element(s):
['O', 'Ti']
AFLOW prototype label:
AB3_hP8_193_b_g
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2585', '0.93800513', '0.33041384']
model name:
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33041384 0.         0.25      ]]
spacegroup =  193
cell =  [[5.2585, 0, 0], [-2.62925, 4.5539945858005, 0], [0, 0, 4.9325]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:07:12      -44.021756        3.4822
BFGS:    1 09:07:12      -44.450880        3.2035
BFGS:    2 09:07:12      -44.838468        2.8915
BFGS:    3 09:07:12      -45.185514        2.5485
BFGS:    4 09:07:12      -45.488257        2.1795
BFGS:    5 09:07:12      -45.743676        1.7884
BFGS:    6 09:07:12      -45.949539        1.3828
BFGS:    7 09:07:12      -46.104774        0.9710
BFGS:    8 09:07:12      -46.209743        0.5721
BFGS:    9 09:07:12      -46.266023        0.3299
BFGS:   10 09:07:12      -46.275933        0.1445
BFGS:   11 09:07:12      -46.276509        0.1519
BFGS:   12 09:07:12      -46.278240        0.1389
BFGS:   13 09:07:12      -46.279753        0.0910
BFGS:   14 09:07:12      -46.280724        0.0275
BFGS:   15 09:07:12      -46.280927        0.0165
BFGS:   16 09:07:12      -46.280960        0.0121
BFGS:   17 09:07:12      -46.280982        0.0081
BFGS:   18 09:07:12      -46.280996        0.0050
BFGS:   19 09:07:12      -46.280999        0.0013
BFGS:   20 09:07:12      -46.280999        0.0001
BFGS:   21 09:07:12      -46.280999        0.0000
BFGS:   22 09:07:12      -46.280999        0.0000
BFGS:   23 09:07:12      -46.280999        0.0000
BFGS:   24 09:07:12      -46.280999        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.8136859943598864e-10 eV/Angstrom
Maximum stress component: 9.238809771193275e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [3.45468818e-01 0.00000000e+00 2.50000000e-01]
 [2.24113459e-17 3.45468818e-01 2.50000000e-01]
 [6.54531182e-01 6.54531182e-01 2.50000000e-01]
 [6.54531182e-01 0.00000000e+00 7.50000000e-01]
 [1.00000000e+00 6.54531182e-01 7.50000000e-01]
 [3.45468818e-01 3.45468818e-01 7.50000000e-01]]
cellpar =  Cell([[4.953843590162244, -4.458997637837287e-18, -5.838068597547924e-38], [-2.476921795081122, 4.290154395455212, -5.810629349192119e-37], [1.2477595269757397e-37, -1.8356125963742772e-37, 4.706979701582998]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.81368599e-10 -1.63110438e-28 -2.13741574e-48]
 [-9.06842997e-11  1.57069815e-10 -2.12736976e-47]
 [-9.06842997e-11 -1.57069815e-10  2.34111134e-47]
 [-1.81368599e-10  1.63110438e-28  2.13741574e-48]
 [ 9.06842997e-11 -1.57069815e-10  3.86786695e-32]
 [ 9.06842997e-11  1.57069815e-10  3.86786695e-32]]
stress =  [ 2.96643082e-11  2.96643082e-11  9.23880977e-11  7.62983639e-35
 -4.40508809e-35  6.05953162e-27]
energy per atom =  -5.78512486437366
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0