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 13:57:45     -142.740884       16.3158
BFGS:    1 13:57:45     -145.070180       14.7352
BFGS:    2 13:57:45     -147.167678       13.2338
BFGS:    3 13:57:45     -149.044071       11.7985
BFGS:    4 13:57:45     -150.711252       10.4436
BFGS:    5 13:57:45     -152.183226        9.2093
BFGS:    6 13:57:45     -153.473202        8.0021
BFGS:    7 13:57:45     -154.587290        6.8636
BFGS:    8 13:57:45     -155.536171        5.7968
BFGS:    9 13:57:45     -156.329065        4.7851
BFGS:   10 13:57:45     -156.974643        3.8321
BFGS:   11 13:57:45     -157.481476        2.9347
BFGS:   12 13:57:45     -157.857697        2.0901
BFGS:   13 13:57:45     -158.111022        1.2957
BFGS:   14 13:57:45     -158.248769        0.5487
BFGS:   15 13:57:45     -158.280370        0.0289
BFGS:   16 13:57:45     -158.280460        0.0007
BFGS:   17 13:57:45     -158.280460        0.0000
BFGS:   18 13:57:45     -158.280460        0.0000
Minimization converged after 18 steps.
Maximum force component: 7.721564117116677e-30 eV/Angstrom
Maximum stress component: 1.5716888655983077e-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 2.28835359e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [3.04869942e-49 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([[6.732980257772084, -3.9103223078523474e-32, 4.2878134180644077e-32], [-1.5820238511884473e-32, 6.732980257772084, -2.2336382095749463e-17], [5.765581838251845e-33, -2.233638209574945e-17, 6.732980257772084]])
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]
 [-1.63972839e-62  5.91998109e-30 -2.90466362e-30]
 [ 2.40672128e-30 -7.72156412e-30 -1.24485584e-30]
 [ 4.42615408e-31  5.25605797e-30 -9.40557743e-31]
 [ 1.38317315e-30 -6.68591322e-30  2.76634630e-30]
 [-1.10653852e-30  5.80932724e-30  4.97942334e-31]
 [ 7.01960374e-31 -6.09287773e-30  5.64334646e-30]
 [ 2.21307704e-31 -6.50091381e-30  6.70838978e-31]
 [-1.39354695e-30  5.09007720e-30 -3.82620273e-30]]
stress =  [-1.57168887e-12 -1.57168887e-12 -1.57168887e-12 -4.13695853e-28
 -8.53879894e-61 -2.33004755e-61]
energy per atom =  -9.892528751791732
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0