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_000
==== 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 17:02:30      -64.151461         1.726717
BFGS:    1 17:02:31      -64.278078         1.695149
BFGS:    2 17:02:31      -64.527418         1.628869
BFGS:    3 17:02:31      -64.766582         1.559439
BFGS:    4 17:02:32      -64.995087         1.486754
BFGS:    5 17:02:32      -65.212440         1.410709
BFGS:    6 17:02:32      -65.418127         1.331195
BFGS:    7 17:02:33      -65.611619         1.248101
BFGS:    8 17:02:33      -65.792372         1.161309
BFGS:    9 17:02:34      -65.959821         1.070703
BFGS:   10 17:02:34      -66.113386         0.976159
BFGS:   11 17:02:34      -66.252466         0.877552
BFGS:   12 17:02:34      -66.376442         0.774754
BFGS:   13 17:02:35      -66.484676         0.667630
BFGS:   14 17:02:35      -66.576508         0.556044
BFGS:   15 17:02:35      -66.651259         0.439855
BFGS:   16 17:02:36      -66.708227         0.318919
BFGS:   17 17:02:36      -66.746690         0.193086
BFGS:   18 17:02:37      -66.765900         0.062204
BFGS:   19 17:02:37      -66.768060         0.001816
BFGS:   20 17:02:37      -66.768062         0.000016
BFGS:   21 17:02:38      -66.768062         0.000000
Minimization converged after 21 steps.
Maximum force component: 4.124480348725851e-31 eV/Angstrom
Maximum stress component: 3.4012787584954426e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.71488371e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.20598957e-68 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.79136550e-67 2.68595349e-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([[5.736301702976214, 2.0083464217834725e-32, -9.940264861031644e-34], [-3.825759832229651e-33, 5.736301702976214, 4.639773862288801e-18], [1.562789282156794e-33, 4.6397738622888015e-18, 5.736301702976214]])
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]
 [ 1.62033157e-31  1.76763444e-31 -3.07494740e-32]
 [ 1.39937726e-31 -2.99024825e-31 -3.47634772e-31]
 [ 1.75290415e-31  2.12116132e-31  2.56306993e-31]
 [ 8.24896070e-32 -2.29792477e-31  2.76929395e-31]
 [-1.47302870e-31  1.59087099e-31  4.12448035e-31]
 [-1.72988807e-31 -3.94771691e-31  1.82655558e-31]
 [-9.72198939e-32 -3.91825633e-31 -2.45259278e-31]
 [-9.57468652e-32  1.64979214e-31  2.36421106e-31]]
stress =  [ 3.40127876e-10  3.40127876e-10  3.40127876e-10 -7.80026477e-28
  2.49726845e-34 -3.67813031e-51]
energy per atom =  -4.173003863875737
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0