element(s):
['Ti']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.397']
model name:
Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.397, 0, 0], [0, 3.397, 0], [0, 0, 3.397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:16:43        4.800589         2.085346
BFGS:    1 10:16:43        4.604026         2.305171
BFGS:    2 10:16:43        4.237187         2.562754
BFGS:    3 10:16:43        3.842178         2.680766
BFGS:    4 10:16:43        3.439935         2.659241
BFGS:    5 10:16:43        3.049048         2.543736
BFGS:    6 10:16:43        2.679472         2.375080
BFGS:    7 10:16:43        2.334924         2.226004
BFGS:    8 10:16:43        2.013190         2.057908
BFGS:    9 10:16:43        1.719315         1.854550
BFGS:   10 10:16:43        1.458588         1.615929
BFGS:   11 10:16:43        1.236255         1.345148
BFGS:   12 10:16:43        1.053740         1.094976
BFGS:   13 10:16:43        0.905783         0.884382
BFGS:   14 10:16:43        0.786447         0.713367
BFGS:   15 10:16:43        0.689843         0.579673
BFGS:   16 10:16:43        0.611672         0.465139
BFGS:   17 10:16:43        0.545691         0.458305
BFGS:   18 10:16:43        0.467562         0.583667
BFGS:   19 10:16:43        0.374923         0.615203
BFGS:   20 10:16:43        0.291200         0.490552
BFGS:   21 10:16:43        0.228068         0.355919
BFGS:   22 10:16:43        0.182354         0.261274
BFGS:   23 10:16:43        0.147532         0.209117
BFGS:   24 10:16:43        0.119425         0.163681
BFGS:   25 10:16:43        0.098364         0.118114
BFGS:   26 10:16:43        0.082150         0.102065
BFGS:   27 10:16:43        0.067767         0.089709
BFGS:   28 10:16:43        0.055165         0.078738
BFGS:   29 10:16:43        0.043994         0.070738
BFGS:   30 10:16:43        0.033805         0.065459
BFGS:   31 10:16:43        0.024308         0.061101
BFGS:   32 10:16:43        0.015563         0.054967
BFGS:   33 10:16:43        0.008043         0.044371
BFGS:   34 10:16:43        0.002563         0.027612
BFGS:   35 10:16:43        0.000067         0.004777
BFGS:   36 10:16:43        0.000000         0.000000
Minimization converged after 36 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 0.0 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[6.3528137358162375, 2.3453248076688827e-33, 3.6110368613544956e-32], [-1.0393637110158096e-32, 6.352813735816239, 9.288337042424795e-17], [4.834701946757986e-32, 9.288337042424787e-17, 6.3528137358162375]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [0. 0. 0. 0. 0. 0.]
energy per atom =  0.0
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0