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 14:39:00      -36.328952       11.6911
BFGS:    1 14:39:00      -38.069643       11.4926
BFGS:    2 14:39:00      -39.769430       11.1481
BFGS:    3 14:39:00      -41.413149       10.7733
BFGS:    4 14:39:00      -42.997632       10.3389
BFGS:    5 14:39:00      -44.510533        9.8189
BFGS:    6 14:39:00      -45.939036        9.2137
BFGS:    7 14:39:00      -47.270417        8.5242
BFGS:    8 14:39:00      -48.492176        7.7527
BFGS:    9 14:39:00      -49.592329        6.9033
BFGS:   10 14:39:00      -50.559612        5.9826
BFGS:   11 14:39:00      -51.383850        4.9967
BFGS:   12 14:39:00      -52.055806        3.9557
BFGS:   13 14:39:00      -52.569689        2.9156
BFGS:   14 14:39:00      -52.946860        2.1260
BFGS:   15 14:39:00      -53.211410        1.4146
BFGS:   16 14:39:00      -53.375332        0.7849
BFGS:   17 14:39:00      -53.451187        0.2422
BFGS:   18 14:39:00      -53.460240        0.0315
BFGS:   19 14:39:00      -53.460406        0.0017
BFGS:   20 14:39:00      -53.460407        0.0000
BFGS:   21 14:39:00      -53.460407        0.0000
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