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 21:20:47      -16.548444         1.109254
BFGS:    1 21:20:48      -16.598673         1.002928
BFGS:    2 21:20:48      -16.721822         0.629019
BFGS:    3 21:20:48      -16.784178         0.191069
BFGS:    4 21:20:48      -16.789784         0.022079
BFGS:    5 21:20:48      -16.789856         0.000657
BFGS:    6 21:20:48      -16.789856         0.000002
BFGS:    7 21:20:48      -16.789856         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6220783854716107e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pd']
basis =  [[3.69033673e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.7082131880249563, -1.1141413321375441e-32, -3.9734610121126135e-34], [-1.5601753053388142e-32, 3.7082131880249563, 7.840614540546655e-18], [2.0836620202247763e-33, 7.84061454054665e-18, 3.7082131880249563]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.62207839e-11 -1.62207839e-11 -1.62207839e-11 -1.30666852e-28
  4.66863415e-35  1.01857220e-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