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 16:19:04      -36.934562         1.975982
BFGS:    1 16:19:04      -37.114441         1.876734
BFGS:    2 16:19:04      -37.405965         1.614098
BFGS:    3 16:19:04      -37.629666         1.189909
BFGS:    4 16:19:04      -37.747167         0.619466
BFGS:    5 16:19:04      -37.782972         0.392939
BFGS:    6 16:19:04      -37.800799         0.275424
BFGS:    7 16:19:04      -37.806047         0.277640
BFGS:    8 16:19:04      -37.819391         0.242658
BFGS:    9 16:19:04      -37.822220         0.204431
BFGS:   10 16:19:04      -37.823731         0.164439
BFGS:   11 16:19:04      -37.825185         0.118653
BFGS:   12 16:19:04      -37.827231         0.056533
BFGS:   13 16:19:04      -37.828304         0.029577
BFGS:   14 16:19:04      -37.828543         0.010978
BFGS:   15 16:19:04      -37.828563         0.005627
BFGS:   16 16:19:04      -37.828566         0.003604
BFGS:   17 16:19:04      -37.828569         0.002154
BFGS:   18 16:19:04      -37.828571         0.000909
BFGS:   19 16:19:04      -37.828571         0.000123
BFGS:   20 16:19:04      -37.828571         0.000014
BFGS:   21 16:19:05      -37.828571         0.000001
BFGS:   22 16:19:05      -37.828571         0.000000
BFGS:   23 16:19:05      -37.828571         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.320736305473058e-10 eV/Angstrom
Maximum stress component: 5.18404066017793e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.65952585 0.         0.7497933 ]
 [1.         0.65952585 0.7497933 ]
 [0.34047415 0.34047415 0.7497933 ]
 [0.         0.34047415 0.2502067 ]
 [0.34047415 0.         0.2502067 ]
 [0.65952585 0.65952585 0.2502067 ]]
cellpar =  Cell([[5.014715781423309, 3.366713151031293e-18, -3.7435546834242033e-37], [-2.5073578907116545, 4.342871259471318, -8.006842083154742e-36], [-3.041778366882478e-36, -7.54225018157217e-36, 4.841156667960317]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.32073631e-10 -2.22943175e-28  1.59042142e-10]
 [ 1.66036815e-10 -2.87584200e-10  1.59042142e-10]
 [ 1.66036815e-10  2.87584200e-10  1.59042142e-10]
 [-1.66036815e-10  2.87584200e-10 -1.59042142e-10]
 [ 3.32073631e-10  2.22943175e-28 -1.59042142e-10]
 [-1.66036815e-10 -2.87584200e-10 -1.59042142e-10]]
stress =  [ 1.85593053e-11  1.85593053e-11  5.18404066e-11  7.81687386e-34
 -7.10025046e-47 -6.00061319e-27]
energy per atom =  -5.404081521980027
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0