element(s):
['Pd', 'V']
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:
['3.9179']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'V']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9179, 0, 0], [0, 3.9179, 0], [0, 0, 3.9179]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:10:42      -54.835028         3.007566
BFGS:    1 15:10:42      -54.970260         0.769874
BFGS:    2 15:10:43      -54.981317         0.066597
BFGS:    3 15:10:43      -54.981398         0.001682
BFGS:    4 15:10:43      -54.981398         0.000004
BFGS:    5 15:10:43      -54.981398         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2298385337784139e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'V']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.61720936e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.950614191850156, -9.485307313882036e-33, 1.368653688526748e-33], [-9.051239792302947e-33, 3.950614191850156, 5.383693786624459e-20], [-2.4143225170603358e-33, 5.3836937866246235e-20, 3.950614191850156]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.22983853e-11  1.22983853e-11  1.22983853e-11 -2.81380837e-28
 -1.57950577e-33  3.53442215e-50]
energy per atom =  -13.745349552781251
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0