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_PlummerTucker_2019_TiSiC__MO_751442731010_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 14:33:17      -88.455397        0.4237
BFGS:    1 14:33:17      -88.465304        0.2749
BFGS:    2 14:33:17      -88.469887        0.2513
BFGS:    3 14:33:17      -88.470978        0.2310
BFGS:    4 14:33:17      -88.477720        0.0599
BFGS:    5 14:33:17      -88.478261        0.0289
BFGS:    6 14:33:17      -88.478281        0.0029
BFGS:    7 14:33:17      -88.478282        0.0027
BFGS:    8 14:33:17      -88.478282        0.0025
BFGS:    9 14:33:17      -88.478283        0.0013
BFGS:   10 14:33:17      -88.478284        0.0009
BFGS:   11 14:33:17      -88.478284        0.0002
BFGS:   12 14:33:17      -88.478284        0.0000
BFGS:   13 14:33:17      -88.478284        0.0000
BFGS:   14 14:33:17      -88.478284        0.0000
BFGS:   15 14:33:17      -88.478284        0.0000
Minimization converged after 15 steps.
Maximum force component: 8.315514943291194e-10 eV/Angstrom
Maximum stress component: 1.023074004808809e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.40986706e-35 0.00000000e+00 1.87500000e-01]
 [0.00000000e+00 2.01027272e-35 6.87500000e-01]
 [0.00000000e+00 2.06532735e-35 8.12500000e-01]
 [1.14018417e-34 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, -1.1178960545322364e-20, 1.4789954526254016e-37], [-1.2606723427345032, 2.183548549313045, 4.5470890384344e-37], [1.5194179278370618e-36, 2.503357735117188e-36, 12.352015890023678]])
forces =  [[ 7.04434047e-31 -3.58857518e-31 -1.69020131e-10]
 [-8.28745938e-32  1.43543007e-31 -1.69020131e-10]
 [-1.65749188e-31  3.42556983e-47  1.69020131e-10]
 [ 7.87308641e-31 -2.15314511e-31  1.69020131e-10]
 [ 1.65749188e-31  2.87086014e-31  3.83734391e-10]
 [ 2.40336322e-30 -1.29188706e-30  3.83734391e-10]
 [ 1.32599350e-30 -5.74172028e-31 -3.83734391e-10]
 [-3.31498375e-31  1.43543007e-31 -3.83734391e-10]
 [ 4.14372969e-31 -4.30629021e-31 -8.31551494e-10]
 [-2.48623781e-31  1.43543007e-31 -8.31551494e-10]
 [-4.04013645e-31  2.69143138e-31  8.31551494e-10]
 [ 4.97247563e-31 -2.87086014e-31  8.31551494e-10]]
stress =  [-2.76711022e-11 -2.76711022e-11 -1.02307400e-10 -2.43735334e-33
  4.22161983e-33  1.01258483e-26]
energy per atom =  -7.373190331188044
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0