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 18:55:54      -80.652432       23.2394
BFGS:    1 18:55:54      -84.057707       16.5522
BFGS:    2 18:55:54      -85.427985       12.2393
BFGS:    3 18:55:54      -86.460495        8.5259
BFGS:    4 18:55:54      -87.113481        5.4230
BFGS:    5 18:55:54      -87.493509        2.8265
BFGS:    6 18:55:54      -87.665888        0.7664
BFGS:    7 18:55:54      -87.707484        1.2216
BFGS:    8 18:55:54      -87.735778        1.3852
BFGS:    9 18:55:54      -87.774962        1.2891
BFGS:   10 18:55:54      -87.808723        1.0534
BFGS:   11 18:55:54      -87.835136        0.6673
BFGS:   12 18:55:54      -87.850475        0.2478
BFGS:   13 18:55:54      -87.852125        0.0778
BFGS:   14 18:55:54      -87.852249        0.0428
BFGS:   15 18:55:54      -87.852365        0.0216
BFGS:   16 18:55:54      -87.852383        0.0075
BFGS:   17 18:55:54      -87.852385        0.0013
BFGS:   18 18:55:54      -87.852385        0.0002
BFGS:   19 18:55:54      -87.852385        0.0001
BFGS:   20 18:55:55      -87.852385        0.0000
BFGS:   21 18:55:55      -87.852385        0.0000
BFGS:   22 18:55:55      -87.852385        0.0000
BFGS:   23 18:55:55      -87.852385        0.0000
BFGS:   24 18:55:55      -87.852385        0.0000
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 9.77122791e-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, 1.1527307157654343e-36], [0.0, -8.867635403103361e-36, 3.6297449117361698]])
forces =  [[-3.75193100e-09  0.00000000e+00  0.00000000e+00]
 [ 3.75193100e-09 -7.27595291e-32 -2.84170061e-68]
 [-3.75193100e-09  0.00000000e+00  0.00000000e+00]
 [ 3.75193100e-09 -1.45519058e-31 -5.68340122e-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  1.58456578e-46
  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