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 15:29:15     -108.142444         7.965963
BFGS:    1 15:29:15     -109.074178         5.234162
BFGS:    2 15:29:15     -109.625635         2.803279
BFGS:    3 15:29:15     -109.852489         0.688210
BFGS:    4 15:29:15     -109.866217         0.120311
BFGS:    5 15:29:15     -109.866816         0.151989
BFGS:    6 15:29:15     -109.867766         0.139665
BFGS:    7 15:29:15     -109.868269         0.069793
BFGS:    8 15:29:15     -109.868391         0.015387
BFGS:    9 15:29:15     -109.868399         0.001996
BFGS:   10 15:29:15     -109.868399         0.000122
BFGS:   11 15:29:15     -109.868399         0.000008
BFGS:   12 15:29:15     -109.868399         0.000000
BFGS:   13 15:29:15     -109.868399         0.000000
Minimization converged after 13 steps.
Maximum force component: 7.006845786709466e-31 eV/Angstrom
Maximum stress component: 7.155739014621806e-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]
 [3.46926954e-36 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 6.04807147e-33 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.83393135e-32 7.50000000e-01]
 [6.93131169e-49 1.20961429e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9486192331620136, 3.843990298494832e-36, -2.797258938847786e-32], [-8.231522330256902e-36, 3.9486192331620136, -2.0660279134047673e-18], [2.1798788099098736e-32, -4.158847048125579e-18, 7.909048557949903]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-5.37445029e-64  3.04190561e-32 -1.94973100e-31]
 [-3.04190561e-33 -3.65028673e-32 -3.89946200e-31]
 [-1.93115177e-63 -3.04190561e-32 -7.00684579e-31]
 [ 7.55616802e-64  3.65028673e-32  2.74180922e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-7.15573901e-11 -7.15573901e-11 -1.55450038e-11  3.98848996e-27
  2.53327950e-44  2.40039665e-63]
energy per atom =  -13.733549857501295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0