element(s):
['Pd', 'Ti']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2022']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2022, 0, 0], [0, 3.2022, 0], [0, 0, 3.2022]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:36:51      -10.209346         0.727506
BFGS:    1 12:36:51      -10.228787         0.517460
BFGS:    2 12:36:51      -10.246994         0.057519
BFGS:    3 12:36:51      -10.247199         0.003870
BFGS:    4 12:36:51      -10.247200         0.000026
BFGS:    5 12:36:51      -10.247200         0.000000
BFGS:    6 12:36:51      -10.247200         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7819196971865585e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1484064814851043, 1.8268425339408123e-32, 9.814216484383711e-33], [1.5660961374358692e-32, 3.1484064814851043, -5.599990818754893e-20], [1.0277213931495339e-32, -5.599990818754628e-20, 3.1484064814851043]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.78191970e-15  2.78191970e-15  2.78191970e-15 -1.48876845e-31
  1.44060517e-63 -2.65186544e-63]
energy per atom =  -5.123600000062033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0