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_KimJungLee_2009_FeTiC__MO_110119204723_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 16:56:13       -8.456600         1.128650
BFGS:    1 16:56:13       -8.505880         0.904932
BFGS:    2 16:56:13       -8.580292         0.041484
BFGS:    3 16:56:13       -8.580416         0.007227
BFGS:    4 16:56:13       -8.580419         0.000046
BFGS:    5 16:56:13       -8.580419         0.000000
BFGS:    6 16:56:13       -8.580419         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.739474376212446e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.863645776725323, 3.3883465898831294e-33, -1.6742329239343113e-33], [3.33790381013928e-33, 2.863645776725323, 1.4154132815516599e-18], [1.5023519901775352e-33, 1.4154132815516121e-18, 2.863645776725323]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.73947438e-14 -2.73947438e-14 -2.73947438e-14 -9.05023321e-32
  7.51539604e-34 -2.89100304e-51]
energy per atom =  -4.290209683858313
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0