element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0773']
model name:
MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.0773, 0, 0], [0, 6.0773, 0], [0, 0, 6.0773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:45      -64.151461         1.726717
BFGS:    1 16:35:45      -64.278078         1.695149
BFGS:    2 16:35:45      -64.527418         1.628869
BFGS:    3 16:35:45      -64.766582         1.559439
BFGS:    4 16:35:45      -64.995087         1.486754
BFGS:    5 16:35:45      -65.212440         1.410709
BFGS:    6 16:35:45      -65.418127         1.331195
BFGS:    7 16:35:45      -65.611619         1.248101
BFGS:    8 16:35:45      -65.792372         1.161309
BFGS:    9 16:35:45      -65.959821         1.070703
BFGS:   10 16:35:45      -66.113386         0.976159
BFGS:   11 16:35:45      -66.252466         0.877552
BFGS:   12 16:35:45      -66.376442         0.774754
BFGS:   13 16:35:45      -66.484676         0.667630
BFGS:   14 16:35:45      -66.576508         0.556044
BFGS:   15 16:35:45      -66.651259         0.439855
BFGS:   16 16:35:45      -66.708227         0.318919
BFGS:   17 16:35:46      -66.746690         0.193086
BFGS:   18 16:35:46      -66.765900         0.062204
BFGS:   19 16:35:46      -66.768060         0.001816
BFGS:   20 16:35:46      -66.768062         0.000016
BFGS:   21 16:35:46      -66.768062         0.000000
Minimization converged after 21 steps.
Maximum force component: 1.0465868884891848e-30 eV/Angstrom
Maximum stress component: 3.4012838698269613e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', '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 3.35744186e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.01446511e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 3.35744186e-34]
 [1.03991478e-66 3.35744186e-34 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.736301702976215, 3.4496550778224026e-32, 6.60980915735013e-32], [-1.776729176290495e-32, 5.736301702976215, -3.9171467238450444e-18], [-5.000647404919686e-32, -3.9171467238449466e-18, 5.736301702976215]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.00165951e-31 -1.41410755e-31  1.04658689e-30]
 [-4.02136834e-31  2.29055962e-31  5.79636792e-31]
 [ 1.69398300e-31  1.23734410e-31 -1.01344374e-30]
 [-2.53360936e-31  1.60928385e-31 -1.00755163e-30]
 [ 2.35684591e-31  2.06224017e-31 -6.65808971e-31]
 [ 1.62769671e-31 -2.03876378e-31 -5.53858790e-31]
 [-4.12448035e-32 -2.90186653e-31  4.57375410e-31]
 [ 1.72344357e-31  2.41576706e-31  6.73542371e-31]]
stress =  [ 3.40128387e-10  3.40128387e-10  3.40128387e-10  2.43453016e-26
  6.24317112e-35 -1.02544824e-52]
energy per atom =  -4.173003863875741
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0