element(s):
['Co', 'Cr']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7391']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_CoCr__MO_410167849923_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Cr']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7391, 0, 0], [0, 3.7391, 0], [0, 0, 3.7391]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:23:04      -16.389077         1.830978
BFGS:    1 09:23:04      -16.526640         1.672550
BFGS:    2 09:23:04      -16.752187         1.324461
BFGS:    3 09:23:04      -16.920722         0.911207
BFGS:    4 09:23:04      -17.021920         0.425341
BFGS:    5 09:23:04      -17.046220         0.066036
BFGS:    6 09:23:04      -17.046767         0.003814
BFGS:    7 09:23:04      -17.046769         0.000031
BFGS:    8 09:23:04      -17.046769         0.000000
BFGS:    9 09:23:04      -17.046769         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.4316729955942186e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Cr']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.08849186e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5387126388411674, 1.731554172452046e-32, -1.6212329595979353e-33], [-2.1917828972689197e-32, 3.5387126388411674, -5.858364378117781e-18], [7.440398314906093e-33, -5.858364378117774e-18, 3.5387126388411674]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.43167300e-15  5.43167300e-15  5.43167300e-15  2.08404878e-30
 -4.92152697e-34 -7.89873614e-50]
energy per atom =  -4.261692327301108
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0