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:
Sim_LAMMPS_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_000
==== 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 17:54:32       -8.088754        1.2829
BFGS:    1 17:54:32       -8.152953        1.0429
BFGS:    2 17:54:32       -8.243940        0.1138
BFGS:    3 17:54:32       -8.244859        0.0139
BFGS:    4 17:54:32       -8.244873        0.0000
BFGS:    5 17:54:32       -8.244873        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.395889509710645e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8553236660496997, -1.5620769002571972e-32, -2.964534193035297e-33], [-3.7139174465359514e-33, 2.8553236660496997, 1.022524029803561e-18], [8.201935427807669e-34, 1.0225240298035103e-18, 2.8553236660496997]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.39588951e-10  5.39588951e-10  5.39588951e-10 -2.48903968e-28
  3.82783738e-59 -7.99351634e-59]
energy per atom =  -4.122089894639035
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0