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 17:13:48      -15.593478        0.6154
BFGS:    1 17:13:48      -15.608366        0.5130
BFGS:    2 17:13:48      -15.639671        0.0552
BFGS:    3 17:13:48      -15.639998        0.0042
BFGS:    4 17:13:48      -15.640000        0.0000
BFGS:    5 17:13:48      -15.640000        0.0000
BFGS:    6 17:13:48      -15.640000        0.0000
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]
 [4.39838267e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.23803466e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.889087291766945, -1.7890271489289948e-33, -1.9725899828862054e-33], [-9.16028139797603e-34, 3.889087291766945, 5.068074854684423e-19], [7.520997457046612e-34, 5.068074854684386e-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 -7.11536437e-31
  5.73003952e-35 -1.29031790e-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