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:
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000
==== 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 10:16:45       -9.334906         2.191254
BFGS:    1 10:16:45       -9.497262         1.253013
BFGS:    2 10:16:45       -9.571670         0.038318
BFGS:    3 10:16:45       -9.571767         0.013538
BFGS:    4 10:16:45       -9.571781         0.000066
BFGS:    5 10:16:45       -9.571781         0.000000
BFGS:    6 10:16:45       -9.571781         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.380809015791215e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.276087467915137, 2.5101269683803113e-33, -1.9426525495607257e-32], [4.7770049045485036e-36, 3.276087467915138, 5.522547489291274e-19], [-1.1042215599344084e-32, 5.522547489291396e-19, 3.276087467915137]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.38080902e-14 -5.38080902e-14 -5.38080902e-14  1.52976124e-29
  9.57035917e-35  9.59066094e-51]
energy per atom =  -4.785890365508674
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0