element(s):
['O', 'Ti']
AFLOW prototype label:
AB6_hP7_162_a_k
Parameter names:
['a', 'c/a', 'x2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2275', '0.9271736', '0.66829887', '0.73971907']
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.        ]
 [0.66829887 0.         0.73971907]]
spacegroup =  162
cell =  [[5.2275, 0, 0], [-2.61375, 4.5271477982832, 0], [0, 0, 4.8468]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:28:20      -36.934562        1.9760
BFGS:    1 09:28:20      -37.114441        1.8767
BFGS:    2 09:28:20      -37.405965        1.6141
BFGS:    3 09:28:20      -37.629666        1.1899
BFGS:    4 09:28:20      -37.747167        0.6195
BFGS:    5 09:28:20      -37.782972        0.3929
BFGS:    6 09:28:20      -37.800799        0.2754
BFGS:    7 09:28:20      -37.806047        0.2776
BFGS:    8 09:28:20      -37.819391        0.2427
BFGS:    9 09:28:20      -37.822220        0.2044
BFGS:   10 09:28:20      -37.823731        0.1644
BFGS:   11 09:28:20      -37.825185        0.1187
BFGS:   12 09:28:20      -37.827231        0.0565
BFGS:   13 09:28:20      -37.828304        0.0296
BFGS:   14 09:28:20      -37.828543        0.0110
BFGS:   15 09:28:20      -37.828563        0.0056
BFGS:   16 09:28:20      -37.828566        0.0036
BFGS:   17 09:28:20      -37.828569        0.0022
BFGS:   18 09:28:20      -37.828571        0.0009
BFGS:   19 09:28:20      -37.828571        0.0001
BFGS:   20 09:28:20      -37.828571        0.0000
BFGS:   21 09:28:20      -37.828571        0.0000
BFGS:   22 09:28:20      -37.828571        0.0000
BFGS:   23 09:28:20      -37.828571        0.0000
Minimization converged after 23 steps.
Maximum force component: 3.320789349586871e-10 eV/Angstrom
Maximum stress component: 5.183967053877607e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.59525852e-01 0.00000000e+00 7.49793295e-01]
 [8.85572043e-17 6.59525852e-01 7.49793295e-01]
 [3.40474148e-01 3.40474148e-01 7.49793295e-01]
 [0.00000000e+00 3.40474148e-01 2.50206705e-01]
 [3.40474148e-01 3.81404868e-33 2.50206705e-01]
 [6.59525852e-01 6.59525852e-01 2.50206705e-01]]
cellpar =  Cell([[5.01471578142331, 4.85299894310309e-18, -2.5281702542271427e-37], [-2.507357890711655, 4.342871259471317, 5.2283399594563416e-37], [-1.458727219217788e-36, -3.6963865145498095e-36, 4.841156667960315]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.32078935e-10 -3.21369902e-28  1.59033153e-10]
 [ 1.66039467e-10 -2.87588794e-10  1.59033153e-10]
 [ 1.66039467e-10  2.87588794e-10  1.59033153e-10]
 [-1.66039467e-10  2.87588794e-10 -1.59033153e-10]
 [ 3.32078935e-10  3.21441276e-28 -1.59033153e-10]
 [-1.66039467e-10 -2.87588794e-10 -1.59033153e-10]]
stress =  [ 1.85591431e-11  1.85591431e-11  5.18396705e-11 -3.03217550e-47
 -5.56765898e-48  3.05337769e-27]
energy per atom =  -5.404081521980023
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0