: 0.7666522455672927
Energy: 0.7109635080538128
Energy: 0.747883227225796
Energy: 0.8055072817137299
Energy: 0.7211182109969322
Energy: 0.7425503911553468
Energy: 0.8446304671211535
Energy: 0.8080594982920004
Energy: 0.7211182109969322
Energy: 0.7425503911539831
Energy: 0.8446304671197901
Energy: 0.7471565684936675
Energy: 0.7364573556896743
Energy: 0.8268562099865183
Energy: 0.7220322947552394
Energy: 0.7471565684933645
Energy: 0.7364573556899268
Energy: 0.8268562099845991
Energy: 0.7500703475353416
Energy: 0.806716679186259
Energy: 0.8531870062122748
Energy: 0.7561460519656472
Energy: 0.7500703475362002
Energy: 0.8067166791840368
Energy: 0.8531870062114161
Energy: 0.7208085069650738
Energy: 0.7665709755737146
Energy: 0.7943480541486984
Energy: 0.7420519656856313
Energy: 0.7208085069672959
Energy: 0.7665709755695227
Energy: 0.7943480541470317
Energy: 0.7461407441112232
Energy: 0.8436347714479848
Energy: 0.8026366824881127
Energy: 0.7407994304853911
Energy: 0.7461407441095566
Energy: 0.8436347714490959
Energy: 0.7637987639729341
Energy: 0.7249507487973997
Energy: 0.8064727805665778
Energy: 0.7987315822072443
Energy: 0.756005270995245
Energy: 0.7249507487979552
Energy: 0.8064727805707698
Energy: 0.8035244832534345
Energy: 0.7053316942176814
Energy: 0.7379673151564728
Energy: 0.861134699690332
Energy: 0.7737326387389688
Energy: 0.7053316942199035
Energy: 0.7379673151570285
Energy: 0.8611346996947764
Energy: 0.7341101172333393
Energy: 0.7778766454563603
Energy: 0.8874102697780942
Energy: 0.7945256803116315
Energy: 0.7341101172372281
Energy: 0.7778766454561077
Energy: 0.8648421882825077
Energy: 0.8139610708568145
Energy: 0.8000284082934597
Energy: 0.8369321054352992
Energy: 0.8022721690077933
Energy: 0.8139610708584812
Energy: 0.8000284082951262
Energy: 0.8361710400838819
Energy: 0.7222346221159677
Energy: 0.7742230705047869
Energy: 0.8290886788339866
Energy: 0.7716022030305052
Energy: 0.7222346221176345
Energy: 0.7742230705075646
Energy: 0.829088678832017
Energy: 0.7199010022993296
Energy: 0.7825119875105925
Energy: 0.8037110437623872
Energy: 0.7278073310096682
Energy: 0.719901002297663
Energy: 0.7825119875105925
Energy: 0.8037110437649123
Energy: 0.7357848596124188
Energy: 0.7943601847286393
Energy: 0.7818045930983396
Energy: 0.7630974040902133
Energy: 0.7357848596121662
Energy: 0.7943601847308616
Energy: 0.7818045931003094
Energy: 0.7109635080535097
Energy: 0.7517846052309943
Energy: 0.8055072817176187
Energy: 0.7666522455670401
Energy: 0.7109635080549237
Energy: 0.751784605228772
Energy: 0.8055072817139823
Energy: 0.7211174467897368
Energy: 0.7425503911542357
Energy: 0.8446304671211535
Energy: 0.8080594982923034
Energy: 0.7211174467900399
Energy: 0.74255039115368
Energy: 0.8446304671205981
Energy: 0.7438085289804145
Energy: 0.7364573556899268
Energy: 0.8268562099848515
Energy: 0.722032294756098
Energy: 0.7438085289818287
Energy: 0.7364573556902299
Energy: 0.8268562099868212
Energy: 0.7500898229751183
Energy: 0.8067166791865621
Energy: 0.8531870062119717
Energy: 0.7508736857678547
Energy: 0.7500898229759767
Energy: 0.8067166791845924
Energy: 0.8531870062111637
Energy: 0.7208085069645183
Energy: 0.766570975573159
Energy: 0.7972861312650933
Energy: 0.7420519656858838
Energy: 0.7208085069672959
Energy: 0.7665709755689671
Energy: 0.7877009179398149
Energy: 0.7461407441112232
Energy: 0.8436347714493484
Energy: 0.8068086828323651
Energy: 0.7407994304856438
Energy: 0.7461407441084453
Energy: 0.8436347714482374
Energy: 0.7646319697861592
Energy: 0.7249507487982582
Energy: 0.8060257728044439
Energy: 0.8287495614904754
Energy: 0.756005270994942
Energy: 0.7249507487979552
Energy: 0.8060257728041408
Energy: 0.7943851202689598
Energy: 0.7053916105908781
Energy: 0.7379673151572809
Energy: 0.8680544635276364
Energy: 0.7737326387384134
Energy: 0.7053916105934033
Energy: 0.7379673151559172
Energy: 0.8611346996942207
Energy: 0.7409866015321733
Energy: 0.7778766454572188
Energy: 0.8874102697780942
Energy: 0.7945256803108234
Energy: 0.7409866015310622
Energy: 0.7778766454555524
Energy: 0.8720043613705656
Energy: 0.7915066428683845
Energy: 0.8000284082923486
Energy: 0.8369321054361577
Energy: 0.8022721690089044
Energy: 0.7915066428767179
Energy: 0.8000284082970455
Energy: 0.8284476000477203
Energy: 0.7222346221165233
Energy: 0.7742230705042313
Energy: 0.8290886788331281
Energy: 0.7837916852715211
Energy: 0.7222346221176345
Energy: 0.774223070506706
Energy: 0.829088678830906

minimum gb energy = 0.7053316942176814 eV
minimum distance =  2.4879414022764 Angstroms
sigma value = 311


