element(s):
['O', 'Ti']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4722']
model name:
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.4722, 0, 0], [0, 4.4722, 0], [0, 0, 4.4722]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 23:22:24      -36.328952        11.691129
BFGS:    1 23:22:24      -38.069643        11.492597
BFGS:    2 23:22:25      -39.769430        11.148072
BFGS:    3 23:22:26      -41.413149        10.773320
BFGS:    4 23:22:26      -42.997632        10.338872
BFGS:    5 23:22:27      -44.510533         9.818895
BFGS:    6 23:22:28      -45.939036         9.213664
BFGS:    7 23:22:28      -47.270417         8.524161
BFGS:    8 23:22:29      -48.492176         7.752733
BFGS:    9 23:22:29      -49.592329         6.903297
BFGS:   10 23:22:30      -50.559612         5.982553
BFGS:   11 23:22:30      -51.383850         4.996749
BFGS:   12 23:22:31      -52.055806         3.955715
BFGS:   13 23:22:31      -52.569689         2.915617
BFGS:   14 23:22:32      -52.946860         2.126038
BFGS:   15 23:22:32      -53.211410         1.414627
BFGS:   16 23:22:33      -53.375332         0.784871
BFGS:   17 23:22:33      -53.451187         0.242220
BFGS:   18 23:22:34      -53.460240         0.031506
BFGS:   19 23:22:34      -53.460406         0.001691
BFGS:   20 23:22:35      -53.460407         0.000013
BFGS:   21 23:22:35      -53.460407         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.21350454498991e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', '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 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.29512864e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.43982031e-66 3.86870795e-34 5.00000000e-01]]
cellpar =  Cell([[3.982580171930312, -5.909339149110615e-33, 1.2717836939711658e-32], [-1.4822002362309026e-32, 3.982580171930312, 1.392794366030296e-17], [7.853202760952425e-33, 1.3927943660302952e-17, 3.982580171930313]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.21350454e-10  6.21350454e-10  6.21350454e-10  1.50608773e-25
 -6.47604949e-35 -2.64358209e-51]
energy per atom =  -6.682550843454882
===============================================