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 16:35:19     -115.814270        11.203584
BFGS:    1 16:35:20     -117.357919         9.401925
BFGS:    2 16:35:21     -118.645502         7.773972
BFGS:    3 16:35:23     -119.694599         6.234404
BFGS:    4 16:35:24     -120.521735         4.813096
BFGS:    5 16:35:25     -121.144035         3.501950
BFGS:    6 16:35:26     -121.577450         2.293420
BFGS:    7 16:35:27     -121.836839         1.180471
BFGS:    8 16:35:28     -121.936042         0.156548
BFGS:    9 16:35:29     -121.937919         0.007454
BFGS:   10 16:35:30     -121.937923         0.000050
BFGS:   11 16:35:31     -121.937923         0.000000
BFGS:   12 16:35:32     -121.937923         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.5323065930260707e-30 eV/Angstrom
Maximum stress component: 1.0568318487534695e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]
 [2.5000000e-01 2.5000000e-01 7.5000000e-01]
 [7.5000000e-01 7.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 2.5000000e-01]
 [0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 7.6245327e-35]]
cellpar =  Cell([[5.0519291372245005, -2.7877035575664188e-33, 9.442396780036849e-33], [-2.6453485966130393e-32, 5.0519291372245005, -6.2642034991749485e-18], [3.593342255137088e-32, -6.264203499174971e-18, 5.0519291372245005]])
forces =  [[-6.84968177e-31  1.72279875e-30  3.32105783e-31]
 [-9.04858529e-31 -2.19144411e-30  1.42620623e-30]
 [-5.44861050e-31  1.43220619e-30 -2.69835948e-31]
 [-7.88751234e-31 -2.22614657e-30 -8.30264457e-32]
 [ 9.96317348e-31  1.26615330e-30 -2.28322726e-30]
 [ 3.33078749e-31 -2.18852522e-30  1.24539669e-31]
 [-2.90592560e-31 -1.61382654e-30  2.53230659e-30]
 [ 4.81293927e-31  1.18312685e-30 -2.01274266e-30]
 [ 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 =  [-1.05683185e-14 -1.05683185e-14 -1.05683185e-14  4.89702487e-30
  1.60984738e-34 -4.07562456e-50]
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