Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_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=4.045353233814239
cohesive_energy=3.3603034700051637
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: 0.012702541733618136
Energy: 0.7032156094752344
Energy: 0.49116489660653606
Energy: 0.702924877907584
Energy: 0.012702541733004702
Energy: 0.70321560947503
Energy: 0.5914209541923543
Energy: 0.39691658452868817
Energy: 0.013238890436160045
Energy: 0.10794065390097043
Energy: 0.013250073498652381
Energy: 0.39691658452868817
Energy: 0.013238890436160045
Energy: 0.10794065390115218
Energy: 0.01270254173341366
Energy: 0.70321560947503
Energy: 0.491164896606945
Energy: 0.7029248779071977
Energy: 0.012702541732822944
Energy: 0.7032156094752344
Energy: 0.5914209541921499
Energy: 0.39691658452868817
Energy: 0.013238890436160045
Energy: 0.10794065390076596
Energy: 0.013250073498856856
Energy: 0.39691658452848366
Energy: 0.013238890436160045
Energy: 0.10794065390097043
Energy: 0.012702541733618136
Energy: 0.70321560947503
Energy: 0.5914209541923543
Energy: 0.7029248779071977
Energy: 0.012702541733004702
Energy: 0.7032156094752344
Energy: 0.5914209541921499
Energy: 0.39691658452889267
Energy: 0.013238890436364526
Energy: 0.10794065390076596
Energy: 0.013250073498470622
Energy: 0.39691658452848366
Energy: 0.013238890436160045
Energy: 0.10794065390097043

minimum gb energy = 0.012702541732822944 eV
minimum distance =  2.83091115827828 Angstroms
sigma value = 5


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

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Energy: 0.6796527868805664
Energy: 0.7401428440485623
Energy: 0.6794990187638322
Energy: 0.6550210382806543
Energy: 0.6796527868781238
Energy: 0.7401428440534474
Energy: 0.638730285227018
Energy: 0.6265288980157866
Energy: 0.6912597917109243
Energy: 0.6433169645059984
Energy: 0.6387302852245754
Energy: 0.626528897996246
Energy: 0.6912597917084817
Energy: 0.6255845750112652
Energy: 0.630075668055225
Energy: 0.7493773067592918
Energy: 0.6402293197883686
Energy: 0.6255845750088225
Energy: 0.630075668055225
Energy: 0.7382035884297659
Energy: 0.6550546517744824
Energy: 0.6474404186795785
Energy: 0.6993337903182015
Energy: 0.6219180839383829
Energy: 0.6550546517671546
Energy: 0.6474404186331695
Energy: 0.699333790276722
Energy: 0.6160131474534569
Energy: 0.6168068304924867
Energy: 0.6804395689911377
Energy: 0.640898245914309
Energy: 0.6160131474485717
Energy: 0.6168068304949292
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Energy: 0.6473911342740611
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Energy: 0.7536618641857203
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Energy: 0.6755121624670378
Energy: 0.7522015154000107
Energy: 0.6354749150485313
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Energy: 0.6584193193991018
Energy: 0.6352644744100067
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Energy: 0.6312322389117484
Energy: 0.658419319403987
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Energy: 0.6348416164621111
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Energy: 0.6460660724178223
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Energy: 0.751011267705158
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Energy: 0.6499016261482728
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Energy: 0.7352458994956729
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Energy: 0.7351070694939795
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Energy: 0.6433965911038184
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Energy: 0.6372184281400135
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Energy: 0.6563565343580736
Energy: 0.6437642391797375
Energy: 0.6372184280276993
Energy: 0.6751988710382573
Energy: 0.6420532475862508
Energy: 0.6334038964971159
Energy: 0.7117106059504604
Energy: 0.6430820826138061
Energy: 0.6420532475838081
Energy: 0.6334038964971159
Energy: 0.7117106061384499
Energy: 0.6766799626513935
Energy: 0.6359988977460308
Energy: 0.7119221847546725
Energy: 0.6493078156176385
Energy: 0.6766799626489509
Energy: 0.635998897750916
Energy: 0.71192218475223
Energy: 0.6349846077916299
Energy: 0.6417673026478398
Energy: 0.7049328617483026
Energy: 0.6601095845371777
Energy: 0.6349846077965149
Energy: 0.6417673026453972
Energy: 0.7049328618459612
Energy: 0.6183860395271603
Energy: 0.641766302290253
Energy: 0.7118338411613748
Energy: 0.6356433397515584
Energy: 0.6183860395296029
Energy: 0.6417663022878104
Energy: 0.7118338385782388
Energy: 0.6110763336421544
Energy: 0.6448424177420008
Energy: 0.7410522114991515
Energy: 0.6621743542981867
Energy: 0.6110763336421544
Energy: 0.6448424177420008
Energy: 0.7410522115039923
Energy: 0.6132033955059552
Energy: 0.6441452127221475
Energy: 0.6795045257158366
Energy: 0.6089430466797886
Energy: 0.6132033955059552
Energy: 0.6441452127245901
Energy: 0.6795045257109514

minimum gb energy = 0.6089430466797886 eV
minimum distance =  2.51259184678533 Angstroms
sigma value = 401


