element(s):
['Pt', '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:
['3.9213']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'V']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9213, 0, 0], [0, 3.9213, 0], [0, 0, 3.9213]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:13      -97.830757        5.2764
BFGS:    1 15:45:13      -98.111341        1.8535
BFGS:    2 15:45:13      -98.143379        0.1869
BFGS:    3 15:45:13      -98.143724        0.0058
BFGS:    4 15:45:13      -98.143724        0.0000
BFGS:    5 15:45:13      -98.143724        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.278397500652722e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'V']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.8838215822376827, -1.798400942313984e-32, 3.0771008097013354e-32], [-4.548868106564566e-32, 3.8838215822376827, -1.6541868900027226e-20], [-1.5473308402592718e-32, -1.654186889999919e-20, 3.8838215822376827]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.27839750e-10  1.27839750e-10  1.27839750e-10 -1.04053849e-28
 -6.80958542e-34  2.86933501e-50]
energy per atom =  -24.535930962353106
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0