element(s):
['Pd', '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:
['3.8637', '2.016668']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Pd', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.8637, 0, 0], [0, 3.8637, 0], [0, 0, 7.7918]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:34:40     -108.142444         7.965963
BFGS:    1 16:34:40     -109.074178         5.234162
BFGS:    2 16:34:40     -109.625635         2.803279
BFGS:    3 16:34:41     -109.852489         0.688210
BFGS:    4 16:34:41     -109.866217         0.120311
BFGS:    5 16:34:41     -109.866816         0.151989
BFGS:    6 16:34:41     -109.867766         0.139665
BFGS:    7 16:34:42     -109.868269         0.069793
BFGS:    8 16:34:42     -109.868391         0.015387
BFGS:    9 16:34:42     -109.868399         0.001996
BFGS:   10 16:34:43     -109.868399         0.000122
BFGS:   11 16:34:43     -109.868399         0.000008
BFGS:   12 16:34:43     -109.868399         0.000000
BFGS:   13 16:34:43     -109.868399         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.314542702582567e-30 eV/Angstrom
Maximum stress component: 7.155925479602527e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', '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 6.08465254e-33 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.82417639e-32 7.50000000e-01]
 [1.35377181e-51 1.21693051e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.08774219e-36]]
cellpar =  Cell([[3.9486192331620122, 1.1738744422730918e-36, 3.7350764516125604e-32], [-3.760604498428027e-36, 3.948619233162012, -6.989616258610387e-19], [2.170129989915493e-35, -1.4137989505718246e-18, 7.909048557949908]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.94681959e-31 -1.94681959e-31 -3.89946200e-31]
 [-1.94681959e-31  9.73409795e-32 -1.16983860e-30]
 [-1.94681959e-31  1.94681959e-31  9.26122226e-31]
 [ 1.94681959e-31 -9.73409795e-32 -3.31454270e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-7.15592548e-11 -7.15592548e-11 -1.55422092e-11  6.21397409e-27
  2.52553820e-47 -2.39969419e-63]
energy per atom =  -13.733549857501279
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0