element(s):
['Al', '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:
['4.8568']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.8568, 0, 0], [0, 4.8568, 0], [0, 0, 4.8568]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:17:38      -57.384589        92.875378
BFGS:    1 12:17:38      -70.436432        81.364467
BFGS:    2 12:17:39      -81.846407        70.949982
BFGS:    3 12:17:39      -91.774594        61.602329
BFGS:    4 12:17:40     -100.370502        53.158003
BFGS:    5 12:17:40     -107.766817        45.610793
BFGS:    6 12:17:40     -114.086707        38.775613
BFGS:    7 12:17:41     -119.434089        32.632427
BFGS:    8 12:17:41     -123.907719        27.115123
BFGS:    9 12:17:41     -127.596924        22.163968
BFGS:   10 12:17:42     -130.582509        17.724976
BFGS:   11 12:17:42     -132.937576        13.749331
BFGS:   12 12:17:43     -134.730880        10.236981
BFGS:   13 12:17:43     -136.023499         7.058038
BFGS:   14 12:17:43     -136.865445         4.222278
BFGS:   15 12:17:44     -137.308959         1.725703
BFGS:   16 12:17:44     -137.404830         0.145165
BFGS:   17 12:17:44     -137.405551         0.006406
BFGS:   18 12:17:45     -137.405552         0.000025
BFGS:   19 12:17:45     -137.405552         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.507225411387339e-31 eV/Angstrom
Maximum stress component: 2.581242076400518e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'V', 'V', 'V', 'V', 'V', 'V']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [2.5000000e-01 0.0000000e+00 5.0000000e-01]
 [7.5000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 2.5000000e-01 0.0000000e+00]
 [5.0000000e-01 7.5000000e-01 0.0000000e+00]
 [1.0265984e-35 5.0000000e-01 2.5000000e-01]
 [0.0000000e+00 5.0000000e-01 7.5000000e-01]]
cellpar =  Cell([[5.335123677457031, 3.5118690758035344e-32, 3.4587021120784913e-32], [3.0663629146403372e-33, 5.335123677457031, 3.2256529315465544e-17], [-1.9705755011590923e-32, 3.2256529315465594e-17, 5.335123677457031]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.50722541e-31 -4.38403176e-32 -2.65061614e-49]
 [ 3.50722541e-31 -4.38403176e-32  4.38403176e-32]
 [ 1.61928122e-64 -2.65061614e-49 -4.38403176e-32]
 [ 2.19201588e-32 -1.32530807e-49 -2.19201588e-32]
 [-4.38403176e-32 -2.12049291e-48 -3.50722541e-31]
 [-4.38403176e-32  4.38403176e-32  3.50722541e-31]]
stress =  [-2.58124208e-10 -2.58124208e-10 -2.58124208e-10  7.99993234e-27
 -4.14999975e-33  3.13526919e-49]
energy per atom =  -17.175694018227027
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0