element(s):
['Pd', 'V']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8451']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.8451, 0, 0], [0, 4.8451, 0], [0, 0, 4.8451]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:22:14      -19.539470       115.551002
BFGS:    1 13:22:15      -35.846101       102.100031
BFGS:    2 13:22:15      -50.241660        90.004098
BFGS:    3 13:22:15      -62.906193        79.043896
BFGS:    4 13:22:15      -74.012694        69.186998
BFGS:    5 13:22:15      -83.710110        60.265443
BFGS:    6 13:22:15      -92.139616        52.264024
BFGS:    7 13:22:15      -99.425863        45.011800
BFGS:    8 13:22:15     -105.679093        38.478561
BFGS:    9 13:22:15     -111.001976        32.596417
BFGS:   10 13:22:15     -115.487494        27.303974
BFGS:   11 13:22:15     -119.219867        22.545688
BFGS:   12 13:22:15     -122.275387        18.271295
BFGS:   13 13:22:15     -124.726869        14.464250
BFGS:   14 13:22:15     -126.633785        11.024273
BFGS:   15 13:22:15     -128.053567         7.973341
BFGS:   16 13:22:16     -129.039109         5.249194
BFGS:   17 13:22:16     -129.638405         2.788270
BFGS:   18 13:22:16     -129.888970         0.595033
BFGS:   19 13:22:16     -129.901889         0.042813
BFGS:   20 13:22:16     -129.901957         0.000731
BFGS:   21 13:22:16     -129.901957         0.000001
BFGS:   22 13:22:16     -129.901957         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.4196964977246915e-30 eV/Angstrom
Maximum stress component: 1.1174857654709748e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'V', 'V', 'V', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 3.56717285e-34 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 4.28060742e-34]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [2.57041431e-34 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.399037352447861, 7.556763228017597e-32, -3.9758032025267327e-32], [6.19711730419344e-32, 5.399037352447861, 4.319374052274271e-18], [-7.00477918619599e-32, 4.319374052274308e-18, 5.399037352447861]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.09848249e-31 -1.77467986e-50 -2.21827578e-32]
 [ 7.09848249e-31 -2.21827578e-32 -1.77467986e-50]
 [ 2.21827578e-32 -1.41969650e-30  4.43655156e-32]
 [ 2.21827578e-32  1.41969650e-30 -8.87310311e-32]
 [ 4.43655156e-32 -4.43655156e-32 -7.09848249e-31]
 [-1.10913789e-32  5.67897554e-49  7.09848249e-31]]
stress =  [-1.11748577e-12 -1.11748577e-12 -1.11748577e-12 -3.73312094e-28
  2.25520758e-33  7.59638710e-49]
energy per atom =  -16.23774467406496
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0