element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:47:52      -43.737064         2.505413
BFGS:    1 16:47:52      -43.899271         2.030429
BFGS:    2 16:47:52      -44.070682         1.405028
BFGS:    3 16:47:52      -44.181686         0.821878
BFGS:    4 16:47:52      -44.236390         0.278663
BFGS:    5 16:47:52      -44.243874         0.014778
BFGS:    6 16:47:52      -44.243896         0.000288
BFGS:    7 16:47:52      -44.243896         0.000088
BFGS:    8 16:47:52      -44.243896         0.000065
BFGS:    9 16:47:52      -44.243896         0.000006
BFGS:   10 16:47:52      -44.243896         0.000001
BFGS:   11 16:47:52      -44.243896         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.403419598187165e-09 eV/Angstrom
Maximum stress component: 3.9524642236570257e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.57020506e-33 1.11404193e-32 3.33333333e-01]
 [0.00000000e+00 1.00000000e+00 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 3.68352413e-11]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.555161093466206, -3.298636342680278e-17, -8.52663004418859e-24], [-1.277580546733103, 2.2128344177033603, -2.7046032135154545e-18], [-4.3115867789786665e-23, 4.440890853457622e-16, 12.451199914505997]])
forces =  [[-8.09506854e-31  2.64053092e-25  7.40341960e-09]
 [-1.98326492e-31 -2.64052704e-25 -7.40341960e-09]
 [-4.73562406e-31  2.64053092e-25  7.40341960e-09]
 [ 6.41534630e-31 -2.64053383e-25 -7.40341960e-09]
 [-8.65497596e-31  2.64052995e-25  7.40341960e-09]
 [ 1.37617957e-31 -2.64052704e-25 -7.40341960e-09]]
stress =  [ 3.95246422e-10  3.95246422e-10  2.89388031e-19 -1.40970042e-26
  1.50530899e-33  2.12414673e-26]
energy per atom =  -7.373982668920011
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0