element(s):
['Pt', 'V']
AFLOW prototype label:
A3B_tI8_139_ad_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8804', '2.0266983']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Pt', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.8804, 0, 0], [0, 3.8804, 0], [0, 0, 7.8644]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:35:11     -196.153061         3.124306
BFGS:    1 15:35:11     -196.263671         0.818782
BFGS:    2 15:35:11     -196.280273         0.501110
BFGS:    3 15:35:11     -196.300090         0.089314
BFGS:    4 15:35:11     -196.300252         0.007732
BFGS:    5 15:35:11     -196.300253         0.000158
BFGS:    6 15:35:11     -196.300253         0.000005
BFGS:    7 15:35:11     -196.300253         0.000000
BFGS:    8 15:35:11     -196.300253         0.000000
Minimization converged after 8 steps.
Maximum force component: 7.275422664259561e-30 eV/Angstrom
Maximum stress component: 1.5260048812244645e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.86110459e-17 2.50000000e-01]
 [2.74252490e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 8.58331377e-17 7.50000000e-01]
 [0.00000000e+00 5.72220918e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8838670038019787, -1.5814068330314174e-36, 3.174142133654279e-32], [-1.6777840998881565e-36, 3.88386700380198, 1.1119930335368315e-17], [3.1000691897395344e-36, -4.218886643570217e-16, 7.766479079800166]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.22276169e-66  1.66405737e-46 -3.06333586e-30]
 [-9.57447138e-32 -2.49608605e-46  4.59500379e-30]
 [-1.91489428e-31  3.32811474e-46 -6.12667172e-30]
 [ 9.57447138e-32  3.95213625e-46 -7.27542266e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.52600488e-11  1.52600488e-11  1.09202571e-11 -1.05462614e-26
  1.13388902e-47 -1.06371451e-62]
energy per atom =  -24.537531601851384
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0