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 15:02:30      -65.714672        1.6789
BFGS:    1 15:02:30      -65.837635        1.6878
BFGS:    2 15:02:30      -66.096181        1.6973
BFGS:    3 15:02:30      -66.356212        1.6937
BFGS:    4 15:02:30      -66.616101        1.6772
BFGS:    5 15:02:30      -66.874108        1.6521
BFGS:    6 15:02:30      -67.129840        1.6240
BFGS:    7 15:02:30      -67.382945        1.5909
BFGS:    8 15:02:30      -67.641663        1.6414
BFGS:    9 15:02:30      -67.918620        1.7164
BFGS:   10 15:02:30      -68.216711        1.8005
BFGS:   11 15:02:31      -68.536552        1.8800
BFGS:   12 15:02:31      -68.880130        1.9543
BFGS:   13 15:02:31      -69.249617        2.0233
BFGS:   14 15:02:31      -69.647555        2.0840
BFGS:   15 15:02:31      -70.074255        2.1242
BFGS:   16 15:02:31      -70.524224        2.1327
BFGS:   17 15:02:31      -70.989412        2.1018
BFGS:   18 15:02:31      -71.467204        2.0403
BFGS:   19 15:02:31      -71.982284        2.2519
BFGS:   20 15:02:31      -72.625035        2.5633
BFGS:   21 15:02:31      -73.408818        2.7857
BFGS:   22 15:02:31      -74.308743        2.8997
BFGS:   23 15:02:31      -75.315916        2.8020
BFGS:   24 15:02:31      -76.578889        2.5461
BFGS:   25 15:02:31      -77.720855        2.3638
BFGS:   26 15:02:31      -78.827527        2.2614
BFGS:   27 15:02:31      -79.850558        2.0173
BFGS:   28 15:02:31      -80.682346        1.5041
BFGS:   29 15:02:31      -81.216990        0.9571
BFGS:   30 15:02:31      -81.560876        0.6523
BFGS:   31 15:02:31      -81.739363        0.4663
BFGS:   32 15:02:31      -81.763957        0.7399
BFGS:   33 15:02:31      -81.765330        0.7133
BFGS:   34 15:02:31      -81.776132        0.5203
BFGS:   35 15:02:31      -81.789791        0.2818
BFGS:   36 15:02:31      -81.805677        0.1230
BFGS:   37 15:02:31      -81.812992        0.0652
BFGS:   38 15:02:31      -81.814249        0.0241
BFGS:   39 15:02:31      -81.814296        0.0030
BFGS:   40 15:02:31      -81.814297        0.0001
BFGS:   41 15:02:31      -81.814297        0.0000
BFGS:   42 15:02:31      -81.814297        0.0000
BFGS:   43 15:02:31      -81.814297        0.0000
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.