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 16:32:16     -196.153061         3.124306
BFGS:    1 16:32:16     -196.263671         0.818782
BFGS:    2 16:32:16     -196.280273         0.501110
BFGS:    3 16:32:16     -196.300090         0.089314
BFGS:    4 16:32:17     -196.300252         0.007732
BFGS:    5 16:32:17     -196.300253         0.000158
BFGS:    6 16:32:17     -196.300253         0.000005
BFGS:    7 16:32:17     -196.300253         0.000000
BFGS:    8 16:32:18     -196.300253         0.000000
Minimization converged after 8 steps.
Maximum force component: 5.8843570643908535e-30 eV/Angstrom
Maximum stress component: 1.526380645989683e-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]
 [2.15053443e-53 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.86110459e-17 2.50000000e-01]
 [2.15053443e-53 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 8.58331377e-17 7.50000000e-01]
 [2.38757284e-69 5.72220918e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.91919208e-35]]
cellpar =  Cell([[3.8838670038019796, -3.801169821932876e-36, -3.4915003074928346e-32], [-8.199833313986371e-37, 3.8838670038019805, 1.1086682235512529e-17], [-8.965492176952183e-58, -4.2195518138531734e-16, 7.766479079800165]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.65957710e-31 -3.82978855e-31  3.06333586e-30]
 [ 1.91489428e-31  7.65957710e-31 -3.82916982e-30]
 [ 7.65957710e-31  7.65957710e-31  5.88435706e-30]
 [ 1.91489428e-31 -3.82978855e-31 -1.12481864e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.52638065e-11  1.52638065e-11  1.09218947e-11  7.75568084e-27
 -1.96143161e-32 -1.08853182e-47]
energy per atom =  -24.53753160185137
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0