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:
Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000
==== 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 16:03:44      -65.714672         1.678891
BFGS:    1 16:03:44      -65.837635         1.687763
BFGS:    2 16:03:44      -66.096181         1.697327
BFGS:    3 16:03:44      -66.356212         1.693706
BFGS:    4 16:03:44      -66.616101         1.677231
BFGS:    5 16:03:44      -66.874108         1.652088
BFGS:    6 16:03:44      -67.129840         1.623956
BFGS:    7 16:03:44      -67.382945         1.590924
BFGS:    8 16:03:44      -67.641663         1.641436
BFGS:    9 16:03:44      -67.918620         1.716370
BFGS:   10 16:03:44      -68.216711         1.800458
BFGS:   11 16:03:44      -68.536552         1.879971
BFGS:   12 16:03:44      -68.880130         1.954319
BFGS:   13 16:03:44      -69.249617         2.023274
BFGS:   14 16:03:44      -69.647555         2.083966
BFGS:   15 16:03:44      -70.074255         2.124245
BFGS:   16 16:03:44      -70.524224         2.132725
BFGS:   17 16:03:44      -70.989412         2.101831
BFGS:   18 16:03:44      -71.467204         2.040286
BFGS:   19 16:03:44      -71.982284         2.251859
BFGS:   20 16:03:44      -72.625035         2.563305
BFGS:   21 16:03:44      -73.408818         2.785679
BFGS:   22 16:03:44      -74.308743         2.899663
BFGS:   23 16:03:44      -75.315916         2.802033
BFGS:   24 16:03:44      -76.578889         2.546120
BFGS:   25 16:03:44      -77.720855         2.363798
BFGS:   26 16:03:44      -78.827527         2.261407
BFGS:   27 16:03:44      -79.850558         2.017276
BFGS:   28 16:03:44      -80.682346         1.504137
BFGS:   29 16:03:44      -81.216990         0.957099
BFGS:   30 16:03:44      -81.560876         0.652347
BFGS:   31 16:03:45      -81.739363         0.466299
BFGS:   32 16:03:45      -81.763957         0.739892
BFGS:   33 16:03:45      -81.765330         0.713349
BFGS:   34 16:03:45      -81.776132         0.520267
BFGS:   35 16:03:45      -81.789791         0.281835
BFGS:   36 16:03:45      -81.805677         0.123005
BFGS:   37 16:03:45      -81.812992         0.065231
BFGS:   38 16:03:45      -81.814249         0.024128
BFGS:   39 16:03:45      -81.814296         0.003048
BFGS:   40 16:03:45      -81.814297         0.000069
BFGS:   41 16:03:45      -81.814297         0.000002
BFGS:   42 16:03:45      -81.814297         0.000000
BFGS:   43 16:03:45      -81.814297         0.000000
Minimization converged after 43 steps.
Maximum force component: 4.330382204440857e-11 eV/Angstrom
Maximum stress component: 6.279640458235208e-11 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 2.38026211e-54 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.386276237095727, 1.2856927511605536e-37, 0.0], [-2.659337322053967e-37, 4.386276237095727, 0.0], [0.0, 0.0, 4.386276237095727]])
forces =  [[-4.3303822e-11 -4.3303822e-11 -4.3303822e-11]
 [ 4.3303822e-11  4.3303822e-11 -4.3303822e-11]
 [ 4.3303822e-11 -4.3303822e-11  4.3303822e-11]
 [-4.3303822e-11  4.3303822e-11  4.3303822e-11]
 [ 4.3303822e-11  4.3303822e-11  4.3303822e-11]
 [-4.3303822e-11 -4.3303822e-11  4.3303822e-11]
 [-4.3303822e-11  4.3303822e-11 -4.3303822e-11]
 [ 4.3303822e-11 -4.3303822e-11 -4.3303822e-11]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]]
stress =  [-6.27964046e-11 -6.27964046e-11 -6.27964046e-11  0.00000000e+00
  0.00000000e+00  1.70843018e-33]
energy per atom =  -6.81785805379596
===============================================
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.