element(s):
['Co', 'Fe']
AFLOW prototype label:
AB15_cP16_221_a_bcdg
Parameter names:
['a', 'x5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9305', '0.24462472']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe', 'Fe', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.5        0.5        0.5       ]
 [0.         0.5        0.5       ]
 [0.5        0.         0.        ]
 [0.24462472 0.24462472 0.24462472]]
spacegroup =  221
cell =  [[5.9305, 0, 0], [0, 5.9305, 0], [0, 0, 5.9305]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:47:49      -67.894832         1.170066
BFGS:    1 12:47:50      -67.962852         1.146244
BFGS:    2 12:47:50      -68.151090         1.070366
BFGS:    3 12:47:50      -68.318292         0.988332
BFGS:    4 12:47:50      -68.465160         0.900375
BFGS:    5 12:47:51      -68.592466         0.806710
BFGS:    6 12:47:51      -68.701054         0.707543
BFGS:    7 12:47:51      -68.791840         0.603062
BFGS:    8 12:47:51      -68.865814         0.493436
BFGS:    9 12:47:51      -68.924050         0.378804
BFGS:   10 12:47:51      -68.967730         0.283397
BFGS:   11 12:47:52      -68.998212         0.277618
BFGS:   12 12:47:52      -69.017254         0.225793
BFGS:   13 12:47:52      -69.025470         0.154130
BFGS:   14 12:47:52      -69.032905         0.040532
BFGS:   15 12:47:52      -69.034248         0.013462
BFGS:   16 12:47:53      -69.034351         0.001162
BFGS:   17 12:47:53      -69.034352         0.000120
BFGS:   18 12:47:53      -69.034352         0.000003
BFGS:   19 12:47:53      -69.034352         0.000000
BFGS:   20 12:47:53      -69.034352         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.411220920555772e-10 eV/Angstrom
Maximum stress component: 3.395142278025329e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Fe', '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 2.69326891e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 9.56841330e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.91368266e-48 0.00000000e+00 5.00000000e-01]
 [2.49223536e-01 2.49223536e-01 2.49223536e-01]
 [7.50776464e-01 7.50776464e-01 2.49223536e-01]
 [7.50776464e-01 2.49223536e-01 7.50776464e-01]
 [2.49223536e-01 7.50776464e-01 7.50776464e-01]
 [2.49223536e-01 2.49223536e-01 7.50776464e-01]
 [7.50776464e-01 7.50776464e-01 7.50776464e-01]
 [2.49223536e-01 7.50776464e-01 2.49223536e-01]
 [7.50776464e-01 2.49223536e-01 2.49223536e-01]]
cellpar =  Cell([[5.720720829174102, 4.3068321565363315e-32, 1.170138894323664e-32], [5.44657793074427e-32, 5.720720829174102, -7.308807679960425e-18], [-5.272625296356538e-32, -7.308807679960393e-18, 5.720720829174102]])
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]
 [-2.41122092e-10 -2.41122092e-10 -2.41122092e-10]
 [ 2.41122092e-10  2.41122092e-10 -2.41122092e-10]
 [ 2.41122092e-10 -2.41122092e-10  2.41122092e-10]
 [-2.41122092e-10  2.41122092e-10  2.41122092e-10]
 [-2.41122092e-10 -2.41122092e-10  2.41122092e-10]
 [ 2.41122092e-10  2.41122092e-10  2.41122092e-10]
 [-2.41122092e-10  2.41122092e-10 -2.41122092e-10]
 [ 2.41122092e-10 -2.41122092e-10 -2.41122092e-10]]
stress =  [ 3.39514228e-11  3.39514228e-11  3.39514228e-11 -1.72282145e-27
 -2.51089002e-34 -1.05645568e-51]
energy per atom =  -4.314646980732527
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0