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 03:20:31      -18.710557        0.3166
BFGS:    1 03:20:31      -18.714490        0.2629
BFGS:    2 03:20:31      -18.722927        0.0119
BFGS:    3 03:20:31      -18.722943        0.0004
BFGS:    4 03:20:31      -18.722943        0.0000
BFGS:    5 03:20:31      -18.722943        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.292597349489469e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Ti']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.907121335553328, 3.270312944957638e-33, -9.927793123654818e-34], [-9.382226021039336e-33, 3.907121335553328, -5.703339000746242e-20], [-2.170187105178234e-32, -5.703339000744296e-20, 3.907121335553328]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.29259735e-12 -2.29259735e-12 -2.29259735e-12 -4.13938591e-29
  4.20538183e-36  6.45862218e-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