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_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_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 16:14:04       -9.334906         2.191254
BFGS:    1 16:14:04       -9.497262         1.253013
BFGS:    2 16:14:04       -9.571670         0.038318
BFGS:    3 16:14:04       -9.571767         0.013538
BFGS:    4 16:14:04       -9.571781         0.000066
BFGS:    5 16:14:04       -9.571781         0.000000
BFGS:    6 16:14:04       -9.571781         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.360952151382503e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2760874679151364, -1.1646279496792761e-33, 2.121199060459893e-33], [1.755666155843831e-32, 3.2760874679151377, -4.5860312072418837e-20], [1.691935955161492e-32, -4.586031207244754e-20, 3.2760874679151364]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.36095215e-14 -5.36095215e-14 -5.36095215e-14  4.26434456e-30
  1.14844310e-33 -4.82360383e-49]
energy per atom =  -4.785890365508677
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0