element(s):
['Al', 'Fe']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9793']
model name:
MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.9793, 0, 0], [0, 5.9793, 0], [0, 0, 5.9793]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:16:52      -67.196643         1.071947
BFGS:    1 12:16:52      -67.245385         1.049931
BFGS:    2 12:16:52      -67.397377         0.976145
BFGS:    3 12:16:52      -67.538079         0.899380
BFGS:    4 12:16:52      -67.667038         0.819546
BFGS:    5 12:16:52      -67.783785         0.736549
BFGS:    6 12:16:52      -67.887839         0.650294
BFGS:    7 12:16:52      -67.978705         0.560683
BFGS:    8 12:16:52      -68.055871         0.467615
BFGS:    9 12:16:52      -68.118812         0.370987
BFGS:   10 12:16:52      -68.166984         0.270693
BFGS:   11 12:16:53      -68.199831         0.166624
BFGS:   12 12:16:53      -68.216777         0.058666
BFGS:   13 12:16:53      -68.219108         0.001671
BFGS:   14 12:16:53      -68.219110         0.000016
BFGS:   15 12:16:53      -68.219110         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.484557121920874e-30 eV/Angstrom
Maximum stress component: 3.514025588322035e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.37654866e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 1.48534292e-49]
 [4.75309733e-49 5.00000000e-01 0.00000000e+00]
 [2.97068583e-50 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.758163307120462, -2.1936736744728122e-32, 2.6788992204173473e-33], [-1.9385294322245263e-32, 5.758163307120462, -4.648845164204325e-18], [-2.623620366765626e-33, -4.648845164204317e-18, 5.758163307120462]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.28039829e-32  4.61336476e-31  9.22672952e-31]
 [ 5.20482178e-31 -3.69660638e-33 -1.48455712e-30]
 [-3.67812335e-31  2.36582808e-31 -8.04381548e-31]
 [ 5.91457021e-31 -3.08296972e-31 -1.06462264e-30]
 [-4.61336476e-31 -3.54874212e-31  2.95728510e-31]
 [-4.45071408e-31  3.63746068e-31  2.24753668e-31]
 [ 1.18291404e-32  2.75027515e-31 -3.75575208e-31]
 [-6.96440642e-31 -1.30120545e-31  1.32447096e-30]]
stress =  [ 3.51402559e-10  3.51402559e-10  3.51402559e-10 -9.50227411e-29
 -1.93620472e-35  8.64333845e-54]
energy per atom =  -4.263694354684355
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0