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

Energy: 0.6248217272585639
Energy: 0.6473324272755104
Energy: 0.7795163985583926
Energy: 0.6459527765774526
Energy: 0.624821727258816
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Energy: 0.7514509785553025
Energy: 0.6393913544689767
Energy: 0.6371183657716126
Energy: 0.6805563018072937
Energy: 0.640548689705583
Energy: 0.6393913544681701
Energy: 0.6371183662072604
Energy: 0.680556607605094
Energy: 0.6285032687101477
Energy: 0.6445865557052035
Energy: 0.6813025226851511
Energy: 0.6404790621993801
Energy: 0.6285032687110048
Energy: 0.6445865557043969
Energy: 0.6813025226823785
Energy: 0.6326488515864072
Energy: 0.657092454786514
Energy: 0.7165417089732057
Energy: 0.6471949535912508
Energy: 0.6326488515838866
Energy: 0.6570924547848505
Energy: 0.7165417089720967
Energy: 0.6306228473859635
Energy: 0.6541527313329996
Energy: 0.7708985296035858
Energy: 0.647920466621586
Energy: 0.6306228473867701
Energy: 0.6541527313329996
Energy: 0.7708985296024767
Energy: 0.6395738373348483
Energy: 0.6371540844406259
Energy: 0.7648983973449496
Energy: 0.650060625063608
Energy: 0.6395738373365117
Energy: 0.6371540844384079
Energy: 0.7873141605429463
Energy: 0.6212116294414839
Energy: 0.6474311852004601
Energy: 0.7143414398034391
Energy: 0.6623971678737075
Energy: 0.62121162944345
Energy: 0.6474311852018715
Energy: 0.7257456910020507
Energy: 0.6110292127124985
Energy: 0.6473324192909863
Energy: 0.6499741798935864
Energy: 0.6459527766960688
Energy: 0.611029212708869
Energy: 0.6473324267345549
Energy: 0.6499753846635691
Energy: 0.6244612553715576
Energy: 0.6616613845206648
Energy: 0.7088973320105081
Energy: 0.6485200472239234
Energy: 0.6244612553718096
Energy: 0.6616613845212194
Energy: 0.7088973320107602

minimum gb energy = 0.611029212708869 eV
minimum distance =  2.53257951215139 Angstroms
sigma value = 311


