element(s):
['Ti']
AFLOW prototype label:
A_hP3_191_ad
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:
['4.7179', '0.60942368']
model name:
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[4.7179, 0, 0], [-2.35895, 4.0858212525146, 0], [0, 0, 2.8752]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:39:20      -14.241869         0.771432
BFGS:    1 11:39:20      -14.259994         0.667108
BFGS:    2 11:39:20      -14.305447         0.149546
BFGS:    3 11:39:20      -14.307141         0.119694
BFGS:    4 11:39:20      -14.307349         0.108250
BFGS:    5 11:39:20      -14.308518         0.002903
BFGS:    6 11:39:20      -14.308520         0.000164
BFGS:    7 11:39:20      -14.308520         0.000006
BFGS:    8 11:39:20      -14.308520         0.000000
BFGS:    9 11:39:20      -14.308520         0.000000
Minimization converged after 9 steps.
Maximum force component: 6.537147410815778e-32 eV/Angstrom
Maximum stress component: 6.633094276760239e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[4.593021203981422, 2.6294885506907288e-17, -1.4262785411687248e-36], [-2.296510601990711, 3.977673042768498, 6.782298112456113e-37], [-8.727294554528458e-37, -1.7811260619119006e-36, 2.861671095632542]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.77422382e-32 -6.53714741e-32  1.22938833e-68]
 [ 3.77422382e-32  6.53714741e-32 -1.22938833e-68]]
stress =  [-6.41467332e-11 -6.41467332e-11  6.63309428e-11  1.08285838e-33
  6.25188576e-34  2.49889280e-26]
energy per atom =  -4.769506727968966
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0