element(s):
['O', 'Ti']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8858']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Ti']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[4.8858, 0, 0], [0, 4.8858, 0], [0, 0, 4.8858]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:11:47     -115.814270        11.203584
BFGS:    1 16:11:48     -117.357919         9.401925
BFGS:    2 16:11:48     -118.645502         7.773972
BFGS:    3 16:11:48     -119.694599         6.234404
BFGS:    4 16:11:48     -120.521735         4.813096
BFGS:    5 16:11:48     -121.144035         3.501950
BFGS:    6 16:11:48     -121.577450         2.293420
BFGS:    7 16:11:48     -121.836839         1.180471
BFGS:    8 16:11:48     -121.936042         0.156548
BFGS:    9 16:11:48     -121.937919         0.007454
BFGS:   10 16:11:48     -121.937923         0.000050
BFGS:   11 16:11:48     -121.937923         0.000000
BFGS:   12 16:11:48     -121.937923         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.742258070919065e-30 eV/Angstrom
Maximum stress component: 1.875953203770204e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[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]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.06316724e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.051929137224502, 2.440568758820374e-33, 2.5110843709978423e-33], [1.0547777949008705e-32, 5.051929137224502, 1.9597205196198287e-17], [1.912769435374725e-33, 1.95972051961983e-17, 5.051929137224502]])
forces =  [[-1.24539669e-31 -1.32842313e-30  1.12410024e-30]
 [-7.36859705e-31  1.74225807e-30  4.25510534e-31]
 [ 2.54917134e-31 -9.13290902e-31 -1.70204214e-30]
 [-5.60428508e-31  1.19091058e-30  7.05724788e-31]
 [ 7.26481400e-31 -8.51021068e-31  8.30264457e-32]
 [ 4.67023757e-32  2.56863066e-31 -5.18915285e-31]
 [-2.90592560e-31  7.70589199e-31  9.82695822e-31]
 [ 4.96212742e-31 -7.47238011e-31 -8.40642762e-31]
 [ 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 =  [-1.87595320e-15 -1.87595320e-15 -1.87595320e-15 -2.24646676e-31
  2.01230922e-35  4.62919404e-52]
energy per atom =  -10.161493614593303
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0