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 20:05:02       -9.540434         1.274556
BFGS:    1 20:05:02       -9.603194         1.019048
BFGS:    2 20:05:02       -9.695429         0.173635
BFGS:    3 20:05:02       -9.697686         0.028839
BFGS:    4 20:05:02       -9.697748         0.000646
BFGS:    5 20:05:02       -9.697748         0.000002
BFGS:    6 20:05:02       -9.697748         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0367038229249785e-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, 1.235464175311789e-32, 6.931055736136496e-33], [2.521356379381648e-32, 3.2661362059052386, -1.9781291032900557e-18], [-1.5320545815448506e-33, -1.9781291032900415e-18, 3.2661362059052377]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.03670382e-11 -1.03670382e-11 -1.03670382e-11  4.91228135e-29
  6.16842818e-35 -1.83455303e-51]
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