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

Energy: 0.7965019775149992
Energy: 0.7396984537805354
Energy: 0.8321649690886798
Energy: 0.7637011646023011
Energy: 0.7965019775153199
Energy: 0.7396984537795733
Energy: 0.8321649690883589
Energy: 0.7648491022615304
Energy: 0.7946261402749125
Energy: 0.8302798904268338
Energy: 0.7758959487155815
Energy: 0.7648491022612096
Energy: 0.7946261402752333
Energy: 0.8302798904261923
Energy: 0.7489932180755958
Energy: 0.796458932016223
Energy: 0.8468419352200365
Energy: 0.746138952372987
Energy: 0.7489932180746335
Energy: 0.7964589320165438
Energy: 0.8442054376748551
Energy: 0.7327563562469376
Energy: 0.7531583959790272
Energy: 0.850212144454651
Energy: 0.7681841077166348
Energy: 0.7327563562462961
Energy: 0.7531583959796688
Energy: 0.8502121444530472
Energy: 0.7593929479686627
Energy: 0.7550107831944302
Energy: 0.8690981741188075
Energy: 0.7945183032480899
Energy: 0.7593929479677004
Energy: 0.7550107831944302
Energy: 0.856609484262871
Energy: 0.713266754863982
Energy: 0.7397764401089129
Energy: 0.8215611560728772
Energy: 0.7733884581574254
Energy: 0.713266754863982
Energy: 0.7397764401079506
Energy: 0.8215611560725565
Energy: 0.7357888776980233
Energy: 0.8131877172328863
Energy: 0.8222826654891329
Energy: 0.7971960166244784
Energy: 0.735788877697061
Energy: 0.8131877172328863
Energy: 0.8222826654888122
Energy: 0.7373141902339764
Energy: 0.7908432258526323
Energy: 0.8519402839836483
Energy: 0.7650759024935491
Energy: 0.7373141902339764
Energy: 0.7908432258519908
Energy: 0.851940283983969
Energy: 0.7473101097252954
Energy: 0.7408589350254475
Energy: 0.8422757879284904
Energy: 0.7989333775455547
Energy: 0.7473101097259369
Energy: 0.7408589350254475
Energy: 0.8405154794417127
Energy: 0.7353500296912596
Energy: 0.7898664001817987
Energy: 0.8497205558152748
Energy: 0.7862241189481162
Energy: 0.7353500296915803
Energy: 0.789866400181157
Energy: 0.8497205558159162
Energy: 0.7753891236751872
Energy: 0.8062136497449774
Energy: 0.827015012955142
Energy: 0.7582306582443644
Energy: 0.7753891236745456
Energy: 0.8062136497452983
Energy: 0.8270150129557835
Energy: 0.7525306772288562
Energy: 0.7828858305906417
Energy: 0.8360555519794224
Energy: 0.8043654258669173
Energy: 0.7525306772282148
Energy: 0.7828858305890382
Energy: 0.8360555519784602
Energy: 0.726106345163267
Energy: 0.7800065342507279
Energy: 0.7733273297244532
Energy: 0.7809963325235125
Energy: 0.72610634516455
Energy: 0.7800065342500865
Energy: 0.7733273297250945
Energy: 0.7316721438263808
Energy: 0.7730267031938312
Energy: 0.8409275847772549
Energy: 0.7628120858729325
Energy: 0.7316721438254185
Energy: 0.7730267031944726
Energy: 0.8409275847766136
Energy: 0.7391151239780064
Energy: 0.7415959774629932
Energy: 0.8104870805284646
Energy: 0.7710238524887736
Energy: 0.7391151239780064
Energy: 0.7415959774629932
Energy: 0.8104870805294269
Energy: 0.758293011499464
Energy: 0.7534818604492924
Energy: 0.8453332959343403
Energy: 0.7955059126089685
Energy: 0.758293011499464
Energy: 0.7534818604496132
Energy: 0.8453332959356232
Energy: 0.766015248695896
Energy: 0.7568154968363986
Energy: 0.8359580153157512
Energy: 0.7873241926871224
Energy: 0.766015248695896
Energy: 0.7568154968357571
Energy: 0.8359580153167134
Energy: 0.7320981942185423
Energy: 0.8104307559840744
Energy: 0.8691334305690307
Energy: 0.7691015762927209
Energy: 0.7320981942185423
Energy: 0.8104307559847159
