Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349978416387
mass=58.6934
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: 0.022218727874389197
Energy: 0.6788960902115183
Energy: 0.7386176298141042
Energy: 0.6788527166656378
Energy: 0.022218727874389197
Energy: 0.6788960902115183
Energy: 0.7386176298141042
Energy: 0.73790143796404
Energy: 0.02239668409256119
Energy: 0.364011443464332
Energy: 0.02244072066116208
Energy: 0.73790143796404
Energy: 0.02239668409256119
Energy: 0.364011443464332
Energy: 0.022218727874389197
Energy: 0.6788960902115183
Energy: 0.7386176298141042
Energy: 0.6788527166656378
Energy: 0.022218727874389197
Energy: 0.6788960902115183
Energy: 0.7386176298141042
Energy: 0.73790143796404
Energy: 0.02239668409256119
Energy: 0.364011443464332
Energy: 0.02244072066116208
Energy: 0.73790143796404
Energy: 0.02239668409256119
Energy: 0.364011443464332
Energy: 0.022218727874389197
Energy: 0.6788960902115183
Energy: 0.7386176298141042
Energy: 0.6788527166656378
Energy: 0.022218727874389197
Energy: 0.6788960902115183
Energy: 0.7386176298141042
Energy: 0.73790143796404
Energy: 0.02239668409256119
Energy: 0.364011443464332
Energy: 0.02244072066116208
Energy: 0.73790143796404
Energy: 0.02239668409256119
Energy: 0.364011443464332

minimum gb energy = 0.022218727874389197 eV
minimum distance =  2.47155956109089 Angstroms
sigma value = 5


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

Energy: 1.7416592254919308
Energy: 1.7359435799122969
Energy: 1.8893277934122557
Energy: 1.7355703320710494
Energy: 1.741659225488707
Energy: 1.7359435799090732
Energy: 1.8893277934122557
Energy: 1.627428756491306
Energy: 1.6311685874803274
Energy: 1.7523647966958174
Energy: 1.6627471628231092
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Energy: 1.631168587470657
Energy: 1.7523647966958174
Energy: 1.6244578136799337
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Energy: 1.6558907517026094
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Energy: 1.8086664633139398
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Energy: 1.712038592810706
Energy: 1.663004064162891
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Energy: 1.6569673356080514
Energy: 1.8530269758407676
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Energy: 1.8200962489450392
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Energy: 1.8359888920088265
Energy: 1.6697703491318319
Energy: 1.6608851132408087
Energy: 1.665576093647872
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Energy: 1.8115803607604055
Energy: 1.8136026362568496
Energy: 1.7467204265913123
Energy: 1.6837108298968118
Energy: 1.8115803607507346
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Energy: 1.6901014170007276
Energy: 1.6457997295607862
Energy: 1.778357653747801
Energy: 1.6836716780490368
Energy: 1.6901014169975626
Energy: 1.6457997295575628
Energy: 1.778357653754248
Energy: 1.6817459944398394
Energy: 1.6421355970036344
Energy: 1.8238029605949788
Energy: 1.6619618351533074
Energy: 1.6817459944495101
Energy: 1.642135597006858
Energy: 1.8238029605982025
Energy: 1.7945843491402211
Energy: 1.67014354689188
Energy: 1.8288219116342301
Energy: 1.6948910386027578
Energy: 1.7945843491434446
Energy: 1.67014354689188
Energy: 1.828821911627783
Energy: 1.6809074966321416
Energy: 1.6885702707244001
Energy: 1.8089003377798496
Energy: 1.6988193974510684
Energy: 1.6809074966450355
Energy: 1.6885702707244001
Energy: 1.808900337776626
Energy: 1.6198878139896369
Energy: 1.6446070167715374
Energy: 1.8800592558865343
Energy: 1.6573236535614526
Energy: 1.6198878139960842
Energy: 1.6446070167715374
Energy: 1.8800592558833105
Energy: 1.6267023774179792
Energy: 1.7019506374409246
Energy: 1.8855381850528208
Energy: 1.7754901713931663
Energy: 1.626702377424426
Energy: 1.7019506374409246
Energy: 1.8855381850495974
Energy: 1.6047604558414326
Energy: 1.7084707013717848
Energy: 1.6947692981772102
Energy: 1.62750484740562
Energy: 1.6047604558414326
Energy: 1.7084707013653377
Energy: 1.6947692981739866

minimum gb energy = 1.604429109205142 eV
minimum distance =  2.21907818909176 Angstroms
sigma value = 401


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

Energy: 1.687747969335496
Energy: 1.665680938904951
Energy: 1.8748232198836257
Energy: 1.6651491746758307
Energy: 1.687747969335496
Energy: 1.6656809389012919
Energy: 1.9159586892836067
Energy: 1.62638523085923
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Energy: 1.6456078454757985
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Energy: 1.6400610816139487
Energy: 1.7530646031301511
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Energy: 1.6120076551298406
Energy: 1.6461730202556788
Energy: 1.9524925634100243
Energy: 1.6917606747790572
Energy: 1.6120076551298406
Energy: 1.646173020259338
Energy: 1.9524925634063652
Energy: 1.6238006272585948
Energy: 1.6469588932148218
Energy: 1.7195255172811792
Energy: 1.6351974253888233
Energy: 1.6238006272585948
Energy: 1.6469588932148218
Energy: 1.7195255172848385
Energy: 1.6833162684782443
Energy: 1.6844891734939207
Energy: 1.7281667033599684
Energy: 1.6346058097327445
Energy: 1.6833162684782443
Energy: 1.6844891734902618
Energy: 1.7480834144744442
Energy: 1.6741970875006982
Energy: 1.6760227017153788
Energy: 1.7704277778671296
Energy: 1.6336064382520854
Energy: 1.6741970875006982
Energy: 1.6760227017190379
Energy: 1.7704277778671296
Energy: 1.6133994296688319
Energy: 1.6380000923755835
Energy: 1.7720198845157566
Energy: 1.6699051337864566
Energy: 1.6133994296688319
Energy: 1.6380000923829017
Energy: 1.7836834283962588
Energy: 1.625054719023978
Energy: 1.6478121657009606
Energy: 1.8200913419416858
Energy: 1.6424835653135892
Energy: 1.625054719027637
Energy: 1.6478121657009606
Energy: 1.851822475759913
Energy: 1.6343647974209918
Energy: 1.6656809389012919
Energy: 1.8840974059902245
Energy: 1.6651491746758307
Energy: 1.6343647974356281
Energy: 1.6656809389012919
Energy: 1.8840974059902245
Energy: 1.62638523085923
Energy: 1.7561371633435368
Energy: 1.7694137367763867
Energy: 1.654565781702657
Energy: 1.6263852308555706
Energy: 1.7561371633435368
Energy: 1.7694137367763867

