element(s):
['Al', 'Ni', 'Ti']
AFLOW prototype label:
AB2C_cF16_225_a_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8906']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8906, 0, 0], [0, 5.8906, 0], [0, 0, 5.8906]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:09:24     -208.792775        5.9813
BFGS:    1 14:09:24     -209.597295        4.7523
BFGS:    2 14:09:24     -210.216457        3.5160
BFGS:    3 14:09:24     -210.655851        2.3548
BFGS:    4 14:09:24     -210.926438        1.2646
BFGS:    5 14:09:24     -211.038599        0.2418
BFGS:    6 14:09:24     -211.043043        0.0095
BFGS:    7 14:09:25     -211.043050        0.0001
BFGS:    8 14:09:25     -211.043050        0.0000
BFGS:    9 14:09:25     -211.043050        0.0000
Minimization converged after 9 steps.
Maximum force component: 1.8191103651228355e-29 eV/Angstrom
Maximum stress component: 3.3845247565227717e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.59995241e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.57340895e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.14681790e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.71411574e-50 1.71423472e-49]
 [1.14282315e-48 5.00000000e-01 5.14681790e-34]
 [2.28564630e-49 7.72022686e-34 5.00000000e-01]]
cellpar =  Cell([[5.987171040920032, -4.096919347862036e-33, -3.79724347908201e-33], [1.583198449969293e-32, 5.987171040920032, 1.794209647479184e-17], [1.9111598846159872e-32, 1.794209647479182e-17, 5.987171040920032]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.51021936e-30  1.57434839e-29  6.10213746e-30]
 [ 6.55568509e-30 -1.56819859e-29 -1.19552081e-29]
 [ 6.21744618e-30  1.59402774e-29  1.57434839e-29]
 [ 4.52625162e-30 -1.61924192e-29  5.51021936e-30]
 [ 3.14869678e-30  1.59402774e-29  9.05250324e-30]
 [ 5.16583065e-30 -1.81911037e-29 -2.95190323e-30]
 [ 6.69098065e-30 -1.65798565e-29 -3.55458347e-30]
 [ 3.07489920e-30  1.59402774e-29 -1.58541803e-29]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-3.38452476e-15 -3.38452476e-15 -3.38452476e-15  1.25486012e-30
 -4.58475218e-34  9.52972772e-50]
energy per atom =  -13.190190627180385
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0