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_LeeShimPark_2001_FeCr__MO_150993986463_001
==== 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 16:56:14       -8.456215         1.128478
BFGS:    1 16:56:14       -8.505480         0.904798
BFGS:    2 16:56:14       -8.579873         0.041375
BFGS:    3 16:56:14       -8.579996         0.007207
BFGS:    4 16:56:14       -8.580000         0.000045
BFGS:    5 16:56:14       -8.580000         0.000000
BFGS:    6 16:56:14       -8.580000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6916197177705974e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.863657319651393, 9.740370828451263e-33, -5.4855394064455584e-33], [6.041176040926538e-33, 2.863657319651393, 7.899464293988411e-19], [2.7066780435096436e-33, 7.899464293987906e-19, 2.863657319651393]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.69161972e-14 -2.69161972e-14 -2.69161972e-14  1.10501577e-31
  1.56569489e-35 -3.14570901e-53]
energy per atom =  -4.290000011227214
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0