element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8057']
model name:
Sim_LAMMPS_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.8057, 0, 0], [0, 3.8057, 0], [0, 0, 3.8057]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:19:50      -15.631907         0.553927
BFGS:    1 13:19:50      -15.644389         0.498019
BFGS:    2 13:19:50      -15.694268         0.175456
BFGS:    3 13:19:50      -15.702189         0.020844
BFGS:    4 13:19:51      -15.702315         0.001663
BFGS:    5 13:19:51      -15.702316         0.000020
BFGS:    6 13:19:51      -15.702316         0.000000
BFGS:    7 13:19:51      -15.702316         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2920616083657828e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.720936674947083, -2.089495505840361e-32, 1.2833586390279354e-32], [-1.6620275832021494e-32, 3.720936674947083, 4.6267521070994645e-18], [4.770979548615356e-33, 4.62675210709947e-18, 3.720936674947083]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.29206161e-12  2.29206161e-12  2.29206161e-12 -1.74088297e-29
  1.48376339e-34 -9.33982058e-52]
energy per atom =  -3.9154308549403822
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0