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_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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 08:59:34      -15.075777        0.5930
BFGS:    1 08:59:34      -15.090211        0.5429
BFGS:    2 08:59:34      -15.149540        0.2485
BFGS:    3 08:59:34      -15.165350        0.0016
BFGS:    4 08:59:34      -15.165351        0.0000
BFGS:    5 08:59:35      -15.165351        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.9158399536169746e-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([[3.7096657255229744, -1.357342230414622e-32, 4.192131726664637e-34], [-2.4910671409230773e-33, 3.7096657255229744, -4.4423251227317165e-20], [9.447179402914641e-34, -4.442325122731252e-20, 3.7096657255229744]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.91583995e-12  6.91583995e-12  6.91583995e-12 -3.89242624e-29
  3.73198305e-35  6.65240696e-52]
energy per atom =  -3.7913377783367435
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0