element(s):
['Ti']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0022', '1.5915662']
model name:
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0022, 0, 0], [-1.5011, 2.5999814672416, 0], [0, 0, 4.7782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:14:26       -9.674142         0.862300
BFGS:    1 14:14:26       -9.701196         0.679702
BFGS:    2 14:14:26       -9.739079         0.144806
BFGS:    3 14:14:26       -9.739892         0.031167
BFGS:    4 14:14:26       -9.739929         0.035041
BFGS:    5 14:14:26       -9.740030         0.029634
BFGS:    6 14:14:26       -9.740066         0.013773
BFGS:    7 14:14:26       -9.740075         0.002273
BFGS:    8 14:14:26       -9.740075         0.000256
BFGS:    9 14:14:26       -9.740075         0.000014
BFGS:   10 14:14:26       -9.740075         0.000001
BFGS:   11 14:14:26       -9.740075         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.7995685434803828e-32 eV/Angstrom
Maximum stress component: 4.328945824739202e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.919966904697277, 1.0181560435534242e-17, -3.573409209770303e-37], [-1.4599834523486386, 2.528765517677656, -4.890862011013766e-37], [5.4143181705483344e-36, -2.7218208769277855e-36, 4.682392124671013]])
forces =  [[ 1.79956854e-32 -1.03898138e-32 -4.80957824e-33]
 [-1.79956854e-32  1.03898138e-32 -5.41295317e-70]]
stress =  [ 4.32894582e-10  4.32894582e-10  3.98010381e-10 -1.38797887e-33
 -2.40404992e-33  7.03092300e-26]
energy per atom =  -4.870037627072212
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0