element(s):
['Si', 'Ti']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4358']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Ti', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.4358, 0, 0], [0, 6.4358, 0], [0, 0, 6.4358]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:38:49     -142.740884        16.315758
BFGS:    1 16:38:49     -145.070180        14.735247
BFGS:    2 16:38:49     -147.167678        13.233817
BFGS:    3 16:38:49     -149.044071        11.798518
BFGS:    4 16:38:49     -150.711252        10.443605
BFGS:    5 16:38:49     -152.183226         9.209328
BFGS:    6 16:38:49     -153.473202         8.002101
BFGS:    7 16:38:49     -154.587290         6.863553
BFGS:    8 16:38:49     -155.536171         5.796833
BFGS:    9 16:38:49     -156.329065         4.785133
BFGS:   10 16:38:49     -156.974643         3.832095
BFGS:   11 16:38:49     -157.481476         2.934714
BFGS:   12 16:38:49     -157.857697         2.090136
BFGS:   13 16:38:49     -158.111022         1.295654
BFGS:   14 16:38:49     -158.248769         0.548697
BFGS:   15 16:38:49     -158.280370         0.028856
BFGS:   16 16:38:49     -158.280460         0.000694
BFGS:   17 16:38:49     -158.280460         0.000001
BFGS:   18 16:38:49     -158.280460         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.0505541967981144e-30 eV/Angstrom
Maximum stress component: 1.5699497148478076e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [8.12986511e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [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]]
cellpar =  Cell([[6.732980257772085, 7.585594980209385e-32, -3.12588315374328e-32], [3.2721976345038887e-32, 6.732980257772085, 2.4256564870560385e-17], [2.885899304066206e-32, 2.4256564870560366e-17, 6.732980257772085]])
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]
 [ 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]
 [-1.99176934e-30  4.70278871e-31  2.75986268e-31]
 [-5.18689932e-32 -6.52684831e-31  7.84950763e-31]
 [-2.05055420e-30  6.77754844e-31 -3.31961556e-31]
 [ 3.73456751e-31 -1.05812746e-30 -4.42615408e-31]
 [ 5.80932724e-31  9.12894280e-31  4.42615408e-31]
 [ 1.40046282e-30 -1.01317433e-30  1.24485584e-30]
 [ 8.71399085e-31 -1.18952891e-30  2.07475973e-32]
 [-4.35699543e-31  7.33081770e-31  8.12614226e-31]]
stress =  [-1.56994971e-12 -1.56994971e-12 -1.56994971e-12  2.20835451e-29
 -1.08759141e-33  2.33858479e-51]
energy per atom =  -9.892528751791728
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0