element(s):
['Pd']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9372']
model name:
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.9372, 0, 0], [0, 3.9372, 0], [0, 0, 3.9372]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:36:34      -15.593478         0.615393
BFGS:    1 15:36:34      -15.608366         0.513037
BFGS:    2 15:36:34      -15.639671         0.055247
BFGS:    3 15:36:35      -15.639998         0.004242
BFGS:    4 15:36:35      -15.640000         0.000031
BFGS:    5 15:36:35      -15.640000         0.000000
BFGS:    6 15:36:35      -15.640000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.923670910652947e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.19919133e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.889087291766945, -1.3928560577700462e-33, -3.0176607958646948e-33], [1.1968843464129226e-33, 3.889087291766945, 5.068074854684425e-19], [2.8425758236997978e-33, 5.068074854684385e-19, 3.889087291766945]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.92367091e-15  4.92367091e-15  4.92367091e-15 -1.95300241e-30
  5.73003952e-35 -1.24675947e-50]
energy per atom =  -3.9100000004753337
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0