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 17:47:44      -88.455397         0.423676
BFGS:    1 17:47:44      -88.465304         0.274892
BFGS:    2 17:47:44      -88.469887         0.251329
BFGS:    3 17:47:44      -88.470978         0.231039
BFGS:    4 17:47:44      -88.477720         0.059895
BFGS:    5 17:47:44      -88.478261         0.028871
BFGS:    6 17:47:44      -88.478281         0.002933
BFGS:    7 17:47:44      -88.478282         0.002691
BFGS:    8 17:47:44      -88.478282         0.002453
BFGS:    9 17:47:44      -88.478283         0.001341
BFGS:   10 17:47:44      -88.478284         0.000884
BFGS:   11 17:47:44      -88.478284         0.000188
BFGS:   12 17:47:44      -88.478284         0.000016
BFGS:   13 17:47:44      -88.478284         0.000001
BFGS:   14 17:47:44      -88.478284         0.000000
BFGS:   15 17:47:44      -88.478284         0.000000
Minimization converged after 15 steps.
Maximum force component: 8.314892108174375e-10 eV/Angstrom
Maximum stress component: 1.0231396181592753e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 2.07192550e-35 1.87500000e-01]
 [9.35105852e-36 0.00000000e+00 6.87500000e-01]
 [4.36977398e-36 0.00000000e+00 8.12500000e-01]
 [0.00000000e+00 3.23864322e-36 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([[2.5213446854690034, 2.809389980613425e-20, 1.100554158795896e-37], [-1.2606723427345017, 2.1835485493130427, 2.246075483735552e-37], [6.50688724546822e-37, 2.206729925917383e-36, 12.352015890023672]])
forces =  [[ 1.65749188e-31 -3.01973642e-47 -1.69037964e-10]
 [-8.90470821e-48 -3.01992110e-47 -1.69037964e-10]
 [-2.07186484e-32  3.58857518e-32  1.69037964e-10]
 [ 8.28745938e-32 -1.43543007e-31  1.69037964e-10]
 [ 4.18056347e-47 -1.14834406e-30  3.83872293e-10]
 [ 1.32599350e-30 -1.14834406e-30  3.83872293e-10]
 [ 6.62996750e-31 -6.85727119e-47 -3.83872293e-10]
 [ 1.32599350e-30  1.14834406e-30 -3.83872293e-10]
 [-4.91977409e-47  2.87086014e-31 -8.31489211e-10]
 [ 8.28745938e-32  1.43543007e-31 -8.31489211e-10]
 [-1.24311891e-31 -7.17715036e-32  8.31489211e-10]
 [-1.86467836e-31  3.58857518e-32  8.31489211e-10]]
stress =  [-2.76847543e-11 -2.76847543e-11 -1.02313962e-10  1.21867667e-32
 -1.26648595e-32  6.70774179e-27]
energy per atom =  -7.373190331188017
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0