element(s):
['Pd', 'Ti']
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:
['3.9324']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9324, 0, 0], [0, 3.9324, 0], [0, 0, 3.9324]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:37:08      -18.710557         0.316643
BFGS:    1 09:37:08      -18.714490         0.262881
BFGS:    2 09:37:08      -18.722927         0.011949
BFGS:    3 09:37:08      -18.722943         0.000422
BFGS:    4 09:37:08      -18.722943         0.000001
BFGS:    5 09:37:08      -18.722943         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2926829738549478e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Ti']
basis =  [[3.50246489e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.31060053e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.08080070e-36]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.907121335553328, -1.3489628610064235e-32, -5.7971041620857023e-33], [-1.3654658202603104e-32, 3.907121335553328, -5.1756310810712375e-20], [8.426110261483408e-33, -5.1756310810717743e-20, 3.907121335553328]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.29268297e-12 -2.29268297e-12 -2.29268297e-12 -3.57472226e-29
  3.36430546e-35 -3.20472094e-52]
energy per atom =  -4.6807358739119165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0