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

Energy: 0.7002747141514623
Energy: 0.6587481568609143
Energy: 0.7568490896104043
Energy: 0.6753092967537643
Energy: 0.7002747141511422
Energy: 0.6587481573719607
Energy: 0.7476573770220021
Energy: 0.6705747836654035
Energy: 0.6331281692462957
Energy: 0.7041235341991732
Energy: 0.6555348922762448
Energy: 0.6705747836650833
Energy: 0.6331281692488567
Energy: 0.7041235167664301
Energy: 0.6540926914168147
Energy: 0.6818705089598387
Energy: 0.7498392154406844
Energy: 0.665867927890167
Energy: 0.654092691417455
Energy: 0.6818705089601589
Energy: 0.7498392154410046
Energy: 0.6469532502601343
Energy: 0.6441286605126691
Energy: 0.7384369745699731
Energy: 0.6515799953158586
Energy: 0.6469532502601343
Energy: 0.6441286605318781
Energy: 0.738436974580218
Energy: 0.6565962949298659
Energy: 0.6671736798996487
Energy: 0.7244676476403159
Energy: 0.660128634777206
Energy: 0.6565962949292257
Energy: 0.6671736798932458
Energy: 0.7244676464950233
Energy: 0.6602082124870726
Energy: 0.6425668294532071
Energy: 0.7123843424220679
Energy: 0.6455250502544481
Energy: 0.6602082124870726
Energy: 0.6425668294532071
Energy: 0.7123843424608061
Energy: 0.6580921576355107
Energy: 0.7123684067881547
Energy: 0.7078039919783075
Energy: 0.6778160691574041
Energy: 0.658092157636471
Energy: 0.7123684067878346
Energy: 0.7005972453196404
Energy: 0.6577758775314038
Energy: 0.6570194502242751
Energy: 0.7543506687639295
Energy: 0.6534424923661146
Energy: 0.6577758775314038
Energy: 0.6570194502197929
Energy: 0.7543506688672942
Energy: 0.6431179757095441
Energy: 0.6470118620443513
Energy: 0.7458415459217337
Energy: 0.6607866660763997
Energy: 0.6431179757105047
Energy: 0.6470118620446714
Energy: 0.7308731319771884
Energy: 0.6581619699511231
Energy: 0.6987177576286379
Energy: 0.7265886069221467
Energy: 0.6871059408354679
Energy: 0.6581619699514432
Energy: 0.6987177576279975
Energy: 0.7265886069119019
Energy: 0.6793891054872221
Energy: 0.6579722507958021
Energy: 0.7425645926585083
Energy: 0.6393365224004296
Energy: 0.6793891054875423
Energy: 0.657972250795482
Energy: 0.7425645926271627
Energy: 0.6778036894096374
Energy: 0.6926934069195188
Energy: 0.6925635089637384
Energy: 0.6721947771689054
Energy: 0.6778036894096374
Energy: 0.692693406920159
Energy: 0.692563508964699
Energy: 0.6446432222135583
Energy: 0.6450200797237191
Energy: 0.7157714068231336
Energy: 0.6611019817367393
Energy: 0.6446432222138785
Energy: 0.6450200797249998
Energy: 0.7157714068237738
Energy: 0.641096269832676
Energy: 0.6766360622935965
Energy: 0.7616556109890146
Energy: 0.6710376613449225
Energy: 0.6410962698313954
Energy: 0.6766360622919958
Energy: 0.7616556109890146
Energy: 0.6658546483319748
Energy: 0.6491252591106647
Energy: 0.7165880389334602
Energy: 0.6476519079655039
Energy: 0.665854648332295
Energy: 0.6491252591109847
Energy: 0.7165880389344207
Energy: 0.6713658110228158
Energy: 0.6699874282668229
Energy: 0.6970744197892744
Energy: 0.6876744187036687
Energy: 0.671365811023456
Energy: 0.6699874282652222
Energy: 0.6970744196299127
Energy: 0.6823707647756888
Energy: 0.6409328800825346
Energy: 0.7154477121544067
Energy: 0.6463313001296729
Energy: 0.6823707647753687
Energy: 0.6409328800655666
Energy: 0.7154477112894201
Energy: 0.6606087761031996
Energy: 0.7122595828347296
Energy: 0.7565979762062746
Energy: 0.6553120974987905
Energy: 0.6606087761035198
Energy: 0.7122595828347296
Energy: 0.7565979762059545
Energy: 0.6419458448325827
Energy: 0.6614506377572007
Energy: 0.7305591612643056
Energy: 0.6561594194278033
Energy: 0.6419458448319423
Energy: 0.6614506377575208
Energy: 0.7305591612537699
Energy: 0.6561167013774332
Energy: 0.655154656544406
Energy: 0.7244219641881477
Energy: 0.6558552582268468
Energy: 0.6561167013780734
Energy: 0.6551546565440858
Energy: 0.7244219643039838
Energy: 0.6597098797418811
Energy: 0.6930571525902814
Energy: 0.6939191761002697
Energy: 0.6818668378923083
Energy: 0.6597098797412406
Energy: 0.6930571525896412
Energy: 0.7111876321045714
Energy: 0.66477243913318
Energy: 0.634568312588082
Energy: 0.7211531012807656
Energy: 0.6495049880120084
Energy: 0.6647724391325396
Energy: 0.6345683168970084
Energy: 0.7211531015607804
Energy: 0.6884472052304601
Energy: 0.6552537782152899
Energy: 0.7008235958695733
Energy: 0.6713457208180302
Energy: 0.6884472052307803
Energy: 0.6552538837733616
Energy: 0.700823595868613
Energy: 0.6543561130574732
Energy: 0.6516383974685838
Energy: 0.7207812531783826
Energy: 0.6536676094321472
Energy: 0.654356113059074
Energy: 0.6516383974682637
Energy: 0.7207812529831785
Energy: 0.6639475011362036
Energy: 0.6697110040683121
Energy: 0.7708199511939297
Energy: 0.6538495621670863
Energy: 0.6639475011362036
Energy: 0.6697110040686323
Energy: 0.7708199511932895
Energy: 0.6857399005992971
Energy: 0.6381816276032338
Energy: 0.7318723756624543
Energy: 0.6533144354182115
Energy: 0.6857399005992971
Energy: 0.6381816251244588
Energy: 0.7318723763002221
Energy: 0.7054593539648492
Energy: 0.6631991943197384
Energy: 0.7449457892001898
Energy: 0.6609056844930066
Energy: 0.705459353964529
Energy: 0.6631991943197384
Energy: 0.7573144672929135
Energy: 0.6885099035211905
Energy: 0.6389725396305377
Energy: 0.7046468899940888
Energy: 0.6368042175602322
Energy: 0.6885099035231114
Energy: 0.6389725396238146
Energy: 0.7046467724494891
Energy: 0.6702912759680251
Energy: 0.6664686744718226
Energy: 0.7400398598913593
Energy: 0.6589332666439526
Energy: 0.6702912759670646
Energy: 0.6664686744043
Energy: 0.74003985989264
Energy: 0.6500997015777956
Energy: 0.6433218974117807
Energy: 0.7243614035605085
Energy: 0.6327045975867829
Energy: 0.6500997015774755
Energy: 0.6433218974114606
Energy: 0.7243614035598682
Energy: 0.656850304353916
Energy: 0.6678779911815935
Energy: 0.7325927002739439
Energy: 0.6974611093055431
Energy: 0.6568503043535959
Energy: 0.6678779911812733
Energy: 0.7325927004160322
Energy: 0.6588445080104265
Energy: 0.6452937436310149
Energy: 0.7016589916206132
Energy: 0.6388525207253911
Energy: 0.6588445080107467
Energy: 0.6452937436332558
Energy: 0.701658991481086
Energy: 0.6645388606771967
Energy: 0.6925714676079573
Energy: 0.7019996877380409
Energy: 0.673448961492134
Energy: 0.6645388606768766
Energy: 0.6925714676079573
Energy: 0.7019996884468527
Energy: 0.6504613524580471
Energy: 0.650379164275263
Energy: 0.7438155710755066
Energy: 0.6375761566300384
Energy: 0.6504613524577271
Energy: 0.6503791642759034
Energy: 0.7438155710761468
Energy: 0.6511974550921077
Energy: 0.6415473054467193
Energy: 0.7251479509513105
Energy: 0.6443774180915897
Energy: 0.6511974550914674
Energy: 0.6415473054460792
Energy: 0.7251479509878075
Energy: 0.6594701547504999
Energy: 0.697187938391923
Energy: 0.7412224029570963
Energy: 0.7001702616172488
Energy: 0.6594701547492191
Energy: 0.6971879383928834
Energy: 0.7412224029593374

minimum gb energy = 0.6327045975867829 eV
minimum distance =  2.4869817150892 Angstroms
sigma value = 39


