element(s):
['Cr', 'Fe']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2505']
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.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.2505, 0, 0], [0, 4.2505, 0], [0, 0, 4.2505]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:00      -11.687987        3.9468
BFGS:    1 15:45:00      -12.273814        3.8422
BFGS:    2 15:45:00      -12.834208        3.6084
BFGS:    3 15:45:00      -13.349970        3.2475
BFGS:    4 15:45:00      -13.802443        2.7697
BFGS:    5 15:45:00      -14.179844        2.2616
BFGS:    6 15:45:00      -14.480732        1.7496
BFGS:    7 15:45:00      -14.704551        1.2341
BFGS:    8 15:45:00      -14.850781        0.7151
BFGS:    9 15:45:00      -14.918936        0.1931
BFGS:   10 15:45:00      -14.924270        0.0008
BFGS:   11 15:45:01      -14.924270        0.0000
BFGS:   12 15:45:01      -14.924270        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.988460149856348e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.64225425e-33]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.7527537620701614, 2.739634969856244e-34, -1.4064851521314325e-33], [3.693591842621304e-33, 3.7527537620701614, 3.183521431008676e-17], [7.910272868790353e-33, 3.183521431008675e-17, 3.7527537620701614]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.98846015e-13  2.98846015e-13  2.98846015e-13  6.77340763e-29
  7.29355186e-35 -6.30306109e-51]
energy per atom =  -3.731067504305328
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0