minimum gb energy = 1.6120076551298406 eV
minimum distance =  2.23481448312587 Angstroms
sigma value = 311


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

Energy: 1.7784412871271769
Energy: 1.6584010905654873
Energy: 1.8087283172437336
Energy: 1.661509839353452
Energy: 1.778441287127599
Energy: 1.65840109056253
Energy: 1.8250150486756824
Energy: 1.7239063847348615
Energy: 1.6461997569680258
Energy: 1.7470101134528775
Energy: 1.659781961702507
Energy: 1.7239063847348615
Energy: 1.6461997569705609
Energy: 1.7470101134537224
Energy: 1.6773581259433177
Energy: 1.713528613662703
Energy: 1.8805842562621213
Energy: 1.691315473643797
Energy: 1.6773581259428951
Energy: 1.7135286136631256
Energy: 1.8500870574756698
Energy: 1.681436953572121
Energy: 1.6584283140887637
Energy: 1.8396957624500128
Energy: 1.7107034531521765
Energy: 1.6814369535725435
Energy: 1.6584283140887637
Energy: 1.8396957624495902
Energy: 1.6893983623057092
Energy: 1.680072120829456
Energy: 1.8337643506422148
Energy: 1.6986330550610556
Energy: 1.6893983623052864
Energy: 1.680072120830301
Energy: 1.8337643506434822
Energy: 1.7144281010302331
Energy: 1.6370747496440339
Energy: 1.6969019355632649
Energy: 1.6368193553199348
Energy: 1.7144281010331908
Energy: 1.6370747496440339
Energy: 1.6969019355615746
Energy: 1.7016096546616561
Energy: 1.7761775669903719
Energy: 1.8364620600825938
Energy: 1.7002897771006873
Energy: 1.7016096546616561
Energy: 1.776177566991217
Energy: 1.8364620600842838
Energy: 1.7039623510343198
Energy: 1.6730512369650101
Energy: 1.7478098608880817
Energy: 1.7074381483809442
Energy: 1.7039623510343198
Energy: 1.6730512369667
Energy: 1.7478098608779413
Energy: 1.689043939293477
Energy: 1.6445997376673076
Energy: 1.813689134269581
Energy: 1.6499775554364944
Energy: 1.6890439392930545
Energy: 1.6445997376673076
Energy: 1.8432024498891495
Energy: 1.693480447546494
Energy: 1.7160651453008968
Energy: 1.8651014496601217
Energy: 1.7299365781972862
Energy: 1.693480447548184
Energy: 1.716065145300052
Energy: 1.8651014496588543
Energy: 1.766049972821991
Energy: 1.7230171996403363
Energy: 1.8352795626105471
Energy: 1.6519069492121783
Energy: 1.7660499728232586
Energy: 1.7230171996416035
Energy: 1.8352795626118146
Energy: 1.6959101531069105
Energy: 1.7252074692854207
Energy: 1.7833003091680328
Energy: 1.7020286350364935
Energy: 1.6959101531060654
Energy: 1.7252074692849984
Energy: 1.7833003091684552
Energy: 1.6737637273706842
Energy: 1.639151563794799
Energy: 1.8054834786619003
Energy: 1.7018847226879061
Energy: 1.6737637273702617
Energy: 1.6391515637952214
Energy: 1.8054834786623228
Energy: 1.6786346483320096
Energy: 1.7207732834843128
Energy: 1.7475014127232236
Energy: 1.7127981516758404
Energy: 1.6786346483320096
Energy: 1.7207732834838902
Energy: 1.7475014127223787
Energy: 1.734708629968672
Energy: 1.6609184875639178
Energy: 1.7682753819621135
Energy: 1.666153193161995
Energy: 1.7347086299690948
Energy: 1.6609184875643404
Energy: 1.7682753819616914
Energy: 1.7388833036183164
Energy: 1.7169774420850692
Energy: 1.7715154082722928
Energy: 1.717774489924118
Energy: 1.738883303615359
Energy: 1.7169774420846466
Energy: 1.7715154082714482
Energy: 1.7543109211138026
Energy: 1.633645594864091
Energy: 1.7848091177332368
Energy: 1.6894565029043656
Energy: 1.7543109211129573
Energy: 1.6336455948653585
Energy: 1.7848091177323917
Energy: 1.6686461702260948
Energy: 1.7604107675930747
Energy: 1.7038459423505943
Energy: 1.7160125094286593