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

Energy: 0.6489658947198029
Energy: 0.6731080057915654
Energy: 0.6880599721225534
Energy: 0.6732386608290852
Energy: 0.6489658947201806
Energy: 0.6731080057915654
Energy: 0.658715939824211
Energy: 0.6590203766816389
Energy: 0.6552156557691803
Energy: 0.7747562134912931
Energy: 0.6556278051598532
Energy: 0.659020376681261
Energy: 0.6552156557684244
Energy: 0.7747562134916709
Energy: 0.6495034841390933
Energy: 0.6212226859653144
Energy: 0.649703084733684
Energy: 0.6994231400222383
Energy: 0.6495034841402268
Energy: 0.6212226859660699
Energy: 0.64970308472994
Energy: 0.645551206637722
Energy: 0.649277546783786
Energy: 0.6287434223962495
Energy: 0.6858814967476037
Energy: 0.6455512066354894
Energy: 0.649277546783786
Energy: 0.6287434223958717
Energy: 0.6613769277601683
Energy: 0.6430610962750448
Energy: 0.6497565693009099
Energy: 0.7000397780030487
Energy: 0.6613769277597905
Energy: 0.6430610962731557
Energy: 0.6497565693005319
Energy: 0.6476731553811298
Energy: 0.6885245528431406
Energy: 0.6681929150538347
Energy: 0.6850892184412458
Energy: 0.6476731553807519
Energy: 0.6885245528420071
Energy: 0.6681929150938511
Energy: 0.6979104971080751
Energy: 0.6852651328449583
Energy: 0.6522695484615287
Energy: 0.762105375605985
Energy: 0.6979104971080751
Energy: 0.6852651328468475
Energy: 0.6239162340033584
Energy: 0.6459479515967
Energy: 0.6606933211020951
Energy: 0.6811051567136182
Energy: 0.6612760215530887
Energy: 0.6459479515948451
Energy: 0.6606933211020951
Energy: 0.6811051567143738
Energy: 0.6979441379560662
Energy: 0.6846204438421074
Energy: 0.680269539582971
Energy: 0.6852553346837919
Energy: 0.6979441379530436
Energy: 0.6846204438417296
Energy: 0.6802695395844823
Energy: 0.6475304262622711
Energy: 0.6859087766124379
Energy: 0.6725694200546711
Energy: 0.6887911565064717
Energy: 0.6475304262622711
Energy: 0.6859087766147048
Energy: 0.6725694200558047
Energy: 0.661279993003945
Energy: 0.7043861309906592
Energy: 0.8159357611523895
Energy: 0.7595507172210706
Energy: 0.661279993003945
Energy: 0.7043861309921705
Energy: 0.8181243526124323
Energy: 0.6457188055271916
Energy: 0.6859249876544411
Energy: 0.6508970058200602
Energy: 0.6493197737262558
Energy: 0.6457188055287031
Energy: 0.6859249876574637
Energy: 0.6508970058185488
Energy: 0.6496079982749586
Energy: 0.6994778274224914
Energy: 0.6816969197786826
Energy: 0.6215602484178485
Energy: 0.64960799827647
Energy: 0.6994778274194686
Energy: 0.6582086613504667
Energy: 0.6592226624460781
Energy: 0.6554476846918393
Energy: 0.7750892684987589
Energy: 0.6497494942742572
Energy: 0.6592226624468337
Energy: 0.6554476846907058
Energy: 0.7750892684995145
Energy: 0.6489658947198029
Energy: 0.6731080057908098
Energy: 0.688059971912956
Energy: 0.6732386608302188
Energy: 0.6489658947209365
Energy: 0.6731080057915654
Energy: 0.6587159398268558
Energy: 0.6590203766820166
Energy: 0.6552156557684244
Energy: 0.7747562134909152
Energy: 0.6556278051609867
Energy: 0.6590203766808832
Energy: 0.6552156557691803
Energy: 0.7747562134912931
Energy: 0.6495034841383376
Energy: 0.6212226859660699
Energy: 0.6532583939476143
Energy: 0.6994231400222383
Energy: 0.6495034841402268
Energy: 0.6212226859656921
Energy: 0.6497030847322071
Energy: 0.6455512066373441
Energy: 0.6492775467841638
Energy: 0.6287434223951159
Energy: 0.6858814967483594
Energy: 0.6455512066362106
Energy: 0.649277546783786
Energy: 0.6287434223939824
Energy: 0.661376927760924
Energy: 0.6430610962739113
Energy: 0.6497565693009099
Energy: 0.7000397780030487
Energy: 0.6613769277594127
Energy: 0.6430610962735335
Energy: 0.6497565693012877
Energy: 0.6476731553807519
Energy: 0.6885245528431406
Energy: 0.6681929150791156
Energy: 0.6850892184404902
Energy: 0.6476731553815077
Energy: 0.6885245528423848
Energy: 0.66819291510632
Energy: 0.6979104971080751
Energy: 0.6852651328460918
Energy: 0.6239162340026025
Energy: 0.7621053756063629
Energy: 0.6979104971076971
Energy: 0.6852651328464697
Energy: 0.6239162340033584
Energy: 0.645947951597078
Energy: 0.6606933211017173
Energy: 0.6811051567132402
Energy: 0.6612760215538445
Energy: 0.6459479515951886
Energy: 0.6606933211020951
Energy: 0.681105156713996
Energy: 0.6979441379560662
Energy: 0.6846204438447523
Energy: 0.680269539582971
Energy: 0.6852553346837919
Energy: 0.6979441379530436
Energy: 0.6846204438455079
Energy: 0.6802695395844823
Energy: 0.6475304262626488
Energy: 0.6859087766139492
Energy: 0.6725694200546711
Energy: 0.6887911565064717
Energy: 0.6475304262622711
Energy: 0.6859087766139492
Energy: 0.6725694200542933
Energy: 0.661279993003945
Energy: 0.704386130991037
Energy: 0.8255582553532798
Energy: 0.7595507172222041
Energy: 0.661279993003945
Energy: 0.7043861309921705
Energy: 0.8209341217139261
Energy: 0.645718805526436
Energy: 0.6859249876544411
Energy: 0.6508970058196824
Energy: 0.6493197737273894
Energy: 0.6457188055279475
Energy: 0.6859249876582193
Energy: 0.6508970058193045
Energy: 0.6496079982749586
Energy: 0.6994778274221136
Energy: 0.6582086613519779
Energy: 0.6215602484182264
Energy: 0.64960799827647
Energy: 0.6994778274194686
Energy: 0.6582086613508443
Energy: 0.6592226624457002
Energy: 0.6554476846922173
Energy: 0.7750892684987589
Energy: 0.6497494942757683
Energy: 0.659222662446456
Energy: 0.6554476846907058
Energy: 0.7750892684998925
Energy: 0.6489658947201806
Energy: 0.6731080057915654
Energy: 0.6587159398298784
Energy: 0.6732386608287073
Energy: 0.6489658947198029
Energy: 0.6731080057915654
Energy: 0.6587159398317677
Energy: 0.659020376681261
Energy: 0.6552156557695581
Energy: 0.7747562134912931
Energy: 0.6556278051598532
Energy: 0.6590203766808832
Energy: 0.6552156557680469
Energy: 0.7747562134916709

minimum gb energy = 0.6212226859653144 eV
minimum distance =  2.52875161099697 Angstroms
sigma value = 21


