element(s):
['Al', 'Sm']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9921']
model name:
EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Sm']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[4.9921, 0, 0], [0, 4.9921, 0], [0, 0, 4.9921]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:43:50      -17.813101         0.758741
BFGS:    1 16:43:50      -17.836675         0.691035
BFGS:    2 16:43:50      -17.916213         0.366514
BFGS:    3 16:43:50      -17.945634         0.021060
BFGS:    4 16:43:50      -17.945726         0.001063
BFGS:    5 16:43:50      -17.945726         0.000004
BFGS:    6 16:43:50      -17.945726         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.120744662190751e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Sm', 'Sm', 'Sm']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 4.9635856e-36 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[4.850147905650409, 4.606030335882611e-33, -6.367777902480885e-34], [-1.6475114883076362e-33, 4.850147905650409, 2.8415583617449235e-19], [-4.983812944403873e-33, 2.8415583617449683e-19, 4.850147905650409]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.12074466e-11  2.12074466e-11  2.12074466e-11 -4.87133772e-27
  1.74658304e-34 -4.35225113e-50]
energy per atom =  -4.486431528614919
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0