element(s):
['Co', 'Fe']
AFLOW prototype label:
AB7_cI16_229_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:
['5.9417']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  229
cell =  [[5.9417, 0, 0], [0, 5.9417, 0], [0, 0, 5.9417]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:08:47      -68.091055         1.336315
BFGS:    1 12:08:47      -68.166673         1.304311
BFGS:    2 12:08:47      -68.355886         1.217904
BFGS:    3 12:08:47      -68.531852         1.127659
BFGS:    4 12:08:47      -68.693986         1.033454
BFGS:    5 12:08:47      -68.841684         0.935161
BFGS:    6 12:08:47      -68.974323         0.832648
BFGS:    7 12:08:48      -69.091260         0.725781
BFGS:    8 12:08:48      -69.191833         0.614421
BFGS:    9 12:08:48      -69.275355         0.498426
BFGS:   10 12:08:48      -69.341121         0.377647
BFGS:   11 12:08:48      -69.388402         0.251935
BFGS:   12 12:08:48      -69.416447         0.121132
BFGS:   13 12:08:48      -69.424588         0.004678
BFGS:   14 12:08:48      -69.424600         0.000082
BFGS:   15 12:08:48      -69.424600         0.000000
BFGS:   16 12:08:48      -69.424600         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.723215920625954e-30 eV/Angstrom
Maximum stress component: 5.182000778090101e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[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 2.69653207e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 2.02819703e-67 1.19750080e-49]
 [0.00000000e+00 5.00000000e-01 1.34826603e-34]
 [1.19750080e-49 2.69653207e-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([[5.713798007722859, 1.4375831809547475e-32, -8.578209724773665e-33], [1.9522755651230108e-32, 5.713798007722859, -9.677411641121006e-18], [7.719901784237512e-33, -9.677411641121016e-18, 5.713798007722859]])
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]
 [ 4.34305987e-31 -3.75615989e-31  3.46270990e-31]
 [ 1.40855996e-31 -1.65505795e-30 -2.16566094e-30]
 [-5.63423984e-31  2.72321592e-30  1.83112795e-30]
 [ 6.45589981e-32 -1.11510997e-31  1.88865238e-49]
 [ 1.87807995e-31  1.92503194e-30  2.39455193e-30]
 [ 7.98183977e-31 -3.81484989e-31 -2.81711992e-31]
 [ 1.10337197e-30 -2.40042093e-30 -7.80576977e-31]
 [ 2.81711992e-31  3.28663990e-31  9.39039973e-32]]
stress =  [-5.18200078e-14 -5.18200078e-14 -5.18200078e-14 -9.51443139e-34
 -3.14622260e-35  3.77863924e-52]
energy per atom =  -4.339037513309458
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0