Energy: 1.6686461702248274
Energy: 1.7604107675926524
Energy: 1.7038459423510166
Energy: 1.671371831499759
Energy: 1.6705329188237938
Energy: 1.8586059418523129
Energy: 1.7022964658325905
Energy: 1.6713718315001815
Energy: 1.6705329188250613
Energy: 1.8586059418535805
Energy: 1.7028788838747282
Energy: 1.673248243351741
Energy: 1.7658302960396741
Energy: 1.7054992939024392
Energy: 1.7028788838747282
Energy: 1.673248243350051
Energy: 1.7658302960396741
Energy: 1.698412018963976
Energy: 1.7005753022743717
Energy: 1.8449116514633204
Energy: 1.7353958791667774
Energy: 1.6984120189631309
Energy: 1.7005753022743717
Energy: 1.8449116514628978
Energy: 1.7153756570239282
Energy: 1.72472383542798
Energy: 1.873619395894843
Energy: 1.6544946880470939
Energy: 1.7153756570235057
Energy: 1.7247238354267123
Energy: 1.8736193958923082
Energy: 1.7316743843327609
Energy: 1.6903373766864287
Energy: 1.7703233199181612
Energy: 1.6799136746082042
Energy: 1.7316743843319156
Energy: 1.6903373766855836
Energy: 1.7703233199181612
Energy: 1.6886812504190492
Energy: 1.6664732053206763
Energy: 1.8019159735079326
Energy: 1.6607210400653047
Energy: 1.6886812504203166
Energy: 1.6664732053219435
Energy: 1.8019159735087777
Energy: 1.7055154234524457
Energy: 1.6962252180044293
Energy: 1.7928933108274228
Energy: 1.671648370421621
Energy: 1.7055154234524457
Energy: 1.6962252180035842
Energy: 1.7928933108270004
Energy: 1.7846186488018605
Energy: 1.7279795375056146
Energy: 1.689451500018691
Energy: 1.7612892314748758
Energy: 1.7846186488014382
Energy: 1.7279795375056146
Energy: 1.6894515000195358
Energy: 1.779999612033808
Energy: 1.6597105261272542
Energy: 1.8284197981869432
Energy: 1.6566433522079467
Energy: 1.7799996120354982
Energy: 1.6597105261259868
Energy: 1.8284197981873656
Energy: 1.7433774639294939
Energy: 1.6466648751854347
Energy: 1.7414940291603414
Energy: 1.7081509901914833
Energy: 1.743377463929916
Energy: 1.646664875185857
Energy: 1.7414940291603414
Energy: 1.6767322021767568
Energy: 1.7137269007368656
Energy: 1.8813227857008412
Energy: 1.703123791847733
Energy: 1.6767322021742217
Energy: 1.7137269007381333
Energy: 1.8813227857016863
Energy: 1.6812366354932105
Energy: 1.659994772251695
Energy: 1.9044260559812385
Energy: 1.711593033931556
Energy: 1.6812366354910977
Energy: 1.6599947722525403
Energy: 1.9044260559820834
Energy: 1.6911117590061244
Energy: 1.6802198243112252
Energy: 1.8479606411786909
Energy: 1.6983933023266113
Energy: 1.6911117590057023
Energy: 1.6802198243112252
Energy: 1.8479606411808036
Energy: 1.7110467278022778
Energy: 1.6593821769117367
Energy: 1.7740033487876894
Energy: 1.636715076432958
Energy: 1.7110467278035455
Energy: 1.659382176910469
Energy: 1.774003348788112
Energy: 1.7015432842817064
Energy: 1.778760502641912
Energy: 1.8351256405886869
Energy: 1.6955893919132334
Energy: 1.7015432842817064
Energy: 1.778760502641912
Energy: 1.8351256405891094
Energy: 1.7040303353979183
Energy: 1.6738628823638508
Energy: 1.7475429140275318
Energy: 1.6994752650805498
Energy: 1.7040303353970734
Energy: 1.6738628823634285
Energy: 1.7475429140266867
Energy: 1.6876962480084727
Energy: 1.6373593633268015
Energy: 1.8031802039573812
Energy: 1.6646080657663813
Energy: 1.6876962480084727
Energy: 1.6373593633255341
Energy: 1.8031802039548464
Energy: 1.6903969458099568
Energy: 1.715890214557555
Energy: 1.801802632919121
Energy: 1.7346759827456297
Energy: 1.6903969458091117
Energy: 1.7158902145562873
Energy: 1.801802632919121

