element(s):
['Co']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5032', '1.5893656']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_CoCr__MO_410167849923_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.5032, 0, 0], [-1.2516, 2.1678347907532, 0], [0, 0, 3.9785]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:50:45       -8.804731        0.5807
BFGS:    1 14:50:45       -8.809938        0.4480
BFGS:    2 14:50:45       -8.816714        0.0942
BFGS:    3 14:50:45       -8.817153        0.0989
BFGS:    4 14:50:45       -8.818152        0.0651
BFGS:    5 14:50:45       -8.818387        0.0234
BFGS:    6 14:50:45       -8.818427        0.0056
BFGS:    7 14:50:45       -8.818428        0.0004
BFGS:    8 14:50:45       -8.818428        0.0000
BFGS:    9 14:50:45       -8.818428        0.0000
BFGS:   10 14:50:45       -8.818428        0.0000
Minimization converged after 10 steps.
Maximum force component: 1.41365301264482e-32 eV/Angstrom
Maximum stress component: 5.453815154236506e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5023088965729525, -2.3634959055733e-18, 2.5595036500525296e-38], [-1.2511544482864763, 2.1670630725479842, 5.801689333660083e-38], [2.416864892715415e-37, 1.7011295616023486e-36, 4.075717409601763]])
forces =  [[ 1.28513910e-33 -2.22592622e-33 -4.18642464e-33]
 [-1.41365301e-32  6.67777866e-33  4.18642464e-33]]
stress =  [-2.06560617e-10 -2.06560617e-10 -5.45381515e-10  4.65182736e-34
 -1.21379101e-46  1.06432712e-25]
energy per atom =  -4.409213994256072
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0