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 16:55:30       -8.088754         1.282857
BFGS:    1 16:55:30       -8.152953         1.042917
BFGS:    2 16:55:30       -8.243940         0.113805
BFGS:    3 16:55:30       -8.244859         0.013896
BFGS:    4 16:55:30       -8.244873         0.000027
BFGS:    5 16:55:30       -8.244873         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.395885854577513e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8553236660496992, -9.951141404197086e-33, -3.879272515588804e-33], [-8.83640528708914e-33, 2.8553236660496992, 2.2357025604647924e-18], [7.49867636461344e-33, 2.2357025604647408e-18, 2.8553236660496992]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.39588585e-10  5.39588585e-10  5.39588585e-10  4.38646495e-26
 -3.77963427e-34 -1.88087119e-50]
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