element(s):
['Pd', 'Ti']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1682']
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.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.1682, 0, 0], [0, 5.1682, 0], [0, 0, 5.1682]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:22:21      -40.661117         0.693509
BFGS:    1 13:22:21      -40.681069         0.648988
BFGS:    2 13:22:21      -40.761052         0.414779
BFGS:    3 13:22:21      -40.804678         0.164071
BFGS:    4 13:22:21      -40.812334         0.009348
BFGS:    5 13:22:21      -40.812358         0.000194
BFGS:    6 13:22:21      -40.812358         0.000000
BFGS:    7 13:22:21      -40.812358         0.000000
Minimization converged after 7 steps.
Maximum force component: 2.0860335870244014e-32 eV/Angstrom
Maximum stress component: 3.158814201972439e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [1.32243114e-38 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.077174519080439, 2.1040928636235546e-32, -2.3931625452526646e-32], [-8.731249187316114e-33, 5.077174519080439, -4.079595767465791e-18], [-1.1166193450926075e-32, -4.079595767465818e-18, 5.077174519080439]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.08603359e-32 -1.30377099e-33  1.04760209e-51]
 [-2.08603359e-32 -1.22228530e-34  1.30377099e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.30377099e-33 -1.67616334e-50  2.08603359e-32]
 [ 6.51885496e-34  1.30377099e-33 -2.08603359e-32]]
stress =  [-3.15881420e-13 -3.15881420e-13 -3.15881420e-13 -1.19556851e-28
  2.73947747e-35  5.35431080e-51]
energy per atom =  -5.101544738118347
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0