element(s):
['Cr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6528']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_CoCr__MO_410167849923_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:07:23      -16.051888         0.033718
BFGS:    1 15:07:23      -16.051933         0.028743
BFGS:    2 15:07:23      -16.052052         0.000139
BFGS:    3 15:07:23      -16.052052         0.000001
BFGS:    4 15:07:23      -16.052052         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.199122377575684e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.64983099037999, -1.6610628311989705e-41, -7.21852210069745e-33], [-1.6774437124395332e-41, 3.64983099037999, 5.4281364467852346e-21], [8.762695802865432e-33, 5.428136446776229e-21, 3.64983099037999]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.19912238e-13  9.19912238e-13  9.19912238e-13 -5.69028037e-35
 -1.92767455e-35  3.43422790e-59]
energy per atom =  -4.013013100055112
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0