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

Energy: 0.6629161890009588
Energy: 0.7256022891312314
Energy: 0.7762540757639914
Energy: 0.7284192514062912
Energy: 0.6629161890009588
Energy: 0.7256022891307727
Energy: 0.7762540757621567
Energy: 0.7098059115528673
Energy: 0.6823006192748384
Energy: 0.7203835202053913
Energy: 0.6792749935244792
Energy: 0.7098059115514913
Energy: 0.6823006192771319
Energy: 0.7203835202063086
Energy: 0.6647768918575653
Energy: 0.6743648242665071
Energy: 0.701563470471304
Energy: 0.6836231195655291
Energy: 0.6647768918571066
Energy: 0.6743648242655897
Energy: 0.7015634704717626
Energy: 0.7448537055225429
Energy: 0.6798659087306125
Energy: 0.7727255776453161
Energy: 0.6503974922161099
Energy: 0.7448537055225429
Energy: 0.6798659087315299
Energy: 0.7727255776457748
Energy: 0.6480666635697915
Energy: 0.7368944803321117
Energy: 0.6431180141359658
Energy: 0.7006817426314806
Energy: 0.6480666635693327
Energy: 0.7368944803275248
Energy: 0.643118014139635
Energy: 0.7377780170533507
Energy: 0.6932240161034119
Energy: 0.8092852397248672
Energy: 0.65193417181141
Energy: 0.7377780170533507
Energy: 0.6932240161038705
Energy: 0.8092852397248672
Energy: 0.6724216121122188
Energy: 0.739837476844008
Energy: 0.6659670652140283
Energy: 0.6616297869082045
Energy: 0.6724216121970328
Energy: 0.7398374768453839
Energy: 0.6659670652149456
Energy: 0.7128156982207448
Energy: 0.6746322273911344
Energy: 0.6970792582974858
Energy: 0.6606433234293161
Energy: 0.7128156982212033
Energy: 0.6746322211613772
Energy: 0.6970792582974858
Energy: 0.6998643036848923
Energy: 0.652057194048617
Energy: 0.6997781341997629
Energy: 0.7215365593957075
Energy: 0.6998643036853511
Energy: 0.6520571940481582
Energy: 0.6997781429401411
Energy: 0.7161777498249363
Energy: 0.6857389017166954
Energy: 0.7100015135965876
Energy: 0.7204484074997387
Energy: 0.716177749825395
Energy: 0.6857389017189888
Energy: 0.710001513596129
Energy: 0.715834136178516
Energy: 0.7047602201140084
Energy: 0.7414091020847821
Energy: 0.6729562681430626
Energy: 0.7158341361803507
Energy: 0.7047602201149259
Energy: 0.7414091020852406
Energy: 0.6709954212215508
Energy: 0.6840332252043847
Energy: 0.6918898629301026
Energy: 0.7446374065814421
Energy: 0.6709954212215508
Energy: 0.6840332252030089
Energy: 0.6918898629305613
Energy: 0.7292524029741456
Energy: 0.6987377039502513
Energy: 0.6817774967731495
Energy: 0.676059534320436
Energy: 0.7292524029741456
Energy: 0.6987377039502513
Energy: 0.6817774967758806
Energy: 0.667600709882741
Energy: 0.6830548122540828
Energy: 0.7073225051892501
Energy: 0.6997721749413542
Energy: 0.6676007098845758
Energy: 0.6830548122554589
Energy: 0.7073225061199515
Energy: 0.712057153764399
Energy: 0.6981537178383589
Energy: 0.6815721147631278
Energy: 0.669888080697351
Energy: 0.7120571537726552
Energy: 0.6981537178379003
Energy: 0.6815721147626692
Energy: 0.6302380638382761
Energy: 0.7047604803592293
Energy: 0.7082856958792102
Energy: 0.680719372267751
Energy: 0.630238063839652
Energy: 0.7047604803601468
Energy: 0.7082856967250977
Energy: 0.6946638016371457
Energy: 0.6708755258008723
Energy: 0.6410512939068299
Energy: 0.6704149936737537
Energy: 0.6946638016371457
Energy: 0.670875525802707
Energy: 0.6410512939072887
Energy: 0.6296472479374567
Energy: 0.6671280085623784
Energy: 0.6557927369834202
Energy: 0.7051671784130987
Energy: 0.629647247938374
Energy: 0.6671280085623784
Energy: 0.6557927369829615
Energy: 0.6692708429838814
Energy: 0.6543378984456225
Energy: 0.7287034048543057
Energy: 0.6657260413554473
Energy: 0.6692708429843401
Energy: 0.6543378984451638
Energy: 0.7287034048561405
Energy: 0.6252302866722109
Energy: 0.6975297382453763
Energy: 0.6420551238018629
Energy: 0.699328896301028
Energy: 0.6252302866726696
Energy: 0.6975297382449176
Energy: 0.6420551238004868
Energy: 0.6804509340135455
Energy: 0.6634746562096817
Energy: 0.7286617307401958
Energy: 0.6543227923147938
Energy: 0.680450934014004
Energy: 0.6634746562422271
Energy: 0.7286617307406545
Energy: 0.6303747633261964
Energy: 0.7053551979599757
Energy: 0.6560493739011972
Energy: 0.6673048932583715
Energy: 0.6303747633252789
Energy: 0.7053551979622691
Energy: 0.6560493739007386
Energy: 0.6909827437866837
Energy: 0.6687041163505678
Energy: 0.7359616161760267
Energy: 0.6702098311506132
Energy: 0.6909827437866837
Energy: 0.6687041163496505
Energy: 0.7359616161778614
Energy: 0.6307403385005032
Energy: 0.6727964166730228
Energy: 0.7059859399340458
Energy: 0.705389955002905
Energy: 0.6307403385000445
Energy: 0.6727964166757749
Energy: 0.705985939636947
Energy: 0.7361321149660545
Energy: 0.669932204331527
Energy: 0.721741068556255
Energy: 0.7145727308103628
Energy: 0.7361321149660545
Energy: 0.6699322043329031
Energy: 0.7217410685557962

