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 15:45:12     -180.029927       23.2522
BFGS:    1 15:45:12     -181.989248       22.6034
BFGS:    2 15:45:12     -183.625512       21.9126
BFGS:    3 15:45:12     -185.054765       21.1888
BFGS:    4 15:45:12     -186.339860       20.3719
BFGS:    5 15:45:12     -187.511495       19.4930
BFGS:    6 15:45:12     -188.588953       18.5474
BFGS:    7 15:45:13     -189.583109       17.5306
BFGS:    8 15:45:13     -190.499721       16.4381
BFGS:    9 15:45:13     -191.344209       15.3580
BFGS:   10 15:45:13     -192.113150       14.1164
BFGS:   11 15:45:13     -192.808496       12.7777
BFGS:   12 15:45:13     -193.426951       11.3797
BFGS:   13 15:45:13     -193.968013        9.9049
BFGS:   14 15:45:13     -194.424285        8.2947
BFGS:   15 15:45:13     -194.794019        6.5900
BFGS:   16 15:45:13     -195.073924        4.7931
BFGS:   17 15:45:13     -195.262122        2.9545
BFGS:   18 15:45:13     -195.357638        1.0137
BFGS:   19 15:45:13     -195.371272        0.2312
BFGS:   20 15:45:13     -195.371788        0.1680
BFGS:   21 15:45:13     -195.372450        0.0012
BFGS:   22 15:45:13     -195.372450        0.0000
BFGS:   23 15:45:13     -195.372450        0.0000
BFGS:   24 15:45:13     -195.372450        0.0000
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