Energy: 0.8691334305690307
Energy: 0.7176031979794849
Energy: 0.8094674220904973
Energy: 0.83571964512962
Energy: 0.7447343732109296
Energy: 0.7176031979794849
Energy: 0.8094674220914595
Energy: 0.83571964512962
Energy: 0.7276341300524715
Energy: 0.7754121281155223
Energy: 0.847203409346591
Energy: 0.7486066808731663
Energy: 0.72763413005183
Energy: 0.775412128115843
Energy: 0.8472034093456288
Energy: 0.7464830361816436
Energy: 0.8050185630032723
Energy: 0.8246047255664333
Energy: 0.7715789524775368
Energy: 0.7464830361819643
Energy: 0.8050185630039138
Energy: 0.8247540590413551
Energy: 0.7239061257885465
Energy: 0.7730819076262647
Energy: 0.8343533637073431
Energy: 0.7664563106623196
Energy: 0.7239061257885465
Energy: 0.773081907627227
Energy: 0.834353363707664
Energy: 0.77606424826198
Energy: 0.7534940907404123
Energy: 0.8460031231277845
Energy: 0.7930689056284372
Energy: 0.7760642482610177
Energy: 0.753494090740733
Energy: 0.846003123128105
Energy: 0.7327030488716835
Energy: 0.7973601292665586
Energy: 0.8303014601102826
Energy: 0.7936872889197532
Energy: 0.7327030488729664
Energy: 0.7973601292665586
Energy: 0.8303014601099619
Energy: 0.771217272397022
Energy: 0.7438759404896731
Energy: 0.7949485039443298
Energy: 0.746095972955239
Energy: 0.7712172723963805
Energy: 0.7438759404899938
Energy: 0.7949485039449713
Energy: 0.768816898894647
Energy: 0.825870585341082
Energy: 0.8314435070487999
Energy: 0.7923165322116364
Energy: 0.7688168988933639
Energy: 0.825870585341082
Energy: 0.8314435070484791
Energy: 0.7966092776342465
Energy: 0.7489773221768731
Energy: 0.8297525818792549
Energy: 0.7599496343674443
Energy: 0.7966092776345672
Energy: 0.7489773221765524
Energy: 0.8297525818782927
Energy: 0.7571566937410881
Energy: 0.7914245649056726
Energy: 0.8266567505483159
Energy: 0.8062769613211066
Energy: 0.7571566937410881
Energy: 0.7914245649056726
Energy: 0.8266567505495991
Energy: 0.7546687995210534
Energy: 0.7816525568384322
Energy: 0.8442970881759541
Energy: 0.7711617570557867
Energy: 0.7546687995223363
Energy: 0.7816525568384322
Energy: 0.8442970881759541
Energy: 0.7326430572459242
Energy: 0.7620298044511546
Energy: 0.845258858192799
Energy: 0.7590384497340732
Energy: 0.7326430572472071
Energy: 0.7620298044498718
Energy: 0.8452588581921574
Energy: 0.7596865526559277
Energy: 0.7553584321103001
Energy: 0.872777086881623
Energy: 0.7770342607932245
Energy: 0.7596865526568899
Energy: 0.7553584321099792
Energy: 0.8727770868803401
Energy: 0.7441401024835271
Energy: 0.7464760921102601
Energy: 0.8223426714463437
Energy: 0.7702816887814097
Energy: 0.7441401024828856
Energy: 0.7464760921099393
Energy: 0.8223426714463437
Energy: 0.7380799447061642
Energy: 0.8153430534859631
Energy: 0.8399551881835438
Energy: 0.7911360958799193
Energy: 0.7380799447058435
Energy: 0.8153430534853217
Energy: 0.8192595294259147
Energy: 0.72221660095657
Energy: 0.7783177502932853
Energy: 0.8474000637326528
Energy: 0.7625235870907976
Energy: 0.7222166009575324
Energy: 0.778317750294889
Energy: 0.8474000637339356
Energy: 0.736330310400445
Energy: 0.7552693294330497
Energy: 0.8368405424322487
Energy: 0.7831178968079789
Energy: 0.7363303104010867
Energy: 0.7552693294324082
Energy: 0.836840542431928
Energy: 0.7332426842229752
Energy: 0.7915807495481479
Energy: 0.8540321592573166
Energy: 0.7861499777468789
Energy: 0.7332426842236167
Energy: 0.7915807495481479
Energy: 0.8540321592563543

