element(s):
['Pd', 'V']
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:
['3.9179']
model name:
MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'V']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9179, 0, 0], [0, 3.9179, 0], [0, 0, 3.9179]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:30      -18.381414        0.6980
BFGS:    1 15:45:30      -18.400356        0.5677
BFGS:    2 15:45:30      -18.434613        0.0581
BFGS:    3 15:45:30      -18.434938        0.0042
BFGS:    4 15:45:30      -18.434940        0.0000
BFGS:    5 15:45:30      -18.434940        0.0000
BFGS:    6 15:45:30      -18.434940        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.208959741394296e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'V']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.8692723054706217, -1.7265947573833356e-32, 1.4457775841061786e-33], [1.1152263293070542e-32, 3.8692723054706217, -3.874988792150611e-19], [1.0026795316756401e-33, -3.8749887921505467e-19, 3.8692723054706217]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.20895974e-15  3.20895974e-15  3.20895974e-15 -7.29287670e-31
  1.37217853e-34 -3.77160150e-50]
energy per atom =  -4.608734952339997
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0