minimum gb energy = 1.633645594864091 eV
minimum distance =  2.23958852618006 Angstroms
sigma value = 39


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

Energy: 1.6514562706646798
Energy: 1.6793883565350358
Energy: 1.8247572735377977
Energy: 1.6758914930792952
Energy: 1.6514562706631841
Energy: 1.6793883565340386
Energy: 1.780202620731719
Energy: 1.6307581813938916
Energy: 1.6554963678755166
Energy: 1.7350308117435667
Energy: 1.6553371153946568
Energy: 1.6307581813983798
Energy: 1.6554963678785084
Energy: 1.735030811741572
Energy: 1.6512867970344296
Energy: 1.5770451833497314
Energy: 1.6554109053076869
Energy: 1.6049918870245472
Energy: 1.651286797027494
Energy: 1.577045183352678
Energy: 1.6802914511352152
Energy: 1.6320720368211796
Energy: 1.655449872790153
Energy: 1.7353998176254652
Energy: 1.7280983420131093
Energy: 1.6320720368246704
Energy: 1.655449872790153
Energy: 1.7353998176254652
Energy: 1.7005445120785372
Energy: 1.6011340760567072
Energy: 1.603048661705138
Energy: 1.603076932452376
Energy: 1.7005445120765426
Energy: 1.6011340760572057
Energy: 1.6030486617081299
Energy: 1.6474589372240707
Energy: 1.654690937384662
Energy: 1.6621456649516981
Energy: 1.7232184399944743
Energy: 1.6474589372255666
Energy: 1.6546909373841634
Energy: 1.6621456649507007
Energy: 1.8424221989126002
Energy: 1.6025176443928413
Energy: 1.6258797420175688
Energy: 1.6049318902361225
Energy: 1.842422198915592
Energy: 1.60251764439334
Energy: 1.6258797420190645
Energy: 1.6323997287396965
Energy: 1.648561773779527
Energy: 1.7277078325593263
Energy: 1.6485237494904725
Energy: 1.6323997287426883
Energy: 1.6485617737790283
Energy: 1.7277078325583293
Energy: 1.8424497459012799
Energy: 1.601941260697593
Energy: 1.756483845758821
Energy: 1.6025066404050192
Energy: 1.8424497459017786
Energy: 1.6019412606941021
Energy: 1.7284565629797062
Energy: 1.6473383692287278
Energy: 1.7234996347531766
Energy: 1.6621732159063227
Energy: 1.654677255242544
Energy: 1.64733836923521
Energy: 1.7234996347506832
Energy: 1.6621732159078184
Energy: 1.7005597221051771
Energy: 1.6032525867338532
Energy: 1.8789309878009324
Energy: 1.6012170955734495
Energy: 1.7005597221046784
Energy: 1.6032525867303626
Energy: 1.6924454263070783
Energy: 1.6321639512422539
Energy: 1.7280885385206894
Energy: 1.735635563821918
Energy: 1.655389386221483
Energy: 1.6321639512422539
Energy: 1.7280885385221856
Energy: 1.7356355638224168
Energy: 1.6514133443954384
Energy: 1.6049827565635573
Energy: 1.6523117234997333
Energy: 1.5769868006614705
Energy: 1.6514133443989285
Energy: 1.6049827565645545
Energy: 1.6523117234957445
Energy: 1.6307726719246116
Energy: 1.6552379723467812
Energy: 1.7351471996470018
Energy: 1.6554633627793343
Energy: 1.630772671923161
Energy: 1.6552379723502717
Energy: 1.735147199646503
Energy: 1.6514562706651787
Energy: 1.679388356536033
Energy: 1.7303343785821734
Energy: 1.6758914930787965
Energy: 1.6514562706621867
Energy: 1.6793883565345373
Energy: 1.730334378578683
Energy: 1.6307581813943903
Energy: 1.6554963678755166
Energy: 1.7350308117430682
Energy: 1.6553371153956544
Energy: 1.6307581813983798
Energy: 1.6554963678780097
Energy: 1.7350308117410733
Energy: 1.651286797032934
Energy: 1.5770451833502301
Energy: 1.6618224140392137
Energy: 1.6049918870255442
Energy: 1.651286797025998
Energy: 1.577045183352678
Energy: 1.661822414038715
Energy: 1.6320720368216783
Energy: 1.655449872790153
Energy: 1.7353998176269612
Energy: 1.7280983420131093
Energy: 1.6320720368251687
Energy: 1.6554498727906517
Energy: 1.7353998176269612
Energy: 1.70054451207754
Energy: 1.6011340760572057
Energy: 1.6043157937296317
Energy: 1.6030769324528746
Energy: 1.7005445120770413
Energy: 1.6011340760577044
Energy: 1.603048661709127
Energy: 1.6474589372230732
Energy: 1.6546909373851608
Energy: 1.6621456649511994
Energy: 1.723218439994973
Energy: 1.647458937223572
Energy: 1.654690937384662
Energy: 1.6621456649507007
Energy: 1.8424221989121015
Energy: 1.60251764439334
Energy: 1.611497561650009
Energy: 1.6049318902361225
Energy: 1.8424221989150933
Energy: 1.6025176443928413
Energy: 1.622597091907455
Energy: 1.6323997287396965
Energy: 1.648561773779527
Energy: 1.7277078325593263
Energy: 1.6485237494909712
Energy: 1.6323997287426883
Energy: 1.6485617737800258
Energy: 1.7277078325593263
Energy: 1.8424497459002827
Energy: 1.601941260697593
Energy: 1.6825006978762076
Energy: 1.6025066404050192
Energy: 1.8424497459007814
Energy: 1.6019412606931052
Energy: 1.736195800134608
Energy: 1.6473383692277304
Energy: 1.7234996347541738
Energy: 1.6621732159088158
Energy: 1.6546772552420452
Energy: 1.6473383692347114
Energy: 1.7234996347511822
Energy: 1.6621732159063227
Energy: 1.7005597221051771
Energy: 1.603252586734352
Energy: 1.9260675363587547
Energy: 1.6012170955739482
Energy: 1.7005597221046784
Energy: 1.6032525867298644
Energy: 1.9260675363617463
Energy: 1.6321639512417552
Energy: 1.728088538520191
Energy: 1.7356355638214194
Energy: 1.6553893862224802
Energy: 1.632163951241257
Energy: 1.7280885385216869
Energy: 1.7356355638224168
Energy: 1.6514133443954384
Energy: 1.6049827565645545
Energy: 1.6523117234982376
Energy: 1.5769868006619692
Energy: 1.6514133443979315
Energy: 1.6049827565655517
Energy: 1.652311723494747
Energy: 1.6307726719246116
Energy: 1.6552379723477786
Energy: 1.735147199646503
Energy: 1.655463362779833
Energy: 1.6307726719236142
Energy: 1.6552379723512691
Energy: 1.7351471996455057
Energy: 1.6514562706646798
Energy: 1.6793883565345373
Energy: 1.7303343785801788
Energy: 1.675891493079794
Energy: 1.6514562706626854
Energy: 1.6793883565340386
Energy: 1.7303343785806775
Energy: 1.6307581813943903
Energy: 1.6554963678755166
Energy: 1.7350308117430682
Energy: 1.6553371153946568
Energy: 1.6307581813983798
Energy: 1.6554963678785084
Energy: 1.735030811741572

minimum gb energy = 1.5769868006614705 eV
minimum distance =  2.28154028484469 Angstroms
sigma value = 21