minimum gb energy = 0.713266754863982 eV
minimum distance =  2.44541050617465 Angstroms
sigma value = 39


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

Energy: 0.6583051133453633
Energy: 0.6832625414138663
Energy: 0.8832837494696424
Energy: 0.6831891654589481
Energy: 0.6583051133476346
Energy: 0.6832625414127308
Energy: 0.8321793281581761
Energy: 0.6408850247856647
Energy: 0.7586574894916762
Energy: 0.7401767864846002
Energy: 0.7658414089776302
Energy: 0.6408850247875573
Energy: 0.758657489490919
Energy: 0.7401767864842215
Energy: 0.6582723657236398
Energy: 0.63417397056602
Energy: 0.7965160687096076
Energy: 0.7545948664897373
Energy: 0.6582723657259111
Energy: 0.6341739705667772
Energy: 0.7643469943287583
Energy: 0.7402727470201126
Energy: 0.7586535010764652
Energy: 0.7412101593745338
Energy: 0.7596173915079243
Energy: 0.7402727470182199
Energy: 0.7586535010723012
Energy: 0.7412101593786977
Energy: 0.6991832598804241
Energy: 0.7112198191780842
Energy: 0.8015679140269095
Energy: 0.7544550388642638
Energy: 0.6991832598834524
Energy: 0.7112198191761915
Energy: 0.8015679140242598
Energy: 0.7400669506054331
Energy: 0.7522770254442694
Energy: 0.852624501638881
Energy: 0.7485348109770718
Energy: 0.7400669506061558
Energy: 0.7522770254442694
Energy: 0.8526245016400167
Energy: 0.7719653099812922
Energy: 0.7175243461712121
Energy: 0.7491849500289107
Energy: 0.8233237016869465
Energy: 0.7719653099809136
Energy: 0.717524346168941
Energy: 0.7093409129268317
Energy: 0.8113068827964219
Energy: 0.7334378628304138
Energy: 0.8521383366746168
Energy: 0.7334075713661927
Energy: 0.8113068827964219
Energy: 0.7334378628288996
Energy: 0.8521383366742382
Energy: 0.7719056960441296
Energy: 0.823220923539587
Energy: 0.7922743667717226
Energy: 0.717539793254317
Energy: 0.7719056960433726
Energy: 0.8232209235403442
Energy: 0.7922743667721011
Energy: 0.7400910682205032
Energy: 0.7485683785613452
Energy: 0.8527647897679478
Energy: 0.7522682046533833
Energy: 0.7400910682155821
Energy: 0.7485683785617238
Energy: 0.852764789770976
Energy: 0.6991945114055172
Energy: 0.754397101402208
Energy: 0.8752963638538899
Energy: 0.7114937098236876
Energy: 0.6991945114047602
Energy: 0.7543971014052364
Energy: 0.8447999942093216
Energy: 0.7403126570188631
Energy: 0.759085252537871
Energy: 0.741398020538207
Energy: 0.7586515281514271
Energy: 0.7403126570196201
Energy: 0.7590852525352213
Energy: 0.7413980205385854
Energy: 0.6584953263391566
Energy: 0.7545878993091197
Energy: 0.7806539612642146
Energy: 0.6343141511064662
Energy: 0.658495326339535
Energy: 0.7545878993057129
Energy: 0.7730896186605695
Energy: 0.6411121918752634
Energy: 0.7655573767578834
Energy: 0.739755884906041
Energy: 0.7586357732013727
Energy: 0.6411121918726135
Energy: 0.7655573767593975
Energy: 0.7397558849064196
Energy: 0.6583051133449849
Energy: 0.6832625414134879
Energy: 0.8967010989946045
Energy: 0.6831891654589481
Energy: 0.6583051133480131
Energy: 0.6832625414134879
Energy: 0.8886027944947308
Energy: 0.640885024784529
Energy: 0.7586574894924333
Energy: 0.7401767864849785
Energy: 0.7658414089768731
Energy: 0.6408850247871788
Energy: 0.758657489490919
Energy: 0.740176786483843
Energy: 0.6582723657228828
Energy: 0.63417397056602
Energy: 0.7643469943276227
Energy: 0.7545948664893589
Energy: 0.6582723657228828
Energy: 0.6341739705671556
Energy: 0.7643469943283797
Energy: 0.7402727470193554
Energy: 0.7586535010760869
Energy: 0.7412101593737768
Energy: 0.7596173915071672
Energy: 0.7402727470170843
Energy: 0.7586535010726799
Energy: 0.7412101593783192
Energy: 0.6991832598800456
Energy: 0.7112198191784628
Energy: 0.801567914026531
Energy: 0.7544550388638853
Energy: 0.6991832598830738
Energy: 0.7112198191758129
Energy: 0.8015679140242598
Energy: 0.7400669506054331
Energy: 0.7522770254442694
Energy: 0.852624501638881
Energy: 0.748534810976693
Energy: 0.7400669506054331
Energy: 0.7522770254450265
Energy: 0.8526245016400167
Energy: 0.7719653099812922
Energy: 0.7175243461715907
Energy: 0.6979308127603082
Energy: 0.8233237016869465
Energy: 0.7719653099805351
Energy: 0.7175243461693194
Energy: 0.6979308127599299
Energy: 0.8113068827964219
Energy: 0.7334378628304138
Energy: 0.8521383366757523
Energy: 0.7334075713661927
Energy: 0.8113068827964219
Energy: 0.7334378628292783
Energy: 0.8521383366742382
Energy: 0.7719056960445081
Energy: 0.8232209235407227
Energy: 0.7793285383474757
Energy: 0.7175397932550741
Energy: 0.7719056960445081
Energy: 0.8232209235403442
Energy: 0.8078378704956427
Energy: 0.7400910682205032
Energy: 0.7485683785613452
Energy: 0.8527647897675691
Energy: 0.7522682046537619
Energy: 0.7400910682144466
Energy: 0.7485683785617238
Energy: 0.8527647897713546
Energy: 0.6991945114051386
Energy: 0.7543971014025866
Energy: 0.8451919413164427
Energy: 0.7114937098240662
Energy: 0.6991945114047602
Energy: 0.7543971014048578
Energy: 0.8451919413153071
Energy: 0.7403126570192416
Energy: 0.7590852525359784
Energy: 0.7413980205385854
Energy: 0.7586515281514271
Energy: 0.7403126570199987
Energy: 0.7590852525359784
Energy: 0.7413980205385854
Energy: 0.6584953263383994
Energy: 0.7545878993091197
Energy: 0.8075953722830053
Energy: 0.6343141511057091
Energy: 0.6584953263402922
Energy: 0.7545878993057129
Energy: 0.7976259039172277
Energy: 0.6411121918741276
Energy: 0.7655573767578834
Energy: 0.7397558849049054
Energy: 0.7586357732013727
Energy: 0.6411121918760204
Energy: 0.7655573767597761
Energy: 0.7397558849064196
Energy: 0.6583051133449849
Energy: 0.6832625414134879
Energy: 0.8828771422976367
Energy: 0.6831891654585698
Energy: 0.658305113347256
Energy: 0.6832625414127308
Energy: 0.8740237863937478
Energy: 0.6408850247852861
Energy: 0.7586574894920546
Energy: 0.7401767864842215
Energy: 0.7658414089772517
Energy: 0.6408850247871788
Energy: 0.758657489490919
Energy: 0.7401767864834644

minimum gb energy = 0.63417397056602 eV
minimum distance =  2.57386831381342 Angstroms
sigma value = 21


