element(s):
['Al', 'Nb']
AFLOW prototype label:
A3B_tI8_139_ad_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8598', '2.2368776']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Nb']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.8598, 0, 0], [0, 3.8598, 0], [0, 0, 8.6339]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:25:06     -180.029927        23.252206
BFGS:    1 16:25:06     -181.989248        22.603354
BFGS:    2 16:25:06     -183.625512        21.912649
BFGS:    3 16:25:07     -185.054765        21.188841
BFGS:    4 16:25:07     -186.339860        20.371860
BFGS:    5 16:25:07     -187.511495        19.492963
BFGS:    6 16:25:07     -188.588953        18.547426
BFGS:    7 16:25:07     -189.583109        17.530624
BFGS:    8 16:25:08     -190.499721        16.438064
BFGS:    9 16:25:08     -191.344209        15.358036
BFGS:   10 16:25:08     -192.113150        14.116376
BFGS:   11 16:25:08     -192.808496        12.777716
BFGS:   12 16:25:09     -193.426951        11.379746
BFGS:   13 16:25:09     -193.968013         9.904927
BFGS:   14 16:25:09     -194.424285         8.294732
BFGS:   15 16:25:10     -194.794019         6.589959
BFGS:   16 16:25:10     -195.073924         4.793074
BFGS:   17 16:25:10     -195.262122         2.954491
BFGS:   18 16:25:10     -195.357638         1.013676
BFGS:   19 16:25:11     -195.371272         0.231222
BFGS:   20 16:25:11     -195.371788         0.167962
BFGS:   21 16:25:11     -195.372450         0.001180
BFGS:   22 16:25:11     -195.372450         0.000039
BFGS:   23 16:25:12     -195.372450         0.000000
BFGS:   24 16:25:12     -195.372450         0.000000
Minimization converged after 24 steps.
Maximum force component: 9.025022179146772e-30 eV/Angstrom
Maximum stress component: 2.5250123117950533e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [4.26010121e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.87637449e-17 2.50000000e-01]
 [7.70371978e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 8.62912346e-17 7.50000000e-01]
 [3.58763593e-49 5.75274897e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.21206284e-33]]
cellpar =  Cell([[3.8133340425688536, 7.852015543218933e-36, 2.4659620324282475e-32], [6.433631313826638e-36, 3.8133340425688536, 3.794270195680736e-17], [-1.3861160697583805e-32, -3.601084458438174e-16, 7.627049854978992]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.64011573e-62 -3.76023768e-31 -9.02502218e-30]
 [ 5.46662948e-63 -3.76023768e-31 -3.00834073e-30]
 [-1.30695433e-62  3.76023768e-31  7.19181455e-30]
 [-3.76023768e-31 -2.66320757e-46  5.64063886e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.52501231e-10  2.52501231e-10  1.54536513e-10 -2.48936008e-26
 -1.35615398e-32 -1.50563337e-48]
energy per atom =  -24.42155626096492
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0