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 13:53:33      -67.196643        1.0719
BFGS:    1 13:53:33      -67.245385        1.0499
BFGS:    2 13:53:33      -67.397377        0.9761
BFGS:    3 13:53:33      -67.538079        0.8994
BFGS:    4 13:53:33      -67.667038        0.8195
BFGS:    5 13:53:33      -67.783785        0.7365
BFGS:    6 13:53:33      -67.887839        0.6503
BFGS:    7 13:53:33      -67.978705        0.5607
BFGS:    8 13:53:33      -68.055871        0.4676
BFGS:    9 13:53:33      -68.118812        0.3710
BFGS:   10 13:53:33      -68.166984        0.2707
BFGS:   11 13:53:33      -68.199831        0.1666
BFGS:   12 13:53:33      -68.216777        0.0587
BFGS:   13 13:53:33      -68.219108        0.0017
BFGS:   14 13:53:33      -68.219110        0.0000
BFGS:   15 13:53:33      -68.219110        0.0000
Minimization converged after 15 steps.
Maximum force component: 1.0823663478546613e-30 eV/Angstrom
Maximum stress component: 3.5140335065700845e-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]
 [0.00000000e+00 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 3.71335729e-50]
 [4.75309733e-49 5.00000000e-01 0.00000000e+00]
 [8.91205749e-50 3.34469490e-35 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([[5.758163307120464, -3.471497324214576e-32, 4.001817313319574e-34], [-2.6357396513699864e-32, 5.758163307120464, -1.9305149566250107e-18], [4.934865923996862e-34, -1.9305149566250072e-18, 5.758163307120464]])
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]
 [-2.66155659e-31 -2.95728510e-31  1.02913522e-30]
 [ 1.27163259e-31  5.81106523e-31  7.86637838e-31]
 [-3.93318919e-31 -5.08653038e-31 -9.28587522e-31]
 [-2.95728510e-32  6.45797134e-31 -1.00547694e-30]
 [ 1.06462264e-31 -6.09200731e-31 -1.08236635e-30]
 [ 3.19386791e-31  5.78888559e-31 -9.34502093e-31]
 [ 3.66703353e-31  7.03833855e-31  9.68510871e-31]
 [ 1.21248689e-31 -4.02190774e-31  8.78313676e-31]]
stress =  [ 3.51403351e-10  3.51403351e-10  3.51403351e-10 -8.09536933e-28
  4.71418115e-60 -3.93941494e-58]
energy per atom =  -4.263694354684349
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0