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

Energy: 1.6842492575030021
Energy: 1.8040802003514864
Energy: 1.7339018933884258
Energy: 1.8052908830012206
Energy: 1.684249257503607
Energy: 1.8040802003539078
Energy: 1.7746518012997854
Energy: 1.6859780295641913
Energy: 1.6554426424656479
Energy: 1.7541008921907013
Energy: 1.6550379466960052
Energy: 1.6859780295654019
Energy: 1.6554426424644373
Energy: 1.754100892189491
Energy: 1.6848453447964875
Energy: 1.730188561513967
Energy: 1.7594812497116397
Energy: 1.6685832702426457
Energy: 1.6848453447983036
Energy: 1.7301885615127564
Energy: 1.7594812497140335
Energy: 1.6477079706623026
Energy: 1.664736205733163
Energy: 1.78901020297472
Energy: 1.6342438325274469
Energy: 1.6477079706604867
Energy: 1.6647362057343738
Energy: 1.7890102029741144
Energy: 1.6184834801246217
Energy: 1.578853911994604
Energy: 1.6296256530175366
Energy: 1.6585843317547428
Energy: 1.618483480125227
Energy: 1.5788539119921825
Energy: 1.6296256530126938
Energy: 1.647962269695655
Energy: 1.5980894065154008
Energy: 1.700220999735714
Energy: 1.6608545781856177
Energy: 1.6479622696962601
Energy: 1.5980894065184272
Energy: 1.700220999735714
Energy: 1.7367968631185347
Energy: 1.579535826839648
Energy: 1.6352108853250789
Energy: 1.6575548879471906
Energy: 1.7367968631209558
Energy: 1.579535826840859
Energy: 1.6352108853238683
Energy: 1.6743023499610707
Energy: 1.7134217225233483
Energy: 1.801564422366148
Energy: 1.660849752229926
Energy: 1.6743023499610707
Energy: 1.7134217225239536
Energy: 1.8015644223655427
Energy: 1.7215617818971716
Energy: 1.662752036349163
Energy: 1.7075273192496496
Energy: 1.784679007075995
Energy: 1.721561781896566
Energy: 1.6627520363497685
Energy: 1.707527319250255
Energy: 1.6561103032040208
Energy: 1.6624014306959607
Energy: 1.6245614689140147
Energy: 1.740663713338607
Energy: 1.656110303204626
Energy: 1.662401430696566
Energy: 1.624561468912804
Energy: 1.7737922766325613
Energy: 1.7895220461579306
Energy: 1.6774150581186584
Energy: 1.6671510752221521
Energy: 1.7737922766313505
Energy: 1.7895220461591412
Energy: 1.677415058119264
Energy: 1.565128818606642
Energy: 1.691397897633571
Energy: 1.6368447247391136
Energy: 1.634417091238951
Energy: 1.5651288186072472
Energy: 1.691397897633571
Energy: 1.636844724740324
Energy: 1.7740883121953361
Energy: 1.6473753256473616
Energy: 1.6642578130128778
Energy: 1.6692214362194129
Energy: 1.7740883121941258
Energy: 1.647375325646756
Energy: 1.6378065197655665
Energy: 1.5650663420310384
Energy: 1.6912194710780655
Energy: 1.6798995083989954
Energy: 1.6996830694124436
Energy: 1.5650663420286446
Energy: 1.69121947107746
Energy: 1.6798995083989954
Energy: 1.7524574289185881
Energy: 1.5923504489741551
Energy: 1.6257283455979916
Energy: 1.6333893536870914
Energy: 1.752457428919166
Energy: 1.5923504489759712
Energy: 1.6257283455979916
Energy: 1.5569101589562975
Energy: 1.732013675106631
Energy: 1.6142818485711639
Energy: 1.626025719908689
Energy: 1.5569101589556922
Energy: 1.732013675106631
Energy: 1.6142818485699533
Energy: 1.7533238447655037
Energy: 1.5925594821519211
Energy: 1.6166386938843589
Energy: 1.6331500309010512
Energy: 1.7533238447648984
Energy: 1.59255948215071
Energy: 1.6166386938843589
Energy: 1.5569848552448333
Energy: 1.6663621069785461
Energy: 1.6192808764148825
Energy: 1.721343537753171
Energy: 1.5569848552424121
Energy: 1.6663621069803622
Energy: 1.619280876417304
Energy: 1.683810217213806
Energy: 1.6379170871447333
Energy: 1.6945912987641416
Energy: 1.6334211098741593
Energy: 1.6838102172162273
Energy: 1.6379170871453386
Energy: 1.694591298767168
Energy: 1.5566559701223344
Energy: 1.715512339654545
Energy: 1.5999196487980332
Energy: 1.715479284271345
Energy: 1.5566559701235452
Energy: 1.715512339654545
Energy: 1.5999196487968228
Energy: 1.6840184768555055
Energy: 1.6334446149885964
Energy: 1.694476578777588
Energy: 1.59145198222634
Energy: 1.6840184768543223
Energy: 1.633444614989202
Energy: 1.6944765787757718
Energy: 1.5569353699674655
Energy: 1.7213899070865921
Energy: 1.6193046647130505
Energy: 1.6661606359862273
Energy: 1.556935369968071
Energy: 1.7213899070859868
Energy: 1.6193046647118399
Energy: 1.7531836755220238
Energy: 1.6332822623302738
Energy: 1.616528886375026
Energy: 1.5925037796261825
Energy: 1.753183675522629
Energy: 1.63328226233209
Energy: 1.616528886375026
Energy: 1.5570412783944998
Energy: 1.6257583563754168
Energy: 1.6143262711403514
Energy: 1.7318786659379741
Energy: 1.557041278395105
Energy: 1.6257583563778382
Energy: 1.6143262711409567
Energy: 1.752641537815194
Energy: 1.6333473046762106
Energy: 1.6515667711175606
Energy: 1.5921892566792266
Energy: 1.752641537816377
Energy: 1.6333473046762106
Energy: 1.6515667711163498

