element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:48:17      -88.455397         0.423676
BFGS:    1 16:48:17      -88.465304         0.274892
BFGS:    2 16:48:17      -88.469887         0.251329
BFGS:    3 16:48:17      -88.470978         0.231039
BFGS:    4 16:48:17      -88.477720         0.059895
BFGS:    5 16:48:17      -88.478261         0.028871
BFGS:    6 16:48:17      -88.478281         0.002933
BFGS:    7 16:48:17      -88.478282         0.002691
BFGS:    8 16:48:17      -88.478282         0.002453
BFGS:    9 16:48:17      -88.478283         0.001341
BFGS:   10 16:48:17      -88.478284         0.000884
BFGS:   11 16:48:17      -88.478284         0.000188
BFGS:   12 16:48:17      -88.478284         0.000016
BFGS:   13 16:48:17      -88.478284         0.000001
BFGS:   14 16:48:17      -88.478284         0.000000
BFGS:   15 16:48:17      -88.478284         0.000000
Minimization converged after 15 steps.
Maximum force component: 8.315523963853267e-10 eV/Angstrom
Maximum stress component: 1.0230719966326088e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.89480007e-35 0.00000000e+00 1.87500000e-01]
 [0.00000000e+00 6.64184585e-36 6.87500000e-01]
 [0.00000000e+00 1.22885517e-35 8.12500000e-01]
 [1.99147838e-35 0.00000000e+00 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.5213446854690065, -1.1638770232635016e-20, -5.863179510146918e-39], [-1.2606723427345032, 2.1835485493130444, -2.6949826281325946e-38], [1.3029617605960194e-38, -3.1980940116037407e-37, 12.352015890023678]])
forces =  [[-1.78291772e-49  4.37613646e-48 -1.69019757e-10]
 [-1.78291772e-49  4.37613646e-48 -1.69019757e-10]
 [ 1.78291772e-49 -4.37613646e-48  1.69019757e-10]
 [ 1.78291772e-49 -4.37613646e-48  1.69019757e-10]
 [ 4.97247563e-31 -8.61258043e-31  3.83733725e-10]
 [ 4.14372969e-31 -1.43543007e-31  3.83733725e-10]
 [-3.31498375e-31  5.74172028e-31 -3.83733725e-10]
 [-2.90061078e-31  7.17715036e-32 -3.83733725e-10]
 [-4.97247563e-31  2.87086014e-31 -8.31552396e-10]
 [ 3.31498375e-31 -2.87086014e-31 -8.31552396e-10]
 [ 3.06085658e-31 -2.43069897e-31  8.31552396e-10]
 [-4.14372969e-31  1.43543007e-31  8.31552396e-10]]
stress =  [-2.76718750e-11 -2.76718750e-11 -1.02307200e-10 -1.58427967e-32
 -2.11080991e-33 -9.47802132e-27]
energy per atom =  -7.373190331188046
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0