element(s):
['Cr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8741']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_CrMn__MO_671124822359_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.8741, 0, 0], [0, 2.8741, 0], [0, 0, 2.8741]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:50:51       -8.199264         0.103122
BFGS:    1 16:50:51       -8.199649         0.071000
BFGS:    2 16:50:51       -8.200000         0.001203
BFGS:    3 16:50:51       -8.200000         0.000014
BFGS:    4 16:50:51       -8.200000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9972804692335857e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8809780282941446, 7.95118832279657e-33, 2.932425632411301e-33], [6.178464851611532e-33, 2.8809780282941446, 1.0362624173640604e-18], [-4.631155558994569e-33, 1.0362624173640654e-18, 2.8809780282941446]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.99728047e-10 -1.99728047e-10 -1.99728047e-10  1.16630739e-26
  7.71723039e-36 -4.86576302e-52]
energy per atom =  -4.1000000030700985
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0