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_KoLee_2013_VPdY__MO_046547823135_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 17:13:47      -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: 5.697156957960019e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.8890872620942627, 6.807933767347777e-35, 1.0055802673566059e-34], [-7.660901383857701e-33, 3.8890872620942627, -5.094041378369879e-20], [-4.185605341172456e-33, -5.094041378369502e-20, 3.8890872620942627]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.69715696e-15  5.69715696e-15  5.69715696e-15 -7.25890468e-32
 -1.69778951e-35  2.41626658e-52]
energy per atom =  -3.910000001255541
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0