element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
model name:
MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:55:02       -8.456215        1.1285
BFGS:    1 17:55:02       -8.505480        0.9048
BFGS:    2 17:55:02       -8.579873        0.0414
BFGS:    3 17:55:02       -8.579996        0.0072
BFGS:    4 17:55:02       -8.580000        0.0000
BFGS:    5 17:55:02       -8.580000        0.0000
BFGS:    6 17:55:02       -8.580000        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.857718498949184e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8636573196513915, 1.1182147767339012e-32, 6.03576056196331e-34], [1.0844324493173689e-32, 2.8636573196513915, 2.7224810955218114e-19], [5.11308762046125e-34, 2.7224810955213165e-19, 2.8636573196513915]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.85771850e-14 -2.85771850e-14 -2.85771850e-14 -6.17531604e-31
  1.45296749e-63 -2.31367399e-62]
energy per atom =  -4.290000011227216
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0