element(s):
['C', 'Ti']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.407']
model name:
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.407, 0, 0], [0, 4.407, 0], [0, 0, 4.407]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:18:49      -56.642303         0.695950
BFGS:    1 19:18:49      -56.662376         0.649934
BFGS:    2 19:18:49      -56.742075         0.410464
BFGS:    3 19:18:49      -56.784822         0.157141
BFGS:    4 19:18:49      -56.791841         0.007225
BFGS:    5 19:18:49      -56.791855         0.000119
BFGS:    6 19:18:49      -56.791855         0.000000
BFGS:    7 19:18:49      -56.791855         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.02814881808085e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.90085208e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.89556862e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [7.90085208e-50 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 8.89556862e-35 5.00000000e-01]]
cellpar =  Cell([[4.33008844450027, 7.310320962055219e-33, 2.9947639080099726e-33], [5.022040769407515e-33, 4.33008844450027, -6.0467558424934424e-18], [1.931158551538405e-34, -6.04675584249344e-18, 4.33008844450027]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.02814882e-13 -1.02814882e-13 -1.02814882e-13 -8.48612235e-30
  8.76527734e-34  6.36096419e-50]
energy per atom =  -7.098981934642506
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0