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:
Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000
==== 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 15:55:20      -36.328952        11.691129
BFGS:    1 15:55:20      -38.069643        11.492597
BFGS:    2 15:55:20      -39.769430        11.148072
BFGS:    3 15:55:20      -41.413149        10.773319
BFGS:    4 15:55:20      -42.997632        10.338872
BFGS:    5 15:55:20      -44.510533         9.818894
BFGS:    6 15:55:20      -45.939036         9.213663
BFGS:    7 15:55:20      -47.270417         8.524160
BFGS:    8 15:55:20      -48.492176         7.752733
BFGS:    9 15:55:20      -49.592329         6.903297
BFGS:   10 15:55:20      -50.559612         5.982553
BFGS:   11 15:55:21      -51.383850         4.996749
BFGS:   12 15:55:21      -52.055806         3.955715
BFGS:   13 15:55:21      -52.569689         2.915616
BFGS:   14 15:55:21      -52.946860         2.126038
BFGS:   15 15:55:21      -53.211410         1.414627
BFGS:   16 15:55:21      -53.375332         0.784871
BFGS:   17 15:55:21      -53.451187         0.242220
BFGS:   18 15:55:21      -53.460240         0.031506
BFGS:   19 15:55:21      -53.460406         0.001691
BFGS:   20 15:55:21      -53.460407         0.000013
BFGS:   21 15:55:21      -53.460407         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.213512255874055e-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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [6.87220582e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.982580171930313, 1.3049868818861466e-32, 1.6850438616459277e-32], [1.3700928017175819e-32, 3.982580171930313, -1.899585724604339e-17], [-1.0349551459144043e-32, -1.899585724604337e-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 =  [ 6.21351226e-10  6.21351226e-10  6.21351226e-10  1.58036178e-27
 -7.69030877e-35 -5.80678405e-52]
energy per atom =  -6.682550843454901
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0