element(s):
['O', 'Ti']
AFLOW prototype label:
AB2_hP3_164_a_d
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0179', '1.6325922', '0.73037115']
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.        ]
 [0.33333333 0.66666667 0.26962885]]
spacegroup =  164
cell =  [[3.0179, 0, 0], [-1.50895, 2.6135780660811, 0], [0, 0, 4.927]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:23:11      -34.762944       15.0248
BFGS:    1 13:23:11      -36.600755        6.8243
BFGS:    2 13:23:11      -36.976578        5.4699
BFGS:    3 13:23:11      -37.138398        1.5730
BFGS:    4 13:23:11      -37.156532        0.2258
BFGS:    5 13:23:11      -37.157132        0.0789
BFGS:    6 13:23:11      -37.157214        0.0246
BFGS:    7 13:23:11      -37.157247        0.0147
BFGS:    8 13:23:11      -37.157251        0.0033
BFGS:    9 13:23:11      -37.157251        0.0005
BFGS:   10 13:23:11      -37.157251        0.0000
BFGS:   11 13:23:11      -37.157251        0.0000
BFGS:   12 13:23:11      -37.157251        0.0000
BFGS:   13 13:23:11      -37.157251        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.0079510137645095e-09 eV/Angstrom
Maximum stress component: 1.1972642084319276e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.2554502 ]
 [0.66666667 0.33333333 0.7445498 ]]
cellpar =  Cell([[3.111805283518879, -7.033615859821951e-18, 1.4646462716958763e-38], [-1.5559026417594395, 2.6949024271579867, -1.7769380642805483e-38], [-4.9650320515664885e-36, -3.138566570503232e-36, 5.116987888719312]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.20543075e-31  1.77158597e-31 -1.00795101e-09]
 [-1.02282564e-31 -1.77158597e-31  1.00795101e-09]]
stress =  [ 1.19726421e-11  1.19726421e-11 -3.66449417e-13 -1.90687289e-32
  9.47311174e-48 -1.96215819e-27]
energy per atom =  -12.38575045632924
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0