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

Energy: 0.7073962416455047
Energy: 0.8117969643863153
Energy: 0.8338977610251352
Energy: 0.8117790568268493
Energy: 0.7073962416441261
Energy: 0.8117969643867748
Energy: 0.8338977610255948
Energy: 0.6686351456779648
Energy: 0.6620368177148193
Energy: 0.8070619464078567
Energy: 0.6492086225131268
Energy: 0.6686351456775053
Energy: 0.6620368177139002
Energy: 0.8070619464078567
Energy: 0.7456624231421
Energy: 0.7047018371601318
Energy: 0.8029153489626162
Energy: 0.6422938230950712
Energy: 0.7456624231425595
Energy: 0.7047018371592128
Energy: 0.8029153489626162
Energy: 0.7700597215184005
Energy: 0.6936155866580511
Energy: 0.8793826303316268
Energy: 0.6753362854240269
Energy: 0.7700597215193195
Energy: 0.6936155866585108
Energy: 0.8793826303330055
Energy: 0.7032878284473282
Energy: 0.6707541325285262
Energy: 0.788586352577438
Energy: 0.7700654028045211
Energy: 0.7032878284482473
Energy: 0.6707541325303642
Energy: 0.7885863525756209
Energy: 0.7698363715659804
Energy: 0.7035554277835958
Energy: 0.823782058478798
Energy: 0.6980418077884395
Energy: 0.769836371565521
Energy: 0.7035554277831363
Energy: 0.8237820584783385
Energy: 0.779822457488759
Energy: 0.7585460783307179
Energy: 0.7270105157496609
Energy: 0.6915731638257844
Energy: 0.7798224574882995
Energy: 0.7585460783330156
Energy: 0.7270105157492015
Energy: 0.7127553328987186
Energy: 0.7487737579136953
Energy: 0.8075847736046795
Energy: 0.6769675538972593
Energy: 0.7127553328996377
Energy: 0.7487737579132357
Energy: 0.8075847736051391
Energy: 0.7798464626827123
Energy: 0.6981423229944856
Energy: 0.7250466226477068
Energy: 0.7705803773611475
Energy: 0.7798464626817933
Energy: 0.6981423229935666
Energy: 0.7250466226477068
Energy: 0.7891416869582822
Energy: 0.6201157473677456
Energy: 0.8032438332216479
Energy: 0.7150456385390931
Energy: 0.7891416869578436
Energy: 0.620115747369124
Energy: 0.8032438332211883
Energy: 0.7796749948467144
Energy: 0.7418089639180808
Energy: 0.8010008013543973
Energy: 0.7237119816452718
Energy: 0.779674994847174
Energy: 0.7418089639176214
Energy: 0.8010008013530189
Energy: 0.7223955281456663
Energy: 0.7588388126873222
Energy: 0.7024397361146262
Energy: 0.7670543124370987
Energy: 0.7223955281442878
Energy: 0.7588388126877817
Energy: 0.7024397361132476
Energy: 0.7744701335423707
Energy: 0.755196730640136
Energy: 0.715269572650551
Energy: 0.6952360140235287
Energy: 0.7744701335428302
Energy: 0.755196730640136
Energy: 0.7152695726519296
Energy: 0.6973958048874603
Energy: 0.7256818800397469
Energy: 0.7064721482898224
Energy: 0.7499388756222857
Energy: 0.6973958048883794
Energy: 0.7256818800411255
Energy: 0.7064721482907413
Energy: 0.7521239400722349
Energy: 0.7432719859037096
Energy: 0.7961380733287128
Energy: 0.6488555102385495
Energy: 0.7521239400736134
Energy: 0.7432719859041691
Energy: 0.7961380733305509
Energy: 0.6359226936574216
Energy: 0.7415384300526756
Energy: 0.7367191543156337
Energy: 0.7177737988733249
Energy: 0.6359226936574216
Energy: 0.7415384300526756
Energy: 0.7367191543147147
Energy: 0.7264333100723219
Energy: 0.6774505316985444
Energy: 0.8302256417874458
Energy: 0.6491976727408094
Energy: 0.7264333100727814
Energy: 0.6774505316990038
Energy: 0.8302256417883649
Energy: 0.648258415399278
Energy: 0.6435060157750282
Energy: 0.7960776946475823
Energy: 0.7396177752332188
Energy: 0.6482584154001971
Energy: 0.6435060157754877
Energy: 0.7960776946480419
Energy: 0.7760069756244771
Energy: 0.6774280768838498
Energy: 0.8294621539558232
Energy: 0.699503935570715
Energy: 0.7760069756267748
Energy: 0.6774280768838498
Energy: 0.8294621539553638
Energy: 0.641260403721962
Energy: 0.7208910991581191
Energy: 0.7166638495767282
Energy: 0.7207970949449615
Energy: 0.641260403721962
Energy: 0.7208910991576598
Energy: 0.7166638495758091
Energy: 0.7755542814476953
Energy: 0.6995085143905049
Energy: 0.8320244055777826
Energy: 0.6773602165970694
Energy: 0.7755542814467762
Energy: 0.6995085143895858
Energy: 0.8320244055782422
Energy: 0.6483705323605896
Energy: 0.7409521221950612
Energy: 0.7960667368200248
Energy: 0.6434424365831476
Energy: 0.6483705323619682
Energy: 0.7409521221941421
Energy: 0.7960667368186461
Energy: 0.7264960902480915
Energy: 0.6732600445508061
Energy: 0.8263684693489582
Energy: 0.6774500966346104
Energy: 0.7264960902480915
Energy: 0.6732600445531036
Energy: 0.8263684693489582
Energy: 0.6339931668911828
Energy: 0.7178508694216927
Energy: 0.7386178329855582
Energy: 0.7420508034358678
Energy: 0.6339931668907232
Energy: 0.7178508694212332
Energy: 0.7386178329864772
Energy: 0.7521773351689696
Energy: 0.6487532322985945
Energy: 0.8361622798468317
Energy: 0.7432502307745348
Energy: 0.7521773351694291
Energy: 0.6487532322995134
Energy: 0.8361622798459126

minimum gb energy = 0.6201157473677456 eV
minimum distance =  2.47189063852266 Angstroms
sigma value = 113


