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 08:59:33      -15.631907        0.5539
BFGS:    1 08:59:33      -15.644389        0.4980
BFGS:    2 08:59:33      -15.694268        0.1755
BFGS:    3 08:59:33      -15.702189        0.0208
BFGS:    4 08:59:33      -15.702315        0.0017
BFGS:    5 08:59:33      -15.702316        0.0000
BFGS:    6 08:59:33      -15.702316        0.0000
BFGS:    7 08:59:33      -15.702316        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2920608900223834e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.03518555e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.720936674947083, -9.859051089484133e-33, -5.133971588601028e-33], [6.553555345744734e-33, 3.720936674947083, 4.734878964077222e-18], [9.554045017779706e-33, 4.73487896407721e-18, 3.720936674947083]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.29206089e-12 2.29206089e-12 2.29206089e-12 1.99605956e-28
 1.48376339e-34 5.88248454e-51]
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