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_WuLeeSu_2017_NiCrFe__MO_912636107108_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 17:02:31      -63.969165         1.720031
BFGS:    1 17:02:31      -64.094820         1.689024
BFGS:    2 17:02:32      -64.343308         1.623630
BFGS:    3 17:02:32      -64.581750         1.555068
BFGS:    4 17:02:32      -64.809664         1.483234
BFGS:    5 17:02:33      -65.026551         1.408018
BFGS:    6 17:02:33      -65.231895         1.329309
BFGS:    7 17:02:34      -65.425163         1.246989
BFGS:    8 17:02:34      -65.605806         1.160942
BFGS:    9 17:02:34      -65.773253         1.071043
BFGS:   10 17:02:35      -65.926920         0.977168
BFGS:   11 17:02:35      -66.066199         0.879187
BFGS:   12 17:02:36      -66.190464         0.776965
BFGS:   13 17:02:36      -66.299069         0.670366
BFGS:   14 17:02:36      -66.391348         0.559248
BFGS:   15 17:02:37      -66.466610         0.443465
BFGS:   16 17:02:37      -66.524146         0.322867
BFGS:   17 17:02:38      -66.563222         0.197300
BFGS:   18 17:02:38      -66.583080         0.066605
BFGS:   19 17:02:38      -66.585556         0.002059
BFGS:   20 17:02:39      -66.585559         0.000021
BFGS:   21 17:02:39      -66.585559         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.6688569044999963e-30 eV/Angstrom
Maximum stress component: 5.468391473010462e-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 8.39445723e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.55501151e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.38584824e-49 0.00000000e+00]
 [2.38584824e-49 5.00000000e-01 5.03667434e-35]
 [5.96462061e-50 2.93806003e-35 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([[5.735719089865197, 2.105343195714165e-32, -5.2368778777217626e-33], [1.9764713450741268e-32, 5.735719089865197, -2.3809538234945493e-19], [5.191263978598477e-33, -2.3809538234945696e-19, 5.735719089865197]])
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]
 [ 9.42642615e-31 -2.59226719e-31  2.41846746e-30]
 [-2.45970807e-31  4.71321308e-32  2.10916285e-30]
 [ 6.30392249e-31 -2.35660654e-31 -2.46265383e-30]
 [-3.53490981e-31  8.26621861e-50 -1.99133252e-30]
 [ 2.59226719e-31  1.88528523e-31 -2.21521015e-30]
 [-8.71944419e-31  1.10760507e-30 -1.34326573e-30]
 [-7.89463190e-31  9.36751099e-31  2.66885690e-30]
 [-2.09148830e-31  2.82792785e-31  1.91179705e-30]]
stress =  [ 5.46839147e-10  5.46839147e-10  5.46839147e-10 -1.09736134e-28
  1.56110988e-35 -4.39333256e-54]
energy per atom =  -4.161597417751693
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0