minimum gb energy = 0.6252302866722109 eV
minimum distance =  2.50327668295413 Angstroms
sigma value = 113


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

Energy: 0.7117264698950543
Energy: 0.7099811461638974
Energy: 0.7446765572580413
Energy: 0.7097048530373
Energy: 0.7117264698937976
Energy: 0.7099811461633854
Energy: 0.7446765569279554
Energy: 0.6964635322685067
Energy: 0.675341956134764
Energy: 0.7268109192850531
Energy: 0.7274543420739408
Energy: 0.696463532263899
Energy: 0.6753419561375564
Energy: 0.7268109187075426
Energy: 0.725610584370377
Energy: 0.6956787714955935
Energy: 0.7305365175147444
Energy: 0.6848214998964929
Energy: 0.7256105843685619
Energy: 0.6956787722448025
Energy: 0.7305365175157683
Energy: 0.6782470037759061
Energy: 0.6940423930032533
Energy: 0.742511267528565
Energy: 0.7132625850602597
Energy: 0.6782470037746494
Energy: 0.6940423928077245
Energy: 0.7425112702045309
Energy: 0.7222523053008157
Energy: 0.6727652684522413
Energy: 0.6915273783476104
Energy: 0.6939946801518452
Energy: 0.7222523052997918
Energy: 0.6727652684532652
Energy: 0.6915273783463072
Energy: 0.6814029467366566
Energy: 0.7034159744772676
Energy: 0.7474984250942531
Energy: 0.6794935515062951
Energy: 0.6814029467371685
Energy: 0.7034159744662368
Energy: 0.7474984252360243
Energy: 0.7147766433415141
Energy: 0.6738489225206693
Energy: 0.6943929293067954
Energy: 0.6817493583571451
Energy: 0.7147766433415141
Energy: 0.6738489225214607
Energy: 0.6943929291315131
Energy: 0.6758929439928562
Energy: 0.7138112826116392
Energy: 0.7635688249204818
Energy: 0.6867450684528664
Energy: 0.67589294399644
Energy: 0.7138112826103826
Energy: 0.7635688249215058
Energy: 0.7138294636777309
Energy: 0.6819150464564351
Energy: 0.6999533398225314
Energy: 0.6695963126321701
Energy: 0.7138294636767069
Energy: 0.6819150464554112
Energy: 0.6999493334040513
Energy: 0.7005778405537098
Energy: 0.6940565316855285
Energy: 0.7602715329352873
Energy: 0.6885700947432039
Energy: 0.7005778405531978
Energy: 0.694056531693953
Energy: 0.7602715329352873
Energy: 0.715618173622203
Energy: 0.6960001499956581
Energy: 0.7561367332707887
Energy: 0.6715908621271741
Energy: 0.7156181736229478
Energy: 0.6960001499944013
Energy: 0.7561367332730693
Energy: 0.7011894559203007
Energy: 0.6974600628249749
Energy: 0.7796048721861096
Energy: 0.6922704549558428
Energy: 0.7011894559230933
Energy: 0.6974600628421028
Energy: 0.7796048721850858
Energy: 0.7154506522096233
Energy: 0.6994793397540574
Energy: 0.7433271315464449
Energy: 0.670194117759618
Energy: 0.7154506522103681
Energy: 0.6994793397535455
Energy: 0.7433271315459328
Energy: 0.7127945074736122
Energy: 0.7400269730543632
Energy: 0.7679023703340063
Energy: 0.7147767991505015
Energy: 0.7127945074431729
Energy: 0.740026973056923
Energy: 0.7679023703370782
Energy: 0.7151358040830023
Energy: 0.6991681011605855
Energy: 0.7695573485851169
Energy: 0.6907638195054404
Energy: 0.7151358040837934
Energy: 0.6991681011639367
Energy: 0.769557348584605
Energy: 0.721030716977892
Energy: 0.6981405939555965
Energy: 0.7700075439990566
Energy: 0.7044906324558263
Energy: 0.721030716981988
Energy: 0.6981405940553855
Energy: 0.7700075439992894
Energy: 0.7214604438016707
Energy: 0.6986802156285596
Energy: 0.7779204991494608
Energy: 0.6728732222613124
Energy: 0.7214604437999022
Energy: 0.6986802156270236
Energy: 0.7779204991471803
Energy: 0.6952756097491615
Energy: 0.7167936676889795
Energy: 0.7523066533011732
Energy: 0.6952542644057982
Energy: 0.6952756097468809
Energy: 0.7167936676907947
Energy: 0.752306653311692
Energy: 0.7161938038962115
Energy: 0.6975575140625004
Energy: 0.7398885264080782
Energy: 0.7002564816635868
Energy: 0.7161938039051479
Energy: 0.6975575140625004
Energy: 0.7398885264073335
Energy: 0.6714691608616216
Energy: 0.6946799445671569
Energy: 0.7619367362598591
Energy: 0.6797127307826686
Energy: 0.6714682057459618
Energy: 0.694679944560734
Energy: 0.7619367362598591
Energy: 0.6960694717566334
Energy: 0.6674884139063014
Energy: 0.7318191621023183
Energy: 0.692200766074083
Energy: 0.6960694717750645
Energy: 0.6674884139049981
Energy: 0.7318191621187017
Energy: 0.670901536773662
Energy: 0.6979877825286827
Energy: 0.7138223923601746
Energy: 0.6877040758446323
Energy: 0.6709013964041884
Energy: 0.6979877825302185
Energy: 0.7138223923578475
Energy: 0.7095085119844969
Energy: 0.663512767554312
Energy: 0.7494080371484992
