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 16:48:57      -57.384589        92.875378
BFGS:    1 16:48:57      -70.436432        81.364467
BFGS:    2 16:48:57      -81.846407        70.949982
BFGS:    3 16:48:57      -91.774594        61.602329
BFGS:    4 16:48:57     -100.370502        53.158003
BFGS:    5 16:48:57     -107.766817        45.610793
BFGS:    6 16:48:57     -114.086707        38.775613
BFGS:    7 16:48:57     -119.434089        32.632427
BFGS:    8 16:48:57     -123.907719        27.115123
BFGS:    9 16:48:57     -127.596924        22.163968
BFGS:   10 16:48:57     -130.582509        17.724976
BFGS:   11 16:48:57     -132.937576        13.749331
BFGS:   12 16:48:57     -134.730880        10.236981
BFGS:   13 16:48:57     -136.023499         7.058038
BFGS:   14 16:48:57     -136.865445         4.222278
BFGS:   15 16:48:57     -137.308959         1.725703
BFGS:   16 16:48:57     -137.404830         0.145165
BFGS:   17 16:48:57     -137.405551         0.006406
BFGS:   18 16:48:57     -137.405552         0.000025
BFGS:   19 16:48:57     -137.405552         0.000000
Minimization converged after 19 steps.
Maximum force component: 7.014450822774679e-31 eV/Angstrom
Maximum stress component: 2.581211194738564e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', '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 7.21981368e-35]
 [5.00000000e-01 7.50000000e-01 3.60990684e-34]
 [1.60494200e-35 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.335123677457032, -3.474433304357051e-32, 5.205287711922772e-34], [-1.3950222739012252e-32, 5.335123677457032, 2.4819460236666674e-18], [-4.4668313831324714e-34, 2.481946023666678e-18, 5.335123677457032]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.01445082e-31  4.56807434e-63 -6.84374663e-65]
 [ 7.01445082e-31 -4.56807434e-63  6.84374663e-65]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.93642387e-65  1.63159182e-49  3.50722541e-31]
 [ 2.93642387e-65 -1.63159182e-49 -3.50722541e-31]]
stress =  [-2.58121119e-10 -2.58121119e-10 -2.58121119e-10 -6.10260965e-29
  2.52608681e-33  1.85502390e-51]
energy per atom =  -17.175694018227023
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0