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

Energy: 0.7920799032492744
Energy: 0.8124625740482938
Energy: 0.8436683659307775
Energy: 0.8126235658085806
Energy: 0.7920799032459637
Energy: 0.8124625740464754
Energy: 0.8396226073502658
Energy: 0.780178843309506
Energy: 0.7735538891360447
Energy: 0.818966753382064
Energy: 0.790344765771843
Energy: 0.7801788433123505
Energy: 0.7735538891367908
Energy: 0.8189667533736239
Energy: 0.8046737650743585
Energy: 0.7725733722087631
Energy: 0.8304318034460935
Energy: 0.7938944701432243
Energy: 0.8046737650725401
Energy: 0.7725733722069911
Energy: 0.815876402464013
Energy: 0.7439249658249751
Energy: 0.791051971113727
Energy: 0.8630380149463627
Energy: 0.8211836643216065
Energy: 0.7439249658282858
Energy: 0.7910519711142401
Energy: 0.8630380149481346
Energy: 0.795615010895782
Energy: 0.7679785649780243
Energy: 0.8088611340800053
Energy: 0.7556565589925303
Energy: 0.7956150108986264
Energy: 0.7679785649782574
Energy: 0.7951913168979176
Energy: 0.7418451671650719
Energy: 0.7528116518581525
Energy: 0.8304593645447064
Energy: 0.7787448288265247
Energy: 0.7418451671643258
Energy: 0.7528116518637946
Energy: 0.8304593645452192
Energy: 0.7996583455743065
Energy: 0.7702877679570841
Energy: 0.8314295776395219
Energy: 0.7666963213152911
Energy: 0.7996583455686641
Energy: 0.770287767951675
Energy: 0.8209946516562273
Energy: 0.7453929733798872
Energy: 0.7610615224651933
Energy: 0.7998454426368514
Energy: 0.7665733927086809
Energy: 0.7453929733804001
Energy: 0.7610615224672449
Energy: 0.7998454426399291
Energy: 0.7994335436005305
Energy: 0.743831888237885
Energy: 0.8199698469699401
Energy: 0.7572173909642315
Energy: 0.799433543597453
Energy: 0.7438318882440401
Energy: 0.8199698469691474
Energy: 0.7762589647422211
Energy: 0.769279507510968
Energy: 0.8134095587703031
Energy: 0.7533698919077408
Energy: 0.7762589647445526
Energy: 0.7692795075132529
Energy: 0.8134095587716088
Energy: 0.7936432029691949
Energy: 0.7647215772753113
Energy: 0.7951039533084013
Energy: 0.7543424299671744
Energy: 0.7936432029725523
Energy: 0.7647215772750783
Energy: 0.7951039533135306
Energy: 0.785008040979828
Energy: 0.7565883658185378
Energy: 0.8491081194730675
Energy: 0.7815673005048794
Energy: 0.7850080409859831
Energy: 0.7565883658149474
Energy: 0.8491081194722748
Energy: 0.7965053375443658
Energy: 0.7605800802582132
Energy: 0.7978973621908548
Energy: 0.7581841738022806
Energy: 0.7965053375461845
Energy: 0.7605800802543428
Energy: 0.7978973621875441
Energy: 0.7833786230149525
Energy: 0.8032838051688477
Energy: 0.8608139899899553
Energy: 0.7954266169261875
Energy: 0.7833786230172841
Energy: 0.8032838051719253
Energy: 0.8608139899958307
Energy: 0.79442526336219
Energy: 0.7456510675864949
Energy: 0.8609731772238577
Energy: 0.7865183201555339
Energy: 0.7944252633611641
Energy: 0.7456510675885466
Energy: 0.8470587735384753
Energy: 0.7802521990347878
Energy: 0.7671791108732238
Energy: 0.831717312694641
Energy: 0.7808233858881376
Energy: 0.7802521990291456
Energy: 0.7671791108773274
Energy: 0.8317173126974855
Energy: 0.795532468129407
Energy: 0.7679055944547585
Energy: 0.8550743111116872
Energy: 0.7474881404258391
Energy: 0.7955324681266093
Energy: 0.7679055944596547
Energy: 0.8550743111116872
Energy: 0.7352643549981326
Energy: 0.7681638597605828
Energy: 0.8380351501738974
Energy: 0.7826545643728282
Energy: 0.735264354995055
Energy: 0.7681638597592771
Energy: 0.8380351501754363
Energy: 0.8009688192836447
Energy: 0.7655025049357401
Energy: 0.8174670528553061
Energy: 0.7638671843303029
Energy: 0.8009688192800543
Energy: 0.7655025049403565
Energy: 0.8174670528553061
Energy: 0.7661675137001757
Energy: 0.761917679875913
Energy: 0.8700399456124713
Energy: 0.7697540782904433
Energy: 0.7661675137014812
Energy: 0.7619176798754
Energy: 0.8700399456134973
Energy: 0.7834093554232331
Energy: 0.7769490699808367
Energy: 0.8150575198051778
Energy: 0.7817319888884152
Energy: 0.78340935542272
Energy: 0.7769490699849401
Energy: 0.8150575198067166
Energy: 0.7634364905490574
Energy: 0.7642558547021006
Energy: 0.8428394603682113
Energy: 0.7206527497489514
Energy: 0.7634364905487777
Energy: 0.764255854699256
Energy: 0.8428394603669523
Energy: 0.7886130492263543
Energy: 0.7308811010616616
Energy: 0.8511185411284995
Energy: 0.74945560689381
Energy: 0.7886130492248156
