Model name: model_name=EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.210718545317654
cohesive_energy=3.6305175345031104
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[4.43008248007536e-19, 4.779020529194219e-19, 4.93827688661382e-19, 5.029969455377639e-19, 5.09421673840104e-19, 5.14846643922828e-19, 5.20167472524342e-19, 5.25805532099388e-19, 5.31829716243228e-19, 5.38087818175632e-19, 5.44344317931402e-19, 5.50360491192072e-19, 5.55952087644732e-19, 5.609957396885639e-19, 5.6543216678811e-19, 5.6924855153029795e-19, 5.72460915681468e-19, 5.751093136574699e-19, 5.772386064040559e-19, 5.7889846139688e-19, 5.801321374050599e-19, 5.80978086667812e-19, 5.81468352717816e-19, 5.81626968204582e-19, 5.814571374813779e-19, 5.809043865426479e-19, 5.79896617439862e-19, 5.78344108281516e-19, 5.76139513233132e-19, 5.73148249457454e-19, 5.6921330364435e-19, 5.64144016774374e-19, 5.5770166452906e-19, 5.495930485843859e-19, 5.394304421949239e-19, 5.26686729248088e-19, 5.10644134611846e-19, 4.90301297889948e-19, 4.64273938470618e-19, 4.3066027268929796e-19, 3.8685516133910393e-19, 3.2931619188226195e-19, 2.5327368447935397e-19, 1.522801599198372e-19, 1.7287165445533197e-20, -1.6553368547161198e-19, -4.1953956467270398e-19, -7.860807284693219e-19, -1.338200409605526e-18, -2.2087927511650796e-18]
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: -0.09604918 eV

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

Energy: 0.010319859351196574
Energy: -5022.885150678836
Energy: 0.06642751544567219
Energy: 0.011331223789865869
Energy: -5022.798977703027
Energy: 0.011393139876689445
Energy: -5022.885150678836
Energy: -5022.642923932403
Energy: -5023.01795409867
Energy: -5022.953395157041
Energy: -5022.214108829299
Energy: -5023.213992607785
Energy: 0.06642751544590333
Energy: -5023.01795409867
Energy: -5022.771521272053
Energy: 0.010818950036634665
Energy: -5022.7541069780955
Energy: -5023.398264810132
Energy: 0.01133122378963472
Energy: -5022.953395157041
Energy: 0.010818950045649466
Energy: 0.01178533165537673
Energy: -5022.879041561344
Energy: 0.011612018039327493
Energy: -5022.798977703027
Energy: -5022.214108829299
Energy: -5022.7541069780955
Energy: -5022.879041561344
Energy: -5022.437818750637
Energy: -5023.028197286446
Energy: 0.01139313987825612
Energy: -5023.213992607785
Energy: -5023.398264810132
Energy: 0.01161201800249779
Energy: -5023.028197286491
Energy: 0.010902523119523524

minimum gb energy = -5023.398264810132 eV
minimum distance =  2.96221766215539 Angstroms
sigma value = 1


