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_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_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 09:25:10      -11.289627         4.573856
BFGS:    1 09:25:10      -11.970217         4.470205
BFGS:    2 09:25:10      -12.622441         4.196144
BFGS:    3 09:25:10      -13.220709         3.752094
BFGS:    4 09:25:10      -13.739982         3.149732
BFGS:    5 09:25:10      -14.165400         2.525051
BFGS:    6 09:25:11      -14.498819         1.923190
BFGS:    7 09:25:11      -14.743094         1.335444
BFGS:    8 09:25:11      -14.900437         0.764827
BFGS:    9 09:25:11      -14.973699         0.219491
BFGS:   10 09:25:11      -14.980626         0.010471
BFGS:   11 09:25:11      -14.980644         0.001456
BFGS:   12 09:25:11      -14.980644         0.000276
BFGS:   13 09:25:11      -14.980644         0.000001
BFGS:   14 09:25:11      -14.980644         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.06531951713336e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[3.64948971e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.7497174702188656, -5.003423898936133e-33, 3.8363627297725274e-33], [-1.4451578173237163e-32, 3.7497174702188656, 3.273345417936667e-17], [-4.051281963190538e-33, 3.2733454179366666e-17, 3.7497174702188656]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.06531952e-10  1.06531952e-10  1.06531952e-10 -3.68344860e-28
  1.46107368e-34  7.02936723e-52]
energy per atom =  -3.715409372090168
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0