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_KimKimJung_2017_NiAlTi__MO_478967255435_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 17:13:13       -9.540434         1.274556
BFGS:    1 17:13:13       -9.603194         1.019048
BFGS:    2 17:13:13       -9.695429         0.173635
BFGS:    3 17:13:13       -9.697686         0.028839
BFGS:    4 17:13:13       -9.697748         0.000646
BFGS:    5 17:13:13       -9.697748         0.000002
BFGS:    6 17:13:13       -9.697748         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0366996805376345e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2661362059052377, -2.514160202000592e-33, -8.068440459533713e-34], [-1.0034212820566704e-32, 3.2661362059052386, 4.159340358660249e-18], [4.4660865896246416e-33, 4.159340358660243e-18, 3.2661362059052377]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.03669968e-11 -1.03669968e-11 -1.03669968e-11 -1.29599182e-27
 -1.44431489e-34 -1.84021427e-50]
energy per atom =  -4.848873948891387
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0