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:
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002
==== 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 17:10:43      -40.613975         3.984802
BFGS:    1 17:10:43      -41.224767         4.144710
BFGS:    2 17:10:43      -41.853242         4.221702
BFGS:    3 17:10:43      -42.487472         4.222598
BFGS:    4 17:10:43      -43.116560         4.154267
BFGS:    5 17:10:43      -43.730634         4.023567
BFGS:    6 17:10:43      -44.320852         3.837306
BFGS:    7 17:10:43      -44.880039         3.643015
BFGS:    8 17:10:43      -45.420797         3.562277
BFGS:    9 17:10:43      -45.947376         3.454607
BFGS:   10 17:10:44      -46.456027         3.323962
BFGS:   11 17:10:44      -46.943617         3.173782
BFGS:   12 17:10:44      -47.407179         3.004019
BFGS:   13 17:10:44      -47.843988         2.817555
BFGS:   14 17:10:44      -48.251749         2.617153
BFGS:   15 17:10:44      -48.628441         2.402786
BFGS:   16 17:10:44      -48.971863         2.174219
BFGS:   17 17:10:44      -49.280247         1.936281
BFGS:   18 17:10:44      -49.552410         1.691593
BFGS:   19 17:10:44      -49.787475         1.441901
BFGS:   20 17:10:44      -49.974313         0.953741
BFGS:   21 17:10:44      -50.069255         0.314641
BFGS:   22 17:10:44      -50.081075         0.006272
BFGS:   23 17:10:44      -50.081079         0.000051
BFGS:   24 17:10:44      -50.081079         0.000000
Minimization converged after 24 steps.
Maximum force component: 5.859596009635266e-31 eV/Angstrom
Maximum stress component: 1.078188989515078e-09 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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.19577869e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.448064613028129, -3.0430769436732273e-33, -6.065918399620431e-33], [3.195083217110111e-33, 4.448064613028129, -1.0223219298211082e-17], [5.444611766538914e-33, -1.0223219298211102e-17, 4.448064613028129]])
forces =  [[-2.74133147e-32 -7.76710582e-32 -1.65622109e-31]
 [-2.05599860e-32  5.75679608e-31 -3.80359741e-31]
 [-1.22217695e-31 -5.48266293e-32  2.51288718e-31]
 [ 1.14222144e-31  5.85959601e-31  3.24390890e-31]
 [-1.64479888e-31 -3.74648634e-31  2.69564261e-31]
 [ 2.28444289e-31  1.53057674e-31 -3.65510862e-32]
 [ 1.37066573e-32  1.24502137e-31  9.48043799e-32]
 [-1.41635459e-31 -5.25421864e-31 -1.48488788e-32]
 [ 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 =  [ 1.07818899e-09  1.07818899e-09  1.07818899e-09 -9.04755372e-26
 -3.56919061e-34  5.83377154e-50]
energy per atom =  -4.173423285720521
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0