Energy: 0.7308811010626877
Energy: 0.8511185411251422
Energy: 0.7636909955410012
Energy: 0.7567187368246924
Energy: 0.8194912750364067
Energy: 0.7127792256497096
Energy: 0.7636909955376437
Energy: 0.7567187368264642
Energy: 0.8194912750378989
Energy: 0.7103178568182339
Energy: 0.7708573603643627
Energy: 0.8288854231153165
Energy: 0.8040670851542957
Energy: 0.7103178568230833
Energy: 0.7708573603661347
Energy: 0.8288854231142905
Energy: 0.7528510440972254
Energy: 0.7869121216887619
Energy: 0.8538543763892538
Energy: 0.7880798044316006
Energy: 0.7528510440959196
Energy: 0.7869121216925855
Energy: 0.8538543763841244
Energy: 0.7979883701010937
Energy: 0.7538131147938558
Energy: 0.7850910874874186
Energy: 0.7933201249881434
Energy: 0.7979883701028657
Energy: 0.7538131147912912
Energy: 0.7850910874933406
Energy: 0.7199143612949855
Energy: 0.8090511505465678
Energy: 0.8075933216331136
Energy: 0.766545640941522
Energy: 0.7199143612855196
Energy: 0.8090511505486194
Energy: 0.8075933216331136
Energy: 0.7519954043016693
Energy: 0.7442943294452414
Energy: 0.8183874577932938
Energy: 0.8005235813492465
Energy: 0.7519954043004101
Energy: 0.7442943294475264
Energy: 0.8183874577881645
Energy: 0.7564760036158514
Energy: 0.7610866044985918
Energy: 0.7601965600358865
Energy: 0.8000074625204086
Energy: 0.7564760036153385
Energy: 0.7610866044944885
Energy: 0.7601965600379383
Energy: 0.7601953172459678
Energy: 0.7593643410656514
Energy: 0.8407073015204717
Energy: 0.7829244937841158
Energy: 0.7601953172523561
Energy: 0.7593643410630867
Energy: 0.8407073015278858
Energy: 0.7349880457846969
Energy: 0.7518328022863606
Energy: 0.7789780465129238
Energy: 0.7734642689025231
Energy: 0.7349880457839042
Energy: 0.7518328022876664
Energy: 0.7789780465116647
Energy: 0.7313106896041035
Energy: 0.7092973499942206
Energy: 0.8328353324185059
Energy: 0.7798911663764704
Energy: 0.7313106896007462
Energy: 0.709297349991656
Energy: 0.8328353324248942
Energy: 0.7511154760776159
Energy: 0.7762137127073003
Energy: 0.7611368935486142
Energy: 0.745342591345974
Energy: 0.7511154760817194
Energy: 0.776213712709865
Energy: 0.7611368935393816
Energy: 0.7321765907204895
Energy: 0.7188142771423511
Energy: 0.8443372787514998
Energy: 0.7842955401118269
Energy: 0.7321765907189507
Energy: 0.7188142771402994
Energy: 0.8443372787517796
Energy: 0.7459982510654571
Energy: 0.7419720424022295
Energy: 0.7608100367262053
Energy: 0.7383486875893351
Energy: 0.7459982510623795
Energy: 0.7419720424053071
Energy: 0.7608100367207962
Energy: 0.6887022248191809
Energy: 0.728950377407604
Energy: 0.8132985276323613
Energy: 0.7614074299126338
Energy: 0.6887022248217455
Energy: 0.7289503774083969
Energy: 0.8132985276303094
Energy: 0.777742957941179
Energy: 0.7534662913836011
Energy: 0.7661351071259617
Energy: 0.7389208236524646
Energy: 0.7777429579393605
Energy: 0.7534662913743685
Energy: 0.7661351071231639
Energy: 0.6887475539852093
Energy: 0.7261509097569421
Energy: 0.8514372400289613
Energy: 0.771517866092101
Energy: 0.6887475539841834
Energy: 0.7261509097582478
Energy: 0.8514372400279353
Energy: 0.7505058328783925
Energy: 0.7732041769141418
Energy: 0.782948557547105
Energy: 0.7525214838411273
Energy: 0.7505058328768538
Energy: 0.7732041769131158
Energy: 0.7829485575447735
Energy: 0.778252020389958
Energy: 0.7444359647811198
Energy: 0.8537799318667011
Energy: 0.7727934700330732
Energy: 0.7782520203932686
Energy: 0.7444359647834047
Energy: 0.8537799318689859
Energy: 0.750662616994674
Energy: 0.7691126649408904
Energy: 0.8225696729045715
Energy: 0.7782728279478659
Energy: 0.7506626169943942
Energy: 0.7691126649427089
Energy: 0.8225696729094211
Energy: 0.7732267568113208
Energy: 0.7363480586194325
Energy: 0.8341157032699144
Energy: 0.7774066566411554
Energy: 0.7732267568148646
Energy: 0.7363480586181733
Energy: 0.8341157032758362
Energy: 0.7732482605291991
Energy: 0.7531521256018411
Energy: 0.8233634407300839
Energy: 0.7565791274327439
Energy: 0.7732482605250957
Energy: 0.7531521255990432
Energy: 0.8233634407285453
Energy: 0.704548268354678
Energy: 0.749804794941348
Energy: 0.8449743919016859
Energy: 0.7711835991751415
Energy: 0.7045482683623719
Energy: 0.7498047949433998
Energy: 0.8449743919049966

minimum gb energy = 0.6887022248191809 eV
minimum distance =  2.49670456518324 Angstroms
sigma value = 365