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

Energy: -1235.5933387834755
Energy: -3089.140301724763
Energy: -1235.967616897371
Energy: -1236.2193583769163
Energy: -2123.83431590559
Energy: -1242.3504039778013
Energy: -3089.989077400989
Energy: -1852.9947343453066
Energy: -3089.469165396197
Energy: -3088.8406409361555
Energy: -1852.6819790265322
Energy: -2045.8798344742534
Energy: -2668.8074418146844
Energy: -1254.3094044185846
Energy: -1326.5975041641325
Energy: -1236.2992670643478
Energy: -1234.9844667586342
Energy: -1788.5229088249675
Energy: -2471.7425902618606
Energy: -1402.8063668978039
Energy: -1235.6559085508504
Energy: -1267.6352915948607
Energy: -1520.1301663127044
Energy: -1240.4289124225995
Energy: -1278.595834791648
Energy: -624.0705487169735
Energy: -1852.027134934144
Energy: -2470.7639071667345
Energy: -615.6653619226723
Energy: -1856.3801655800273
Energy: -1246.4814468027569
Energy: -1852.7861826356182
Energy: -1852.7884523431596
Energy: -1244.7902862209166
Energy: -1852.6405287974396
Energy: -1853.4040117148354
Energy: -2471.6524751238835
Energy: -1852.943777782479
Energy: -1242.758716069323
Energy: -1254.6346421642888
Energy: -1854.1839682226002
Energy: -1237.0432430478434
Energy: -1244.6682904940794
Energy: -1235.18584972494
Energy: -1235.014491385846
Energy: -616.4024451673703
Energy: -1235.3280523286192
Energy: -672.4524857637889
Energy: -1235.111983446228
Energy: -1865.9725694789317
Energy: -2034.854416178141
Energy: -1853.9988645635858
Energy: -2156.8634935702066
Energy: -633.741527640472
Energy: -1234.2061997108137
Energy: -1853.030912053293
Energy: -1853.2113204626382
Energy: -1329.2002287277612
Energy: -1885.2275559730201
Energy: -1852.1693680485673
Energy: -1853.3669738667074
Energy: -1235.6488813499595
Energy: -1235.6496708654283
Energy: -1852.351285155113
Energy: -1235.7792471791013
Energy: -1306.661521927903
Energy: -617.4271446754165
Energy: -3089.6668998092005
Energy: -1858.2445483493086
Energy: -620.3865867926463
Energy: -2458.4552366442836
Energy: -2021.9059872486348
Energy: -1235.0999067623284
Energy: -2496.062732528308
Energy: -3707.550073998816
Energy: -2447.350195663106
Energy: -2559.9785830612077
Energy: -2472.0218078006887
Energy: -2470.932288412955
Energy: -1235.6352544399294
Energy: -1235.6492616592354
Energy: -2471.09068614324
Energy: -1235.7503319175983
Energy: -1305.5506772444126
Energy: -615.4831290046451
Energy: -2471.9995159150913
Energy: -2470.6770661892647
Energy: -670.5455374502745
Energy: -2472.7256859831864
Energy: -2470.6283350184985
Energy: -616.0249063114022
Energy: -1312.0035796379439
Energy: -2470.8953744335195
Energy: -1854.336840688813
Energy: -2471.0537127320567
Energy: -1252.3900735913662
Energy: -643.0910822959136
Energy: -1235.3379890059937
Energy: -1235.237833300227
Energy: -1238.7489521956668
Energy: -1235.4201162538357
Energy: -1289.1447311967331
Energy: -1289.1447311967331
Energy: -1852.7171138884935
Energy: -625.0003811954783
Energy: -625.0003811954783
Energy: -1853.1607123436227
Energy: -2173.564381529955
Energy: -628.6031129255833
Energy: -1539.1852826665868
Energy: -1851.9323451664914
Energy: -1852.7658653690116
Energy: -1237.6182170118539
Energy: -3082.8753833473274
Energy: -1840.7950118764393
Energy: -1852.9391875108115
Energy: -1852.42550490895
Energy: -663.8803573539271
Energy: -1234.6157360110483
Energy: -1864.7178942682556
Energy: -2473.3437845075964
Energy: -1853.8977538521049
Energy: -1235.583046364481
Energy: -1235.583046364481
Energy: -1837.4189292713147
Energy: -1240.6445856662758
Energy: -2471.65300512481
Energy: -632.5056073710126
Energy: -692.4672145388272
Energy: -1235.6571382646482
Energy: -673.3300221616354
Energy: -1852.4785982836743
Energy: -2470.962872637038
Energy: -1854.1347725918172
Energy: -1877.5405294370223
Energy: -2470.9619632178324
Energy: -1853.6340011919178
Energy: -3070.4782802235654

minimum gb energy = -3707.550073998816 eV
minimum distance =  0.00270102130982223 Angstroms
sigma value = 33


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

Energy: -2812.770779042694