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 15:36:34      -15.593478         0.615393
BFGS:    1 15:36:34      -15.608366         0.513038
BFGS:    2 15:36:34      -15.639671         0.055249
BFGS:    3 15:36:34      -15.639998         0.004243
BFGS:    4 15:36:34      -15.640000         0.000031
BFGS:    5 15:36:34      -15.640000         0.000000
BFGS:    6 15:36:34      -15.640000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.697156957960016e-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, -1.0892093857949203e-32, 1.7373877508656347e-33], [-2.5356376588074145e-32, 3.8890872620942627, -5.092390836956768e-20], [9.892397558981732e-35, -5.092390836956615e-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 2.86760449e-32
 1.69778951e-35 9.09051258e-53]
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