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_SaLee_2008_FeTi__MO_260546967793_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       -9.522038         1.166352
BFGS:    1 16:14:33       -9.575163         0.956173
BFGS:    2 16:14:33       -9.664773         0.207674
BFGS:    3 16:14:33       -9.668433         0.034500
BFGS:    4 16:14:33       -9.668532         0.000984
BFGS:    5 16:14:33       -9.668532         0.000004
BFGS:    6 16:14:33       -9.668532         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.216910533400919e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2634747273644686, -2.3298107843827448e-32, -4.0295825107886897e-32], [-7.93282668428883e-33, 3.2634747273644695, -9.573914353005489e-18], [3.9860464256979265e-32, -9.57391435300555e-18, 3.2634747273644686]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.21691053e-11 -3.21691053e-11 -3.21691053e-11  2.97873838e-28
 -9.64447754e-35  1.14746701e-51]
energy per atom =  -4.834265924405748
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0