element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:08:09      -87.476566         2.502210
BFGS:    1 15:08:09      -87.646838         2.262162
BFGS:    2 15:08:09      -87.856659         1.936138
BFGS:    3 15:08:09      -88.034435         1.621195
BFGS:    4 15:08:09      -88.181258         1.317027
BFGS:    5 15:08:09      -88.298190         1.023335
BFGS:    6 15:08:09      -88.386265         0.739826
BFGS:    7 15:08:09      -88.446486         0.466218
BFGS:    8 15:08:09      -88.479829         0.202234
BFGS:    9 15:08:09      -88.487784         0.006343
BFGS:   10 15:08:09      -88.487792         0.000412
BFGS:   11 15:08:09      -88.487792         0.000315
BFGS:   12 15:08:09      -88.487792         0.000066
BFGS:   13 15:08:09      -88.487792         0.000017
BFGS:   14 15:08:09      -88.487792         0.000001
BFGS:   15 15:08:09      -88.487792         0.000000
BFGS:   16 15:08:09      -88.487792         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.215230004287589e-10 eV/Angstrom
Maximum stress component: 1.763222881193891e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.77518858e-31 5.63939793e-31 4.46368188e-01]
 [0.00000000e+00 1.03900403e-16 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 2.20298478e-01]
 [1.14897458e-17 2.77317600e-31 2.20298478e-01]
 [1.00000000e+00 9.85065281e-31 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 4.46368188e-01]]
cellpar =  Cell([[2.555161093271494, 1.3811412184534757e-18, 5.18681836341533e-38], [-1.277580546635747, 2.212834417534734, 5.588483335557538e-33], [4.072648483153453e-36, -2.6868485808952096e-30, 36.41689991785045]])
forces =  [[-3.35944449e-31  7.75830472e-31 -2.21523000e-10]
 [-5.59907415e-32  2.90936427e-31  2.21523000e-10]
 [-4.05932876e-31  5.09138747e-31 -2.21523000e-10]
 [ 4.47925932e-31  3.87915236e-31  2.21523000e-10]
 [-2.23962966e-31  3.87915236e-31 -2.21523000e-10]
 [ 2.51958337e-31  4.84894045e-31  2.21523000e-10]
 [ 2.93951393e-31 -4.84894045e-31 -2.21523000e-10]
 [-1.17580557e-30  2.90936427e-31  2.21523000e-10]
 [ 1.67972224e-31 -4.84894045e-31 -2.21523000e-10]
 [-8.95851864e-31 -1.63440265e-41  2.21523000e-10]
 [ 4.47925932e-31 -3.87915236e-31 -2.21523000e-10]
 [-6.71888898e-31 -1.63440264e-41  2.21523000e-10]]
stress =  [-1.76322288e-11 -1.76322288e-11  1.77145191e-22 -6.52615350e-33
 -1.13036294e-32  1.30394463e-26]
energy per atom =  -7.373982668920008
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0