minimum gb energy = 1.5566559701223344 eV
minimum distance =  2.2563100950037 Angstroms
sigma value = 113


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

Energy: 1.6824723340715355
Energy: 1.7880999158662285
Energy: 1.7257375019500838
Energy: 1.7884888909599594
Energy: 1.682472334074914
Energy: 1.78809991586285
Energy: 1.7257375019467056
Energy: 1.7911832029941352
Energy: 1.7139162265401888
Energy: 1.766599941584704
Energy: 1.696387154513878
Energy: 1.7911832029873784
Energy: 1.7139162265368104
Energy: 1.7665999415880822
Energy: 1.675491954955404
Energy: 1.71522927746983
Energy: 1.7858479663312607
Energy: 1.720337010346419
Energy: 1.6754919549587823
Energy: 1.7152292774732083
Energy: 1.7858479663278821
Energy: 1.6239709020699031
Energy: 1.761317739995808
Energy: 1.8680755118720251
Energy: 1.7067741852837455
Energy: 1.623970902063146
Energy: 1.7613177399924296
Energy: 1.8680755118686467
Energy: 1.7445718393742118
Energy: 1.6338490458679107
Energy: 1.6718981243676063
Energy: 1.6366136265880793
Energy: 1.7445718393708334
Energy: 1.633849045871289
Energy: 1.6718981243574713
Energy: 1.626980266581871
Energy: 1.718251014506893
Energy: 1.7822056170816651
Energy: 1.6344702807124383
Energy: 1.6269802665953845
Energy: 1.7182510145102714
Energy: 1.7822056170782867
Energy: 1.6198015087560818
Energy: 1.6333569910028065
Energy: 1.6638069651527214
Energy: 1.6398538107009482
Energy: 1.6198015087594602
Energy: 1.6333569909960497
Energy: 1.6638069651358298
Energy: 1.626614376444982
Energy: 1.7330132451082234
Energy: 1.7829652232791848
Energy: 1.6229247074183901
Energy: 1.6266143764483603
Energy: 1.7330132451183589
Energy: 1.7829652232791848
Energy: 1.620473127202456
Energy: 1.6700466779773222
Energy: 1.736653943931903
Energy: 1.6734426038955434
Energy: 1.6204731271990775
Energy: 1.6700466779773222
Energy: 1.736653943931903
Energy: 1.6461408590244757
Energy: 1.7311353013300885
Energy: 1.7311273499187072
Energy: 1.659986851123287
Energy: 1.6461408590210975
Energy: 1.7311353013300885
Energy: 1.7311273499187072
Energy: 1.6216614615862706
Energy: 1.7033588573480483
Energy: 1.7898965372365019
Energy: 1.6258052755141335
Energy: 1.621661461589649
Energy: 1.7033588573480483
Energy: 1.8273793845562498
Energy: 1.646265423377925
Energy: 1.685153795288848
Energy: 1.8423160524169355
Energy: 1.6775271784733523
Energy: 1.646265423377925
Energy: 1.6851537952922262
Energy: 1.8423160524169355
Energy: 1.7542942997773505
Energy: 1.6951445767903366
Energy: 1.7783650132751407
Energy: 1.7069992764934165
Energy: 1.7542942997773505
Energy: 1.6951445767970932
Energy: 1.816373813510276
Energy: 1.7023415048187103
Energy: 1.7941398541743008
Energy: 1.9017330045159364
Energy: 1.7361131289345646
Energy: 1.7023415048187103
Energy: 1.7941398541743008
Energy: 1.901733004512558
Energy: 1.75487920821396
Energy: 1.729499287673978
Energy: 1.8898124704979686
Energy: 1.758954762689853
Energy: 1.75487920821396
Energy: 1.729499287673978
Energy: 1.889812470501347
Energy: 1.702309920280387
Energy: 1.6851642818575943
Energy: 1.7456493786205038
Energy: 1.6779806031731719
Energy: 1.7023099202871437
Energy: 1.6851642818575943
Energy: 1.7456493786171252
Energy: 1.7753249082865876
Energy: 1.702246925101541
Energy: 1.887984416763261
Energy: 1.7068422760236868
Energy: 1.775324908279831
Energy: 1.702246925108298
Energy: 1.887984416773396
Energy: 1.6458255942169318
Energy: 1.6873631056727219
Energy: 1.7731924234038956
Energy: 1.6758130560984936
Energy: 1.6458255942169318
Energy: 1.6873631056761003
Energy: 1.773192423407274
Energy: 1.7758053919717725
Energy: 1.708435444082813
Energy: 1.8185652836449804
Energy: 1.7316612626797476
Energy: 1.7758053919751506
Energy: 1.708435444082813
Energy: 1.8185652836517372
Energy: 1.5925574941861338
Energy: 1.7194889018949016
Energy: 1.7800582574825983
Energy: 1.6326121151814963
Energy: 1.5925574941793772
Energy: 1.7194889018915234
Energy: 1.7800582574859767
Energy: 1.6317960156655837
Energy: 1.6333853120721176
Energy: 1.7736825692994382
Energy: 1.6472385078751735
Energy: 1.6317960156723406
Energy: 1.6333853120788742
Energy: 1.7736825693061948
Energy: 1.5925668746668447
Energy: 1.6654022959501538
Energy: 1.7079727537096285
Energy: 1.627419733408802
Energy: 1.5925668746668447
Energy: 1.6654022959569104
Energy: 1.7079727537062501
Energy: 1.6323894301131698
Energy: 1.609152744018238
Energy: 1.754124320735477
