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 15:27:50     -180.029927        23.252206
BFGS:    1 15:27:50     -181.989248        22.603354
BFGS:    2 15:27:50     -183.625512        21.912649
BFGS:    3 15:27:50     -185.054765        21.188841
BFGS:    4 15:27:50     -186.339860        20.371860
BFGS:    5 15:27:50     -187.511495        19.492963
BFGS:    6 15:27:50     -188.588953        18.547426
BFGS:    7 15:27:50     -189.583109        17.530624
BFGS:    8 15:27:50     -190.499721        16.438064
BFGS:    9 15:27:50     -191.344209        15.358036
BFGS:   10 15:27:50     -192.113150        14.116376
BFGS:   11 15:27:50     -192.808496        12.777716
BFGS:   12 15:27:50     -193.426951        11.379746
BFGS:   13 15:27:50     -193.968013         9.904927
BFGS:   14 15:27:50     -194.424285         8.294732
BFGS:   15 15:27:50     -194.794019         6.589959
BFGS:   16 15:27:50     -195.073924         4.793074
BFGS:   17 15:27:50     -195.262122         2.954491
BFGS:   18 15:27:50     -195.357638         1.013676
BFGS:   19 15:27:50     -195.371272         0.231222
BFGS:   20 15:27:50     -195.371788         0.167962
BFGS:   21 15:27:50     -195.372450         0.001180
BFGS:   22 15:27:50     -195.372450         0.000039
BFGS:   23 15:27:50     -195.372450         0.000000
BFGS:   24 15:27:50     -195.372450         0.000000
Minimization converged after 24 steps.
Maximum force component: 4.512511089573382e-30 eV/Angstrom
Maximum stress component: 2.524885208061427e-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]
 [1.89381143e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.87637449e-17 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 8.62912346e-17 7.50000000e-01]
 [6.45973542e-48 5.75274897e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.61608379e-33]]
cellpar =  Cell([[3.813334042568853, -1.246919980600414e-35, 5.257773129507665e-32], [-1.6155763705613392e-35, 3.8133340425688527, 4.428305098966213e-17], [-2.9481415633107696e-32, -3.3412728723226023e-16, 7.627049854978986]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.12807130e-30 -3.76023768e-31  3.00834073e-30]
 [-3.76023768e-31  3.76023768e-31  4.51251109e-30]
 [-5.64035652e-31 -3.76023768e-31  1.50417036e-30]
 [-3.76023768e-31 -7.52047536e-31  2.16224490e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.52488521e-10  2.52488521e-10  1.54518831e-10 -7.17651063e-26
  3.39038494e-33 -1.88215477e-48]
energy per atom =  -24.421556260964916
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0