element(s):
['Pd', 'V']
AFLOW prototype label:
A2B_oI6_71_e_a
Parameter names:
['a', 'b/a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.3902', '0.44779624', '0.32921742', '0.66195476']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'V']
representative atom coordinates =  [[0.66195476 0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  71
cell =  [[8.3902, 0, 0], [0, 2.7622, 0], [0, 0, 3.7571]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:14      -80.652432        23.239365
BFGS:    1 15:16:14      -84.057707        16.552214
BFGS:    2 15:16:14      -85.427985        12.239309
BFGS:    3 15:16:14      -86.460495         8.525875
BFGS:    4 15:16:14      -87.113481         5.422999
BFGS:    5 15:16:14      -87.493509         2.826509
BFGS:    6 15:16:14      -87.665888         0.766383
BFGS:    7 15:16:14      -87.707484         1.221644
BFGS:    8 15:16:14      -87.735778         1.385174
BFGS:    9 15:16:14      -87.774962         1.289062
BFGS:   10 15:16:14      -87.808723         1.053431
BFGS:   11 15:16:14      -87.835136         0.667257
BFGS:   12 15:16:14      -87.850475         0.247783
BFGS:   13 15:16:14      -87.852125         0.077763
BFGS:   14 15:16:14      -87.852249         0.042754
BFGS:   15 15:16:14      -87.852365         0.021606
BFGS:   16 15:16:14      -87.852383         0.007518
BFGS:   17 15:16:14      -87.852385         0.001301
BFGS:   18 15:16:14      -87.852385         0.000226
BFGS:   19 15:16:14      -87.852385         0.000074
BFGS:   20 15:16:14      -87.852385         0.000012
BFGS:   21 15:16:14      -87.852385         0.000002
BFGS:   22 15:16:14      -87.852385         0.000000
BFGS:   23 15:16:14      -87.852385         0.000000
BFGS:   24 15:16:14      -87.852385         0.000000
Minimization converged after 24 steps.
Maximum force component: 3.751931000909801e-09 eV/Angstrom
Maximum stress component: 1.5076717447649067e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'V', 'V']
basis =  [[6.76664527e-01 0.00000000e+00 7.52316385e-37]
 [3.23335473e-01 9.76838101e-36 0.00000000e+00]
 [1.76664527e-01 5.00000000e-01 5.00000000e-01]
 [8.23335473e-01 5.00000000e-01 5.00000000e-01]
 [1.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.84677365239539, 0.0, 0.0], [0.0, 2.9514771455760953, 1.3232028263335905e-36], [0.0, -1.0172746017513564e-35, 3.6297449117361698]])
forces =  [[-3.75193100e-09  0.00000000e+00  0.00000000e+00]
 [ 3.75193100e-09 -7.27595291e-32 -3.26194681e-68]
 [-3.75193100e-09  0.00000000e+00  0.00000000e+00]
 [ 3.75193100e-09 -1.45519058e-31 -6.52389362e-68]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.50767174e-10 -8.97816186e-11 -1.02247736e-10  4.60219399e-33
  0.00000000e+00  0.00000000e+00]
energy per atom =  -14.642064136599046
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0