element(s):
['O', 'Ti']
AFLOW prototype label:
A2B_tP6_136_f_a
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:
['4.6726', '0.64700595', '0.30516921']
model name:
Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Ti']
representative atom coordinates =  [[0.30516921 0.30516921 0.        ]
 [0.         0.         0.        ]]
spacegroup =  136
cell =  [[4.6726, 0, 0], [0, 4.6726, 0], [0, 0, 3.0232]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:16:46      -36.248440        2.7460
BFGS:    1 18:16:46      -36.430581        2.5536
BFGS:    2 18:16:46      -36.659642        2.2932
BFGS:    3 18:16:46      -36.849035        2.1999
BFGS:    4 18:16:46      -36.977025        1.9845
BFGS:    5 18:16:46      -37.082305        1.7130
BFGS:    6 18:16:46      -37.172846        1.3444
BFGS:    7 18:16:46      -37.255675        0.9582
BFGS:    8 18:16:46      -37.339349        0.7856
BFGS:    9 18:16:46      -37.427403        1.0844
BFGS:   10 18:16:46      -37.507935        1.2703
BFGS:   11 18:16:46      -37.561539        1.4693
BFGS:   12 18:16:46      -37.599900        1.9785
BFGS:   13 18:16:46      -37.625939        2.1607
BFGS:   14 18:16:46      -37.701884        2.2562
BFGS:   15 18:16:46      -37.816361        1.7986
BFGS:   16 18:16:46      -37.894819        1.1634
BFGS:   17 18:16:46      -37.931748        0.3356
BFGS:   18 18:16:46      -37.937551        0.2692
BFGS:   19 18:16:46      -37.940157        0.2863
BFGS:   20 18:16:46      -37.943114        0.2373
BFGS:   21 18:16:46      -37.945633        0.1266
BFGS:   22 18:16:46      -37.946423        0.0392
BFGS:   23 18:16:46      -37.946489        0.0039
BFGS:   24 18:16:46      -37.946492        0.0002
BFGS:   25 18:16:46      -37.946492        0.0000
BFGS:   26 18:16:46      -37.946492        0.0000
BFGS:   27 18:16:46      -37.946492        0.0000
BFGS:   28 18:16:46      -37.946492        0.0000
Minimization converged after 28 steps.
Maximum force component: 1.2055286131330838e-09 eV/Angstrom
Maximum stress component: 2.0464812864420732e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Ti', 'Ti']
basis =  [[3.47029162e-01 3.47029162e-01 2.60581290e-33]
 [6.52970838e-01 6.52970838e-01 1.37148047e-33]
 [1.52970838e-01 8.47029162e-01 5.00000000e-01]
 [8.47029162e-01 1.52970838e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.741119150627581, 1.6691697633168517e-36, -4.67861607462847e-33], [2.300086605801334e-36, 4.741119150627582, -2.8674803275058004e-18], [1.1530717656919211e-32, -1.357425347433903e-18, 2.8085415454906224]])
forces =  [[-1.20552861e-09 -1.20552861e-09  7.29116791e-28]
 [ 1.20552861e-09  1.20552861e-09 -7.29116791e-28]
 [ 1.20552861e-09 -1.20552861e-09  7.29116791e-28]
 [-1.20552861e-09  1.20552861e-09 -7.29116791e-28]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [2.04648129e-10 2.04648129e-10 1.46766462e-10 2.55101516e-28
 3.23986401e-33 8.52308825e-49]
energy per atom =  -6.324415263685464
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0