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_KavousiNovakBaskes_2019_NiTi__MO_050461957184_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 09:35:48       -9.431866        1.1552
BFGS:    1 09:35:48       -9.482667        0.8941
BFGS:    2 09:35:48       -9.551947        0.0046
BFGS:    3 09:35:48       -9.551949        0.0004
BFGS:    4 09:35:48       -9.551949        0.0000
BFGS:    5 09:35:48       -9.551949        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.624286191213701e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.283642206988817, 4.871640552239566e-33, -1.3914636580412805e-34], [5.4102509021578306e-33, 3.283642206988818, 1.8836017516353595e-17], [6.494457203235738e-34, 1.8836017516353595e-17, 3.283642206988817]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.62428619e-13  4.62428619e-13  4.62428619e-13 -7.29269795e-30
 -4.76318620e-35  9.31505152e-52]
energy per atom =  -4.775974453924036
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0