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 11:12:18      -36.328952        11.691129
BFGS:    1 11:12:18      -38.069643        11.492597
BFGS:    2 11:12:18      -39.769430        11.148072
BFGS:    3 11:12:18      -41.413149        10.773320
BFGS:    4 11:12:18      -42.997632        10.338872
BFGS:    5 11:12:18      -44.510533         9.818895
BFGS:    6 11:12:18      -45.939036         9.213664
BFGS:    7 11:12:18      -47.270417         8.524161
BFGS:    8 11:12:18      -48.492176         7.752733
BFGS:    9 11:12:18      -49.592329         6.903297
BFGS:   10 11:12:18      -50.559612         5.982553
BFGS:   11 11:12:18      -51.383850         4.996749
BFGS:   12 11:12:18      -52.055806         3.955715
BFGS:   13 11:12:19      -52.569689         2.915617
BFGS:   14 11:12:19      -52.946860         2.126038
BFGS:   15 11:12:19      -53.211410         1.414627
BFGS:   16 11:12:19      -53.375332         0.784871
BFGS:   17 11:12:19      -53.451187         0.242220
BFGS:   18 11:12:19      -53.460240         0.031506
BFGS:   19 11:12:19      -53.460406         0.001691
BFGS:   20 11:12:19      -53.460407         0.000013
BFGS:   21 11:12:19      -53.460407         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.21350342672564e-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]
 [6.87220582e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.86870795e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.23969300e-67 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 3.86870795e-34]
 [3.43610291e-49 3.86870795e-34 5.00000000e-01]]
cellpar =  Cell([[3.9825801719303127, -2.78732358215311e-32, 2.073744743585614e-33], [-3.8989244214202416e-32, 3.9825801719303127, 2.076714734537173e-17], [5.8082418006286645e-33, 2.0767147345371727e-17, 3.9825801719303127]])
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 =  [ 6.21350343e-10  6.21350343e-10  6.21350343e-10 -5.19761915e-26
  4.04753093e-36 -1.21082807e-52]
energy per atom =  -6.682550843454883
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0