element(s):
['O', 'Ti']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9432', '0.34065029']
model name:
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Ti']
representative atom coordinates =  [[0.34065029 0.34065029 0.34065029]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.9432, 0, 0], [0, 4.9432, 0], [0, 0, 4.9432]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:03:01      -33.705352        3.4249
BFGS:    1 15:03:01      -34.801602        3.1964
BFGS:    2 15:03:01      -35.828408        2.9653
BFGS:    3 15:03:01      -36.754422        2.7412
BFGS:    4 15:03:01      -37.576762        2.5447
BFGS:    5 15:03:01      -38.325985        2.4089
BFGS:    6 15:03:01      -39.020139        2.2703
BFGS:    7 15:03:01      -39.664920        2.1245
BFGS:    8 15:03:01      -40.264902        1.9699
BFGS:    9 15:03:01      -40.822828        1.8033
BFGS:   10 15:03:01      -41.340134        1.6260
BFGS:   11 15:03:01      -41.818403        1.4399
BFGS:   12 15:03:01      -42.295041        1.5960
BFGS:   13 15:03:01      -42.913898        1.9495
BFGS:   14 15:03:01      -43.702128        2.2889
BFGS:   15 15:03:01      -44.663899        2.5097
BFGS:   16 15:03:01      -45.728033        2.5528
BFGS:   17 15:03:01      -46.799081        2.4636
BFGS:   18 15:03:01      -47.774188        2.2507
BFGS:   19 15:03:01      -48.564063        1.9410
BFGS:   20 15:03:02      -49.115705        1.5783
BFGS:   21 15:03:02      -49.497873        1.3467
BFGS:   22 15:03:02      -49.796970        1.0670
BFGS:   23 15:03:02      -50.012060        0.6904
BFGS:   24 15:03:02      -50.073872        0.1639
BFGS:   25 15:03:02      -50.077836        0.1096
BFGS:   26 15:03:02      -50.079490        0.1006
BFGS:   27 15:03:02      -50.080868        0.0421
BFGS:   28 15:03:02      -50.081067        0.0077
BFGS:   29 15:03:02      -50.081079        0.0008
BFGS:   30 15:03:02      -50.081079        0.0001
BFGS:   31 15:03:02      -50.081079        0.0000
BFGS:   32 15:03:02      -50.081079        0.0000
BFGS:   33 15:03:02      -50.081079        0.0000
Minimization converged after 33 steps.
Maximum force component: 1.7114576480551743e-10 eV/Angstrom
Maximum stress component: 6.4674859502076046e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [1.87775818e-53 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.448064612741777, 4.813481006151802e-37, 0.0], [-1.0193038981497828e-36, 4.448064612741777, 0.0], [0.0, 0.0, 4.448064612741777]])
forces =  [[ 1.71145765e-10  1.71145765e-10  1.71145765e-10]
 [-1.71145765e-10 -1.71145765e-10  1.71145765e-10]
 [-1.71145765e-10  1.71145765e-10 -1.71145765e-10]
 [ 1.71145765e-10 -1.71145765e-10 -1.71145765e-10]
 [-1.71145765e-10 -1.71145765e-10 -1.71145765e-10]
 [ 1.71145765e-10  1.71145765e-10 -1.71145765e-10]
 [ 1.71145765e-10 -1.71145765e-10  1.71145765e-10]
 [-1.71145765e-10  1.71145765e-10  1.71145765e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.46748595e-12 -6.46748595e-12 -6.46748595e-12  0.00000000e+00
  0.00000000e+00 -8.30647996e-34]
energy per atom =  -4.173423285720554
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A2B_cP12_205_c_a, while relaxed is A2B_cF12_225_c_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.