Energy: 1.7789319384208087
Energy: 1.6323894301165482
Energy: 1.609152744018238
Energy: 1.754124320745612
Energy: 1.6636190889624243
Energy: 1.662712410734316
Energy: 1.6892473909759362
Energy: 1.6284633042358205
Energy: 1.6636190889624243
Energy: 1.662712410734316
Energy: 1.6892473909759362
Energy: 1.616777820662619
Energy: 1.7094561480740351
Energy: 1.7387606104233537
Energy: 1.8542295902099561
Energy: 1.616777820659241
Energy: 1.7094561480740351
Energy: 1.7387606104267324
Energy: 1.6481896673047973
Energy: 1.744279319111944
Energy: 1.765912587170362
Energy: 1.707304297194781
Energy: 1.6481896673081757
Energy: 1.7442793191085657
Energy: 1.7659125871636052
Energy: 1.7106128799288176
Energy: 1.6977806547543637
Energy: 1.6585381406477626
Energy: 1.8011294954935537
Energy: 1.710612879932196
Energy: 1.6977806547543637
Energy: 1.6585381406443842
Energy: 1.6473768480868822
Energy: 1.8459933959398762
Energy: 1.7631061668027659
Energy: 1.7494576145091776
Energy: 1.6473768480902604
Energy: 1.8459933959398762
Energy: 1.7631061667993875
Energy: 1.7480156185569635
Energy: 1.689204640205371
Energy: 1.7524343074537314
Energy: 1.8001023510781988
Energy: 1.7480156185535851
Energy: 1.6892046401986143
Energy: 1.7524343074571098
Energy: 1.6560371548632915
Energy: 1.7391312155017897
Energy: 1.7555457363727243
Energy: 1.7897290739075487
Energy: 1.6560371548632915
Energy: 1.7391312155051681
Energy: 1.7555457363727243
Energy: 1.6214100416175472
Energy: 1.688408330702654
Energy: 1.800107257134919
Energy: 1.7928132534058498
Energy: 1.6214100416614659
Energy: 1.6884083307094107
Energy: 1.8001072571382974
Energy: 1.6584451836051266
Energy: 1.6282228433531474
Energy: 1.6928958344492002
Energy: 1.6995847462777496
Energy: 1.6584451835950527
Energy: 1.6282228433632824
Energy: 1.6928958344492002
Energy: 1.621953240587728
Energy: 1.6437925142955454
Energy: 1.8116460292331065
Energy: 1.7183687658995848
Energy: 1.6219532405911061
Energy: 1.6437925143023022
Energy: 1.8116460292398635
Energy: 1.6371112303084507
Energy: 1.6415335563499749
Energy: 1.683012944047236
Energy: 1.6160045001567345
Energy: 1.6371112303016941
Energy: 1.6415335563465965
Energy: 1.683012944047236
Energy: 1.6206077211891685
Energy: 1.611528466626636
Energy: 1.790299399047773
Energy: 1.7082063218905121
Energy: 1.6206077211891685
Energy: 1.6115284666300145
Energy: 1.7902993990443947
Energy: 1.621873047913235
Energy: 1.6397846360094104
Energy: 1.6481784306493876
Energy: 1.6210245042563496
Energy: 1.6218730479098569
Energy: 1.6397846360094104
Energy: 1.6481784306460092
Energy: 1.6204339140640842
Energy: 1.611748263198552
Energy: 1.7593452984071822
Energy: 1.7128465114158415
Energy: 1.6204339140640842
Energy: 1.6117482631951736
Energy: 1.7593452984071822
Energy: 1.6133302350951997
Energy: 1.6217876998859708
Energy: 1.7342401033394077
Energy: 1.6214027856823783
Energy: 1.6133302351019563
Energy: 1.621787699889349
Energy: 1.734240103342786
Energy: 1.6255762206282554
Energy: 1.6845923486916798
Energy: 1.90430915265243
Energy: 1.7311132990146563
Energy: 1.625576220624877
Energy: 1.6845923486916798
Energy: 1.9043091526490519
Energy: 1.666476990520398
Energy: 1.7013497839389322
Energy: 1.7433408085498798
Energy: 1.6966518144231242
Energy: 1.666476990520398
Energy: 1.7013497839423104
Energy: 1.7433408085498798
Energy: 1.7633162091405863
Energy: 1.680591033881002
Energy: 1.9045730685285283
Energy: 1.7413660810100153
Energy: 1.7633162091372079
Energy: 1.6805910338877585
Energy: 1.9045730685285283
Energy: 1.6662824561703609
Energy: 1.6821117350110655
Energy: 1.8509556704881196
Energy: 1.7761488878532525
Energy: 1.6662824561737393
Energy: 1.682111735017822
Energy: 1.8509556704847412
Energy: 1.6622155348259022
Energy: 1.6802129990834167
Energy: 1.8142631362505979
Energy: 1.7455086624442449
Energy: 1.6622155348259022
Energy: 1.680212999086795
Energy: 1.8142631362573545
Energy: 1.7140950110017263
Energy: 1.7051371856541535
Energy: 1.8777386147849269
Energy: 1.6015065573399996
Energy: 1.7140950110017263
Energy: 1.7051371856609103
Energy: 1.8777386147849269
Energy: 1.5990969089279696
Energy: 1.681575304491236
Energy: 1.8145682458565593
Energy: 1.7342835733875375
Energy: 1.5990969089279696
Energy: 1.6815753044878579
Energy: 1.8145682458565593

minimum gb energy = 1.5925574941793772 eV
minimum distance =  2.19890347658511 Angstroms
sigma value = 365


