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 23:20:12      -40.613975         3.984802
BFGS:    1 23:20:12      -41.224767         4.144710
BFGS:    2 23:20:13      -41.853242         4.221702
BFGS:    3 23:20:13      -42.487472         4.222598
BFGS:    4 23:20:13      -43.116560         4.154267
BFGS:    5 23:20:14      -43.730634         4.023567
BFGS:    6 23:20:14      -44.320852         3.837306
BFGS:    7 23:20:14      -44.880039         3.643015
BFGS:    8 23:20:14      -45.420797         3.562277
BFGS:    9 23:20:15      -45.947376         3.454607
BFGS:   10 23:20:15      -46.456027         3.323962
BFGS:   11 23:20:15      -46.943617         3.173782
BFGS:   12 23:20:16      -47.407179         3.004019
BFGS:   13 23:20:16      -47.843988         2.817555
BFGS:   14 23:20:16      -48.251749         2.617153
BFGS:   15 23:20:16      -48.628441         2.402786
BFGS:   16 23:20:17      -48.971863         2.174219
BFGS:   17 23:20:17      -49.280247         1.936281
BFGS:   18 23:20:17      -49.552410         1.691593
BFGS:   19 23:20:18      -49.787475         1.441901
BFGS:   20 23:20:18      -49.974313         0.953741
BFGS:   21 23:20:18      -50.069255         0.314641
BFGS:   22 23:20:19      -50.081075         0.006272
BFGS:   23 23:20:19      -50.081079         0.000051
BFGS:   24 23:20:19      -50.081079         0.000000
Minimization converged after 24 steps.
Maximum force component: 1.1422214443733461e-31 eV/Angstrom
Maximum stress component: 1.0781863091881302e-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]
 [1.84591140e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.46385246e-34]]
cellpar =  Cell([[4.448064613028128, -4.769715316041439e-33, -1.9503047367800944e-32], [-6.71313634133727e-33, 4.448064613028128, 4.864166656650026e-18], [-2.203755838975452e-32, 4.864166656649997e-18, 4.448064613028128]])
forces =  [[-3.88355291e-32 -2.74133147e-32  9.82310442e-32]
 [-2.68198949e-32  1.03085485e-31 -3.39810880e-32]
 [-7.22455064e-32 -3.65510862e-32 -7.76710582e-32]
 [-6.85332867e-32  7.99555011e-32 -3.99777506e-32]
 [ 4.56888578e-32 -5.71110722e-32  9.59466013e-32]
 [-1.42777681e-32  3.05544236e-32 -1.14222144e-31]
 [ 1.37066573e-32 -5.71110722e-33 -2.85555361e-32]
 [ 4.45466363e-32  3.88355291e-32  1.94177646e-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 =  [1.07818631e-09 1.07818631e-09 1.07818631e-09 2.31778166e-25
 9.86394496e-34 8.82430983e-50]
energy per atom =  -4.173423285720522
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0