element(s):
['Fe', 'Pd']
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:
['3.8382']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pd']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.8382, 0, 0], [0, 3.8382, 0], [0, 0, 3.8382]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:32:19      -16.548444         1.109254
BFGS:    1 10:32:19      -16.598673         1.002928
BFGS:    2 10:32:19      -16.721822         0.629019
BFGS:    3 10:32:19      -16.784178         0.191069
BFGS:    4 10:32:19      -16.789784         0.022079
BFGS:    5 10:32:19      -16.789856         0.000657
BFGS:    6 10:32:19      -16.789856         0.000002
BFGS:    7 10:32:19      -16.789856         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.62214834903593e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pd']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.7082131880249554, -1.0695758591976982e-32, 1.3376479819072578e-33], [-1.4495746336656116e-32, 3.7082131880249554, 7.658802712301967e-18], [-2.0363399420715618e-33, 7.658802712301972e-18, 3.7082131880249554]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.62214835e-11 -1.62214835e-11 -1.62214835e-11  1.70888381e-28
 -7.46981464e-35 -2.89107108e-52]
energy per atom =  -4.197464075175094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0