element(s):
['Al', 'Sm']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.9275']
model name:
EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Sm']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[7.9275, 0, 0], [0, 7.9275, 0], [0, 0, 7.9275]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:52:26     -102.768392         0.812784
BFGS:    1 16:52:26     -102.796283         0.788592
BFGS:    2 16:52:27     -102.906755         0.684393
BFGS:    3 16:52:27     -103.001623         0.580633
BFGS:    4 16:52:27     -103.080997         0.477912
BFGS:    5 16:52:28     -103.145076         0.376783
BFGS:    6 16:52:28     -103.194137         0.277751
BFGS:    7 16:52:29     -103.228528         0.181246
BFGS:    8 16:52:29     -103.248656         0.087640
BFGS:    9 16:52:29     -103.254981         0.002922
BFGS:   10 16:52:30     -103.254988         0.000054
BFGS:   11 16:52:30     -103.254988         0.000000
BFGS:   12 16:52:31     -103.254988         0.000000
Minimization converged after 12 steps.
Maximum force component: 6.294291177127927e-31 eV/Angstrom
Maximum stress component: 1.8832221902448124e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm', 'Sm']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.60188218e-17]
 [5.60188218e-17 0.00000000e+00 5.00000000e-01]
 [5.60188218e-17 5.00000000e-01 5.60188218e-17]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[8.062951062262702, -8.211883900178857e-33, 1.478579735117242e-32], [1.0250289845893584e-32, 8.062951062262702, 3.853978870201745e-18], [4.267736899883138e-34, 3.853978870201755e-18, 8.062951062262702]])
forces =  [[-7.86786397e-32 -1.65639242e-32 -1.65639242e-31]
 [-2.79516220e-32 -4.96917725e-32  2.11190033e-31]
 [-3.80970255e-31 -3.31278483e-32 -2.15331014e-31]
 [-1.49075317e-31 -1.11806488e-31  1.17500337e-31]
 [ 2.48458862e-31 -7.03966776e-32  5.17622630e-32]
 [ 9.52425639e-32  4.14098104e-32 -1.03524526e-32]
 [-9.93835449e-32  2.98150635e-31  1.32511393e-31]
 [ 4.55507914e-32 -5.79737345e-32 -2.13260523e-31]
 [-8.48901113e-32 -7.86786397e-32  8.28196208e-32]
 [ 1.65639242e-32  9.93835449e-32  2.27753957e-32]
 [-2.70239656e-64 -2.15331014e-31  6.62556966e-32]
 [-2.87798182e-31  4.14098104e-33 -1.65639242e-31]
 [ 3.31278483e-32 -4.34803009e-32 -7.45376587e-32]
 [ 3.10573578e-32 -1.03524526e-31  1.57357279e-31]
 [ 1.90485128e-31  1.32511393e-31  2.17401504e-32]
 [ 1.75505016e-65  1.65639242e-32 -6.62556966e-32]
 [-1.32511393e-31  2.48458862e-32 -2.07049052e-31]
 [ 5.79737345e-32  3.97534180e-31  6.62556966e-32]
 [-9.11015828e-32 -3.31278483e-31 -1.90485128e-31]
 [ 9.93835449e-32 -3.47842407e-31 -7.45376587e-32]
 [-1.65639242e-31 -1.98767090e-31 -1.40793355e-31]
 [-1.24229431e-31  2.15331014e-31  1.02925241e-49]
 [-8.28196208e-32 -6.29429118e-31 -1.65639242e-31]
 [-9.93835449e-32  3.97534180e-31 -4.96917725e-32]]
stress =  [-1.88322219e-14 -1.88322219e-14 -1.88322219e-14  1.76002984e-30
 -7.89989229e-36 -2.69059102e-52]
energy per atom =  -4.302291157037303
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0