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:
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_001
==== 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 16:20:29      -16.435978         4.842828
BFGS:    1 16:20:29      -17.031023         3.771366
BFGS:    2 16:20:29      -17.486808         2.394885
BFGS:    3 16:20:29      -17.733504         0.801090
BFGS:    4 16:20:30      -17.781088         0.391687
BFGS:    5 16:20:30      -17.790408         0.119432
BFGS:    6 16:20:30      -17.791098         0.097886
BFGS:    7 16:20:30      -17.792581         0.012466
BFGS:    8 16:20:30      -17.792585         0.009487
BFGS:    9 16:20:30      -17.792589         0.000496
BFGS:   10 16:20:30      -17.792589         0.000039
BFGS:   11 16:20:30      -17.792589         0.000001
BFGS:   12 16:20:30      -17.792589         0.000000
BFGS:   13 16:20:30      -17.792589         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.431304897954534e-10 eV/Angstrom
Maximum stress component: 5.516974484314277e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.24799586]
 [0.66666667 0.33333333 0.75200414]]
cellpar =  Cell([[2.834289921890173, 4.2257785948038984e-17, -2.8302735638856126e-37], [-1.4171449609450866, 2.4545670740471035, 3.060620951345307e-37], [-4.2712982947962674e-36, -5.220858648160656e-36, 4.687117225354436]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.32902137e-32 -4.03398334e-32  8.43130490e-10]
 [ 6.36841780e-33 -1.00849584e-32 -8.43130490e-10]]
stress =  [-4.27703529e-10 -4.27703529e-10 -5.51697448e-10 -8.87650364e-45
 -3.36754158e-45  1.25788980e-25]
energy per atom =  -5.930863053087798
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0