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_PlummerTucker_2019_TiSiC__MO_751442731010_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 15:02:13      -43.737064         2.505413
BFGS:    1 15:02:13      -43.899271         2.030429
BFGS:    2 15:02:13      -44.070682         1.405028
BFGS:    3 15:02:13      -44.181686         0.821878
BFGS:    4 15:02:13      -44.236390         0.278663
BFGS:    5 15:02:13      -44.243874         0.014778
BFGS:    6 15:02:13      -44.243896         0.000288
BFGS:    7 15:02:13      -44.243896         0.000088
BFGS:    8 15:02:13      -44.243896         0.000065
BFGS:    9 15:02:13      -44.243896         0.000006
BFGS:   10 15:02:13      -44.243896         0.000001
BFGS:   11 15:02:13      -44.243896         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.403420443372213e-09 eV/Angstrom
Maximum stress component: 3.9524449198235743e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 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 3.68354027e-11]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.5551610934662063, -3.2986243763845205e-17, -8.526630128713203e-24], [-1.2775805467331032, 2.2128344177033585, -2.70460321351545e-18], [-4.3115867789946485e-23, 4.4408908534576207e-16, 12.451199914505997]])
forces =  [[ 6.25255893e-31  2.64052540e-25  7.40342044e-09]
 [-3.10307972e-31 -2.64053316e-25 -7.40342044e-09]
 [ 7.58233904e-31  2.64052540e-25  7.40342044e-09]
 [-3.66298714e-31 -2.64053219e-25 -7.40342044e-09]
 [ 6.46252421e-31  2.64052540e-25  7.40342044e-09]
 [-2.82312601e-31 -2.64053316e-25 -7.40342044e-09]]
stress =  [ 3.95244492e-10  3.95244492e-10  2.89388313e-19 -1.40969369e-26
 -1.24974088e-33 -1.30915663e-25]
energy per atom =  -7.373982668920014
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0