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 13:12:16      -34.762944        15.024777
BFGS:    1 13:12:16      -36.600755         6.824321
BFGS:    2 13:12:16      -36.976578         5.469911
BFGS:    3 13:12:16      -37.138398         1.572966
BFGS:    4 13:12:16      -37.156532         0.225784
BFGS:    5 13:12:16      -37.157132         0.078920
BFGS:    6 13:12:16      -37.157214         0.024611
BFGS:    7 13:12:16      -37.157247         0.014650
BFGS:    8 13:12:16      -37.157251         0.003324
BFGS:    9 13:12:16      -37.157251         0.000476
BFGS:   10 13:12:16      -37.157251         0.000019
BFGS:   11 13:12:16      -37.157251         0.000000
BFGS:   12 13:12:16      -37.157251         0.000000
BFGS:   13 13:12:16      -37.157251         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.0078634406815014e-09 eV/Angstrom
Maximum stress component: 1.1969475922655058e-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, -5.405914606136428e-18, -9.587104231051035e-38], [-1.5559026417594395, 2.694902427157986, -9.422451638731747e-38], [1.0243011824363665e-35, 1.8035093186787607e-35, 5.116987888719312]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.09130255e-31  7.08634389e-31 -1.00786344e-09]
 [ 6.13695383e-31  1.06295158e-30  1.00786344e-09]]
stress =  [ 1.19694759e-11  1.19694759e-11 -3.68446783e-13 -3.30872153e-47
 -2.08124327e-47 -6.23547255e-28]
energy per atom =  -12.385750456329239
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0