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 14:36:53     -109.400855        2.7441
BFGS:    1 14:36:53     -109.644873        1.3479
BFGS:    2 14:36:53     -109.711053        0.2083
BFGS:    3 14:36:53     -109.712563        0.0092
BFGS:    4 14:36:54     -109.712566        0.0001
BFGS:    5 14:36:54     -109.712566        0.0000
BFGS:    6 14:36:54     -109.712566        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6967180829991488e-15 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 1.35802086e-36 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]
 [0.00000000e+00 1.35802086e-36 5.00000000e-01]]
cellpar =  Cell([[4.431839916020021, -9.131551446670287e-34, 1.5240236883179222e-33], [2.0820994537244485e-34, 4.431839916020021, -6.631594697368803e-20], [1.463262650290639e-32, -6.631594697371746e-20, 4.431839916020021]])
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 =  [ 1.69671808e-15  1.69671808e-15  1.69671808e-15 -4.12885500e-32
  5.22963146e-35 -6.56202176e-51]
energy per atom =  -13.714070747135906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0