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_SaLee_2008_FeTi__MO_260546967793_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 16:08:42       -8.456600         1.128650
BFGS:    1 16:08:42       -8.505880         0.904932
BFGS:    2 16:08:42       -8.580292         0.041484
BFGS:    3 16:08:42       -8.580416         0.007227
BFGS:    4 16:08:42       -8.580419         0.000046
BFGS:    5 16:08:42       -8.580419         0.000000
BFGS:    6 16:08:42       -8.580419         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.847969158783999e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.863645776725314, 3.124132010574023e-34, -3.667494294102907e-33], [4.3893041002692405e-35, 2.863645776725314, 2.478383124322847e-19], [3.250144432607207e-33, 2.4783831243223247e-19, 2.863645776725314]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.84796916e-14 -2.84796916e-14 -2.84796916e-14  3.60985721e-30
  2.50513201e-34 -8.17949948e-50]
energy per atom =  -4.290209683858241
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0