element(s):
['Al', 'Sm']
AFLOW prototype label:
A4B_tI10_139_de_a
Parameter names:
['a', 'c/a', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.288', '2.6274254', '0.61296745']
model name:
EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Sm']
representative atom coordinates =  [[0.         0.5        0.25      ]
 [0.         0.         0.61296745]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[4.288, 0, 0], [0, 4.288, 0], [0, 0, 11.2664]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:14:39      -39.420506        0.0670
BFGS:    1 18:14:39      -39.420650        0.0628
BFGS:    2 18:14:39      -39.421579        0.0247
BFGS:    3 18:14:39      -39.421595        0.0253
BFGS:    4 18:14:39      -39.421834        0.0357
BFGS:    5 18:14:39      -39.421893        0.0360
BFGS:    6 18:14:39      -39.422430        0.0421
BFGS:    7 18:14:39      -39.422779        0.0339
BFGS:    8 18:14:40      -39.422966        0.0110
BFGS:    9 18:14:40      -39.422986        0.0014
BFGS:   10 18:14:40      -39.422986        0.0001
BFGS:   11 18:14:40      -39.422986        0.0000
BFGS:   12 18:14:40      -39.422986        0.0000
BFGS:   13 18:14:40      -39.422986        0.0000
Minimization converged after 13 steps.
Maximum force component: 2.7268848352317637e-09 eV/Angstrom
Maximum stress component: 9.602265641421606e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Sm', 'Sm']
basis =  [[1.27263648e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 8.13048331e-34 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 6.12292017e-01]
 [1.59533685e-34 0.00000000e+00 3.87707983e-01]
 [5.00000000e-01 5.00000000e-01 1.12292017e-01]
 [5.00000000e-01 5.00000000e-01 8.87707983e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.263798062032411, 5.627338211183491e-38, 1.7627250017825664e-32], [-1.4625317401333112e-38, 4.26379806203241, -9.600196292939054e-19], [5.77711059101217e-33, -2.450593763092941e-18, 11.340041573412872]])
forces =  [[ 1.31388422e-32  1.31388422e-32 -8.73605025e-33]
 [ 6.56942109e-33 -1.31388422e-32  5.24163015e-32]
 [ 6.56942109e-33 -1.31388422e-32  9.82805654e-33]
 [ 1.31388422e-32  1.31388422e-32  1.74721005e-32]
 [-1.38919378e-42  5.89269266e-28 -2.72688484e-09]
 [ 1.38919378e-42 -5.89269266e-28  2.72688484e-09]
 [-1.38919378e-42  5.89269266e-28 -2.72688484e-09]
 [ 1.38919378e-42 -5.89269266e-28  2.72688484e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 9.60226564e-12  9.60226564e-12  6.20937956e-12 -4.03354250e-27
 -6.37307741e-35  5.64545171e-50]
energy per atom =  -3.942298641215514
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0