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 09:03:30      -57.384589       92.8754
BFGS:    1 09:03:30      -70.436432       81.3645
BFGS:    2 09:03:30      -81.846407       70.9500
BFGS:    3 09:03:30      -91.774594       61.6023
BFGS:    4 09:03:30     -100.370502       53.1580
BFGS:    5 09:03:30     -107.766817       45.6108
BFGS:    6 09:03:30     -114.086707       38.7756
BFGS:    7 09:03:30     -119.434089       32.6324
BFGS:    8 09:03:30     -123.907719       27.1151
BFGS:    9 09:03:30     -127.596924       22.1640
BFGS:   10 09:03:30     -130.582509       17.7250
BFGS:   11 09:03:30     -132.937576       13.7493
BFGS:   12 09:03:30     -134.730880       10.2370
BFGS:   13 09:03:30     -136.023499        7.0580
BFGS:   14 09:03:30     -136.865445        4.2223
BFGS:   15 09:03:30     -137.308959        1.7257
BFGS:   16 09:03:30     -137.404830        0.1452
BFGS:   17 09:03:30     -137.405551        0.0064
BFGS:   18 09:03:31     -137.405552        0.0000
BFGS:   19 09:03:31     -137.405552        0.0000
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