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 14:44:09      -19.539470      115.5510
BFGS:    1 14:44:09      -35.846101      102.1000
BFGS:    2 14:44:09      -50.241660       90.0041
BFGS:    3 14:44:09      -62.906193       79.0439
BFGS:    4 14:44:09      -74.012694       69.1870
BFGS:    5 14:44:09      -83.710110       60.2654
BFGS:    6 14:44:09      -92.139616       52.2640
BFGS:    7 14:44:09      -99.425863       45.0118
BFGS:    8 14:44:09     -105.679093       38.4786
BFGS:    9 14:44:09     -111.001976       32.5964
BFGS:   10 14:44:09     -115.487494       27.3040
BFGS:   11 14:44:09     -119.219867       22.5457
BFGS:   12 14:44:09     -122.275387       18.2713
BFGS:   13 14:44:09     -124.726869       14.4642
BFGS:   14 14:44:09     -126.633785       11.0243
BFGS:   15 14:44:09     -128.053567        7.9733
BFGS:   16 14:44:09     -129.039109        5.2492
BFGS:   17 14:44:09     -129.638405        2.7883
BFGS:   18 14:44:09     -129.888970        0.5950
BFGS:   19 14:44:09     -129.901889        0.0428
BFGS:   20 14:44:09     -129.901957        0.0007
BFGS:   21 14:44:09     -129.901957        0.0000
BFGS:   22 14:44:09     -129.901957        0.0000
Minimization converged after 22 steps.
Maximum force component: 4.4365515553896616e-32 eV/Angstrom
Maximum stress component: 1.116112505294732e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 1.42686914e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.16089040e-34 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.399037352447862, 1.5972734240322918e-32, 2.7043780907695176e-32], [3.760719438156997e-32, 5.399037352447862, -3.942966578439408e-18], [-1.7931849691173073e-32, -3.942966578439367e-18, 5.399037352447862]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.09029640e-64  4.43655156e-32 -3.24005436e-50]
 [ 3.09029640e-64  4.43655156e-32 -3.24005436e-50]
 [-1.47351408e-64 -3.24005436e-50  4.43655156e-32]
 [-1.47351408e-64 -3.24005436e-50  4.43655156e-32]
 [ 4.43655156e-32  1.31252767e-64  2.22226890e-64]
 [ 4.43655156e-32  1.31252767e-64  2.22226890e-64]]
stress =  [-1.11611251e-12 -1.11611251e-12 -1.11611251e-12 -4.95717550e-29
 -2.25520758e-33 -1.29982304e-49]
energy per atom =  -16.237744674064963
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0