Energy: 0.6913599768628325
Energy: 0.7095085119834731
Energy: 0.6635127675591991
Energy: 0.7494080371139175
Energy: 0.6884438438145115
Energy: 0.6591527538930597
Energy: 0.7194640901000791
Energy: 0.6990640992393831
Energy: 0.6884438438211672
Energy: 0.6591527682161371
Energy: 0.7194640900936561
Energy: 0.7151005844540412
Energy: 0.7001265112773754
Energy: 0.7093887029665953
Energy: 0.7177890301853416
Energy: 0.7151005844535293
Energy: 0.7001265112791905
Energy: 0.7093887029735302
Energy: 0.6687756605675285
Energy: 0.6930912874994715
Energy: 0.742512057583714
Energy: 0.663086408132247
Energy: 0.6687759336889979
Energy: 0.6930912874961669
Energy: 0.7425120575888338
Energy: 0.7273442636601287
Energy: 0.6705352386610726
Energy: 0.7188217818778591
Energy: 0.7266512921006717
Energy: 0.7273442636593374
Energy: 0.6705352361179415
Energy: 0.718821781879395
Energy: 0.6686321460448066
Energy: 0.7147011098827242
Energy: 0.7787747479508699
Energy: 0.7100375235907376
Energy: 0.6686321460772938
Energy: 0.7147011098837482
Energy: 0.7787747479511027
Energy: 0.7060435820155839
Energy: 0.6618285751185007
Energy: 0.7441382137222627
Energy: 0.7279490771623153
Energy: 0.706043581792455
Energy: 0.6618285751141256
Energy: 0.744138213715095
Energy: 0.6682388264792642
Energy: 0.6952188961893365
Energy: 0.7500703358954016
Energy: 0.6928656756578018
Energy: 0.6682388264871766
Energy: 0.6952188961893365
Energy: 0.7500703358935865
Energy: 0.6976166615775404
Energy: 0.6657789143013596
Energy: 0.7255819671704543
Energy: 0.7161814664460755
Energy: 0.6976166615765164
Energy: 0.6657789143036867
Energy: 0.7255819671725022
Energy: 0.6839438306955863
Energy: 0.6499182366735322
Energy: 0.7202632794898393
Energy: 0.6739035854437234
Energy: 0.6839438306884186
Energy: 0.6499182366853078
Energy: 0.7202632794936559
Energy: 0.6801331023965096
Energy: 0.6604326574036754
Energy: 0.7324838820677897
Energy: 0.6995427003805478
Energy: 0.6801331024102862
Energy: 0.6604326574023721
Energy: 0.7324838820688137
Energy: 0.6804316740105303
Energy: 0.6607063511518347
Energy: 0.6675977211670275
Energy: 0.6540591665769026
Energy: 0.6804316740092735
Energy: 0.6607063511774336
Energy: 0.6675977199367925
Energy: 0.6762713463277575
Energy: 0.6374611923962569
Energy: 0.738907770388879
Energy: 0.6984966695965004
Energy: 0.6762713463246858
Energy: 0.6374611923988167
Energy: 0.7389077703883672
Energy: 0.6747292727568597
Energy: 0.6716177723861928
Energy: 0.6904454944399766
Energy: 0.6414149086741425
Energy: 0.6747292727576044
Energy: 0.6716177723877288
Energy: 0.6904454944563133
Energy: 0.6479298269744341
Energy: 0.6473180440388298
Energy: 0.7312348589971042
Energy: 0.6962910490809717
Energy: 0.6479298278367436
Energy: 0.6473180439856308
Energy: 0.7312348589981281
Energy: 0.6736203862604031
Energy: 0.6751460704642844
Energy: 0.7329863833384155
Energy: 0.654035387890789
Energy: 0.673620386239924
Energy: 0.6751460704645171
Energy: 0.732986383310024
Energy: 0.6571428436261493
Energy: 0.6575394459060733
Energy: 0.7495809581244434
Energy: 0.6932812557171383
Energy: 0.6571428404832602
Energy: 0.6575394459035134
Energy: 0.7495809586029559
Energy: 0.6800019619383539
Energy: 0.7194827479989475
Energy: 0.743754014833804
Energy: 0.6663133202876595
Energy: 0.6800019619357941
Energy: 0.7194827479987148
Energy: 0.7437540148345954
Energy: 0.7237286974034384
Energy: 0.6613304938666746
Energy: 0.789641802866221
Energy: 0.7041633396659448
Energy: 0.723728697405719
Energy: 0.6613304938113811
Energy: 0.7896418028690602
Energy: 0.6766367822353061
Energy: 0.6977117244411454
Energy: 0.7588691281720288
Energy: 0.6935123831474966
Energy: 0.6766367822173869
Energy: 0.6977117244393302
Energy: 0.7588691281692361
Energy: 0.721127469709307
Energy: 0.6677657867810595
Energy: 0.7567634109940427
Energy: 0.7118729371391774
Energy: 0.7211274697103309
Energy: 0.6677657868043311
Energy: 0.7567634109947873
Energy: 0.6989589283029578
Energy: 0.6934364711130345
Energy: 0.776057144536081
Energy: 0.6631265310453143
Energy: 0.6989589283065416
Energy: 0.6934364711117313
Energy: 0.7760571445376169
Energy: 0.6631703047889247
Energy: 0.6675254203109773
Energy: 0.7723760926060437
Energy: 0.6866125801888625
Energy: 0.6631703018166636
Energy: 0.6675254203145611
Energy: 0.7723760926070675

minimum gb energy = 0.6374611923962569 eV
minimum distance =  2.52508833512851 Angstroms
sigma value = 365


