element(s):
['Pd', 'Y']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1144']
model name:
MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Y']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.1144, 0, 0], [0, 4.1144, 0], [0, 0, 4.1144]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 03:15:47      -19.539985        0.0104
BFGS:    1 03:15:47      -19.539990        0.0087
BFGS:    2 03:15:47      -19.540000        0.0000
BFGS:    3 03:15:47      -19.540000        0.0000
BFGS:    4 03:15:47      -19.540000        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.58395273711095e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Y']
basis =  [[0.000000e+00 5.000000e-01 5.000000e-01]
 [5.000000e-01 1.142543e-38 5.000000e-01]
 [5.000000e-01 5.000000e-01 1.142543e-38]
 [0.000000e+00 0.000000e+00 0.000000e+00]]
cellpar =  Cell([[4.115361451231635, 1.597389067823177e-32, -3.594157242567826e-32], [-1.5973878397237272e-32, 4.115361451231635, -7.442112313707842e-22], [3.072159220710797e-33, -7.442112314067259e-22, 4.115361451231635]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.58395274e-16 -6.58395274e-16 -6.58395274e-16  4.38822076e-31
  2.42595776e-34 -8.08006574e-50]
energy per atom =  -4.885000000068288
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0