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

Energy: 1.7268365367870802
Energy: 1.34004064640161
Energy: 1.7509342942986332
Energy: 1.3400406464038952
Energy: 1.7268365367870802
Energy: 1.3400406464038952
Energy: 1.685868603502574
Energy: 1.7268365367878415
Energy: 1.3400406464038952
Energy: 1.4370904592759666
Energy: 1.34004064640161
Energy: 1.7268365367870802
Energy: 1.34004064640161
Energy: 1.312731362780866
Energy: 1.7268365367878415
Energy: 1.3400406464031336
Energy: 1.7990171122862293
Energy: 1.3400406464023717
Energy: 1.7268365367870802
Energy: 1.3400406464038952
Energy: 1.3127314075750909
Energy: 1.7268365367878415
Energy: 1.3400406464023717
Energy: 1.6484940758072733
Energy: 1.3400406464054186
Energy: 1.7268365367870802
Energy: 1.3400406464054186
Energy: 1.7516640999408355
Energy: 1.7268365367878415
Energy: 1.3400406464038952
Energy: 1.3754079475580603
Energy: 1.3400406464023717
Energy: 1.7268365367878415
Energy: 1.3400406464023717
Energy: 1.4993083705351222
Energy: 1.7268365367886034
Energy: 1.3400406464023717
Energy: 1.3796511049530547
Energy: 1.3400406464008487
Energy: 1.7268365367870802
Energy: 1.3400406464031336
Energy: 1.4012525114110297
Energy: 1.7268365367878415
Energy: 1.34004064640161
Energy: 1.7516640997528015
Energy: 1.3400406464054186
Energy: 1.7268365367863183
Energy: 1.3400406464038952
Energy: 1.685384438682148
Energy: 1.7268365367878415
Energy: 1.3400406464038952
Energy: 1.3127306377279002
Energy: 1.34004064640161
Energy: 1.7268365367870802
Energy: 1.340040646400087
Energy: 1.3127306196579065
Energy: 1.7268365367886034
Energy: 1.3400406464008487
Energy: 1.3175000887705055
Energy: 1.34004064640161
Energy: 1.7268365367878415
Energy: 1.3400406464023717
Energy: 1.3127305336264883
Energy: 1.7268365367878415
Energy: 1.3400406464023717
Energy: 1.6858686017111097
Energy: 1.3400406464046568
Energy: 1.7268365367870802
Energy: 1.3400406464038952
Energy: 1.6858686016159676
Energy: 1.7268365367878415
Energy: 1.3400406464054186
Energy: 1.3798349781921038
Energy: 1.3400406464023717
Energy: 1.7268365367878415
Energy: 1.34004064640161
Energy: 1.3127303891482485
Energy: 1.7268365367878415
Energy: 1.3400406464008487
Energy: 1.3174996915518038
Energy: 1.3400406464008487
Energy: 1.7268365367878415
Energy: 1.3400406464023717
Energy: 1.3174900127298201
Energy: 1.7268365367870802
Energy: 1.34004064640161
Energy: 1.317492637598228
Energy: 1.3400406464038952
Energy: 1.7268365367870802
Energy: 1.3400406464046568
Energy: 1.3174989625329512
Energy: 1.7268365367878415
Energy: 1.3400406464046568
Energy: 1.3174997157125958
Energy: 1.3400406464023717
Energy: 1.7268365367870802
Energy: 1.3400406464023717
Energy: 1.3175011955661557
Energy: 1.7268365367886034
Energy: 1.3400406464008487
Energy: 1.3175014296937801
Energy: 1.34004064640161
Energy: 1.7268365367870802
Energy: 1.3400406464031336
Energy: 1.3175005051243232
Energy: 1.7268365367878415
Energy: 1.3400406464008487
Energy: 1.3175008326258664
Energy: 1.3400406464038952
Energy: 1.7268365367870802
Energy: 1.3400406464046568
Energy: 1.3174977332415883
Energy: 1.7268365367878415
Energy: 1.3400406464031336
Energy: 1.3174980010766335
Energy: 1.340040646400087
Energy: 1.7268365367878415
Energy: 1.3400406464008487
Energy: 1.3174854037535293
Energy: 1.7268365367886034
Energy: 1.34004064640161
Energy: 1.3174794896451651
Energy: 1.34004064640161
Energy: 1.7268365367870802
Energy: 1.3400406464023717
Energy: 1.317495100229761
Energy: 1.7268365367878415
Energy: 1.3400406464031336
Energy: 1.3174975592883023
Energy: 1.3400406464038952
Energy: 1.7268365367870802
Energy: 1.3400406464046568
Energy: 1.317501014606864
Energy: 1.7268365367878415
Energy: 1.3400406464031336
Energy: 1.3175005810959748
Energy: 1.34004064640161
Energy: 1.7268365367870802
Energy: 1.3400406464008487
Energy: 1.31749980195798

minimum gb energy = 1.3127303891482485 eV
minimum distance =  2.3745967725028 Angstroms
sigma value = 23