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

Energy: 0.7197033796872749
Energy: 0.7224132493089889
Energy: 0.6070698901113857
Energy: 0.722413249309566
Energy: 0.7197033796866978
Energy: 0.7224132493112976
Energy: 0.6173247017682398
Energy: 0.7197033796872749
Energy: 0.722413249309566
Energy: 0.7016334135983812
Energy: 0.722413249309566
Energy: 0.7197033796872749
Energy: 0.7224132493112976
Energy: 0.6015094703403571
Energy: 0.7197033796861206
Energy: 0.7224132493101432
Energy: 0.6014975454439074
Energy: 0.7224132493101432
Energy: 0.7197033796872749
Energy: 0.722413249309566
Energy: 0.597722922832417
Energy: 0.7197033796872749
Energy: 0.7224132493089889
Energy: 0.607016677389039
Energy: 0.722413249309566
Energy: 0.7197033796872749
Energy: 0.7224132493112976
Energy: 0.6169411798456523
Energy: 0.7197033796866978
Energy: 0.7224132493101432
Energy: 0.632574663064989
Energy: 0.7224132493101432
Energy: 0.7197033796866978
Energy: 0.7224132493112976
Energy: 0.5977229228335713
Energy: 0.7197033796861206
Energy: 0.7224132493101432
Energy: 0.6173247017682398
Energy: 0.722413249309566
Energy: 0.7197033796878521
Energy: 0.722413249309566
Energy: 0.601378770355684
Energy: 0.7197033796866978
Energy: 0.7224132493089889
Energy: 0.637365701332282
Energy: 0.722413249309566
Energy: 0.7197033796866978
Energy: 0.7224132493112976
Energy: 0.6169411798375721
Energy: 0.7197033796878521
Energy: 0.722413249309566
Energy: 0.6013787703568383
Energy: 0.7224132493101432
Energy: 0.7197033796861206
Energy: 0.7224132493112976
Energy: 0.6688962604236763
Energy: 0.7197033796861206
Energy: 0.7224132493101432
Energy: 0.5977229228318398
Energy: 0.722413249309566
Energy: 0.7197033796878521
Energy: 0.722413249309566
Energy: 0.597722922832417
Energy: 0.7197033796872749
Energy: 0.7224132493089889
Energy: 0.6440531605171909
Energy: 0.7224132493101432
Energy: 0.7197033796866978
Energy: 0.7224132493112976
Energy: 0.5957165411311547
Energy: 0.7197033796878521
Energy: 0.722413249309566
Energy: 0.5977229228329941
Energy: 0.7224132493101432
Energy: 0.7197033796866978
Energy: 0.7224132493112976
Energy: 0.5977229228329941
Energy: 0.7197033796866978
Energy: 0.7224132493101432
Energy: 0.6015094703420886
Energy: 0.722413249309566
Energy: 0.7197033796878521
Energy: 0.722413249309566
Energy: 0.6015094703415114
Energy: 0.7197033796872749
Energy: 0.7224132493089889
Energy: 0.6215310324300253
Energy: 0.722413249309566
Energy: 0.7197033796866978
Energy: 0.7224132493112976
Energy: 0.6173247017682398
Energy: 0.7197033796872749
Energy: 0.7224132493101432
Energy: 0.6015094703426657
Energy: 0.722413249309566
Energy: 0.7197033796872749
Energy: 0.7224132493112976
Energy: 0.7349048738456564
Energy: 0.7197033796861206
Energy: 0.7224132493101432
Energy: 0.6015094703415114
Energy: 0.722413249309566
Energy: 0.7197033796884292
Energy: 0.722413249309566
Energy: 0.6015094703420886
Energy: 0.7197033796866978
Energy: 0.7224132493089889
Energy: 0.6015094703415114
Energy: 0.722413249309566
Energy: 0.7197033796872749
Energy: 0.7224132493112976
Energy: 0.6366853141852155
Energy: 0.7197033796872749
Energy: 0.7224132493101432
Energy: 0.6015094703420886
Energy: 0.7224132493101432
Energy: 0.7197033796866978
Energy: 0.7224132493112976
Energy: 0.635315935453971
Energy: 0.7197033796861206
Energy: 0.7224132493101432
Energy: 0.6015094703415114
Energy: 0.722413249309566
Energy: 0.7197033796884292
Energy: 0.722413249309566
Energy: 0.6015094703415114
Energy: 0.7197033796872749
Energy: 0.7224132493089889
Energy: 0.6015094703420886
Energy: 0.722413249309566
Energy: 0.7197033796872749
Energy: 0.7224132493112976
Energy: 0.6015094703409343
Energy: 0.7197033796878521
Energy: 0.722413249309566
Energy: 0.6015094703415114
Energy: 0.722413249309566
Energy: 0.7197033796866978
Energy: 0.7224132493112976
Energy: 0.6353159354799169

minimum gb energy = 0.5957165411311547 eV
minimum distance =  2.64544498803087 Angstroms
sigma value = 23