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:
MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002
==== 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 16:14:33       -9.120198         4.496487
BFGS:    1 16:14:33       -9.425488         0.392403
BFGS:    2 16:14:33       -9.430587         0.320853
BFGS:    3 16:14:33       -9.439974         0.044673
BFGS:    4 16:14:33       -9.440131         0.004644
BFGS:    5 16:14:33       -9.440133         0.000044
BFGS:    6 16:14:33       -9.440133         0.000000
BFGS:    7 16:14:33       -9.440133         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3370885900121914e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2715697637504655, -6.297490250985873e-33, -3.588768214868821e-33], [-1.5254339664344775e-32, 3.271569763750467, 5.036380494379237e-18], [3.428565977640926e-33, 5.036380494379227e-18, 3.271569763750466]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.33708859e-14  2.33708859e-14  2.33708859e-14 -7.89596625e-32
 -9.89670907e-35  3.08628594e-52]
energy per atom =  -4.720066408036648
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0