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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 12:16:40     -109.400855         2.744079
BFGS:    1 12:16:40     -109.644873         1.347926
BFGS:    2 12:16:40     -109.711053         0.208326
BFGS:    3 12:16:41     -109.712563         0.009192
BFGS:    4 12:16:41     -109.712566         0.000059
BFGS:    5 12:16:41     -109.712566         0.000000
BFGS:    6 12:16:42     -109.712566         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.490810817022076e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.5 0.5 0.5]
 [0.5 0.  0. ]
 [0.  0.5 0. ]
 [0.  0.  0.5]]
cellpar =  Cell([[4.431839916020022, 9.70055536975486e-34, -1.8289789795019648e-33], [-9.616599256907973e-34, 4.431839916020022, 8.545221320065791e-22], [1.41154201751608e-32, 8.545221319936803e-22, 4.431839916020022]])
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 =  [ 8.49081082e-15  8.49081082e-15  8.49081082e-15 -3.77453161e-30
  3.26851966e-36 -3.63275973e-52]
energy per atom =  -13.714070747135917
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0