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

Energy: 0.740863204800499
Energy: 0.7419186125583768
Energy: 0.8344924839577575
Energy: 0.7419186125583768
Energy: 0.7408632047987643
Energy: 0.741918612558955
Energy: 0.6932550019647147
Energy: 0.7408632047999208
Energy: 0.7419186125595332
Energy: 0.8012229692504711
Energy: 0.7419186125595332
Energy: 0.7408632047993425
Energy: 0.741918612558955
Energy: 0.693255046928275
Energy: 0.7408632047993425
Energy: 0.741918612558955
Energy: 0.6678039311264614
Energy: 0.7419186125595332
Energy: 0.7408632047999208
Energy: 0.7419186125595332
Energy: 0.6932550385742199
Energy: 0.740863204800499
Energy: 0.7419186125583768
Energy: 0.6932970517890406
Energy: 0.741918612558955
Energy: 0.7408632047987643
Energy: 0.741918612558955
Energy: 0.6932550144905802
Energy: 0.7408632047999208
Energy: 0.7419186125601114
Energy: 0.8205005495768806
Energy: 0.7419186125595332
Energy: 0.7408632047993425
Energy: 0.7419186125595332
Energy: 0.6932550628428149
Energy: 0.7408632047987643
Energy: 0.7419186125595332
Energy: 0.6932553218328231
Energy: 0.741918612558955
Energy: 0.7408632047999208
Energy: 0.7419186125595332
Energy: 0.6932551409746136
Energy: 0.740863204800499
Energy: 0.7419186125583768
Energy: 0.6932552510459078
Energy: 0.7419186125583768
Energy: 0.7408632047993425
Energy: 0.7419186125595332
Energy: 0.6932550807276794
Energy: 0.7408632047999208
Energy: 0.7419186125595332
Energy: 0.6932552569192962
Energy: 0.7419186125595332
Energy: 0.7408632047993425
Energy: 0.7419186125595332
Energy: 0.6932551311398121
Energy: 0.7408632047987643
Energy: 0.7419186125601114
Energy: 0.6894069406124645
Energy: 0.741918612558955
Energy: 0.7408632047999208
Energy: 0.741918612558955
Energy: 0.6932551842545472
Energy: 0.7408632048016555
Energy: 0.741918612558955
Energy: 0.6932552920549677
Energy: 0.7419186125583768
Energy: 0.7408632047993425
Energy: 0.741918612558955
Energy: 0.6932551728268226
Energy: 0.740863204800499
Energy: 0.7419186125595332
Energy: 0.693255339461636
Energy: 0.741918612558955
Energy: 0.7408632047987643
Energy: 0.7419186125595332
Energy: 0.6932552161512537
Energy: 0.7408632047993425
Energy: 0.7419186125595332
Energy: 0.693255343614391
Energy: 0.741918612558955
Energy: 0.740863204800499
Energy: 0.7419186125595332
Energy: 0.6807752035620676
Energy: 0.7408632047999208
Energy: 0.7419186125583768
Energy: 0.6932552981029035
Energy: 0.7419186125583768
Energy: 0.7408632047999208
Energy: 0.7419186125595332
Energy: 0.680775182266004
Energy: 0.7408632047999208
Energy: 0.7419186125595332
Energy: 0.6932553326675449
Energy: 0.741918612558955
Energy: 0.7408632047999208
Energy: 0.7419186125595332
Energy: 0.6932552192671079
Energy: 0.7408632047987643
Energy: 0.7419186125595332
Energy: 0.693255398867059
Energy: 0.7419186125595332
Energy: 0.740863204800499
Energy: 0.7419186125595332
Energy: 0.6932552821201585
Energy: 0.7408632047999208
Energy: 0.741918612558955
Energy: 0.6932554271300524
Energy: 0.7419186125583768
Energy: 0.7408632047987643
Energy: 0.741918612558955
Energy: 0.6932553137550576
Energy: 0.7408632047999208
Energy: 0.741918612558955
Energy: 0.6932554297731233
Energy: 0.7419186125595332
Energy: 0.7408632047993425
Energy: 0.7419186125601114
Energy: 0.6932552626747782
Energy: 0.7408632047993425
Energy: 0.7419186125595332
Energy: 0.6932554322312389
Energy: 0.741918612558955
Energy: 0.7408632047999208
Energy: 0.7419186125595332
Energy: 0.6932553224576025
Energy: 0.7408632047993425
Energy: 0.741918612558955
Energy: 0.6932555187997533
Energy: 0.7419186125583768
Energy: 0.7408632047999208
Energy: 0.7419186125595332
Energy: 0.6932554109247672
Energy: 0.7408632047999208
Energy: 0.7419186125601114
Energy: 0.6932554679847771
Energy: 0.7419186125583768
Energy: 0.7408632047993425
Energy: 0.7419186125595332
Energy: 0.6932553879606891

minimum gb energy = 0.6678039311264614 eV
minimum distance =  2.62327233558009 Angstroms
sigma value = 23