element(s):
['Ni', '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:
['4.7127']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.7127, 0, 0], [0, 4.7127, 0], [0, 0, 4.7127]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:03:30       44.970690      165.4603
BFGS:    1 09:03:30       21.521183      147.4994
BFGS:    2 09:03:30        0.628265      131.3349
BFGS:    3 09:03:30      -17.950718      116.6304
BFGS:    4 09:03:30      -34.430973      103.3287
BFGS:    5 09:03:30      -49.012844       91.2977
BFGS:    6 09:03:30      -61.880839       80.4639
BFGS:    7 09:03:30      -73.200161       70.6259
BFGS:    8 09:03:30      -83.117365       61.7642
BFGS:    9 09:03:30      -91.769121       53.7287
BFGS:   10 09:03:30      -99.274856       46.4712
BFGS:   11 09:03:30     -105.745761       39.9195
BFGS:   12 09:03:30     -111.284819       34.0466
BFGS:   13 09:03:30     -115.985001       28.7147
BFGS:   14 09:03:30     -119.925997       23.9136
BFGS:   15 09:03:30     -123.182875       19.5874
BFGS:   16 09:03:30     -125.823920       15.6955
BFGS:   17 09:03:30     -127.911239       12.2271
BFGS:   18 09:03:30     -129.505480        9.0863
BFGS:   19 09:03:30     -130.653363        6.2704
BFGS:   20 09:03:30     -131.403121        3.7777
BFGS:   21 09:03:30     -131.797613        1.5340
BFGS:   22 09:03:30     -131.882191        0.1336
BFGS:   23 09:03:30     -131.882872        0.0057
BFGS:   24 09:03:30     -131.882874        0.0000
BFGS:   25 09:03:30     -131.882874        0.0000
Minimization converged after 25 steps.
Maximum force component: 3.519231987434807e-31 eV/Angstrom
Maximum stress component: 2.2084746072105112e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', '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 1.43903636e-33 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.07927727e-33]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [7.70371978e-34 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.353387849456942, 4.5945492971037053e-32, -7.567760230670818e-33], [8.830274168426213e-33, 5.353387849456942, -1.3623549123287767e-17], [1.337929284323171e-32, -1.3623549123287707e-17, 5.353387849456942]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.51923199e-31 -2.19951999e-32  5.59744026e-50]
 [ 3.51923199e-31 -2.19951999e-32 -2.19951999e-32]
 [ 2.19951999e-32  1.75961599e-31 -2.19951999e-32]
 [-4.39903998e-32 -1.75961599e-31 -1.09976000e-32]
 [ 2.19951999e-32 -4.47795221e-49  1.75961599e-31]
 [-4.76047222e-64 -2.19951999e-32 -1.75961599e-31]]
stress =  [-2.20847461e-10 -2.20847461e-10 -2.20847461e-10  9.76790285e-27
  1.14691643e-33 -2.01552147e-50]
energy per atom =  -16.485359205414913
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0