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_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== 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 16:01:26      -87.476625        2.5022
BFGS:    1 16:01:26      -87.646896        2.2622
BFGS:    2 16:01:26      -87.856717        1.9361
BFGS:    3 16:01:26      -88.034492        1.6212
BFGS:    4 16:01:26      -88.181314        1.3170
BFGS:    5 16:01:26      -88.298245        1.0233
BFGS:    6 16:01:26      -88.386319        0.7398
BFGS:    7 16:01:26      -88.446539        0.4662
BFGS:    8 16:01:26      -88.479882        0.2022
BFGS:    9 16:01:26      -88.487836        0.0063
BFGS:   10 16:01:26      -88.487844        0.0004
BFGS:   11 16:01:26      -88.487844        0.0003
BFGS:   12 16:01:26      -88.487844        0.0001
BFGS:   13 16:01:26      -88.487844        0.0000
BFGS:   14 16:01:26      -88.487844        0.0000
BFGS:   15 16:01:26      -88.487844        0.0000
BFGS:   16 16:01:26      -88.487844        0.0000
Minimization converged after 16 steps.
Maximum force component: 2.213774110935282e-10 eV/Angstrom
Maximum stress component: 1.762116347098077e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.73763272e-31 5.54524159e-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 2.75605602e-31 2.20298478e-01]
 [1.00000000e+00 9.77618496e-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([[2.5551607403869565, -9.362587434097089e-18, 5.010408236325094e-38], [-1.2775803701934783, 2.2128341119277595, 5.588459686117176e-33], [-3.412149598337447e-37, -2.6868485523770307e-30, 36.416899917850216]])
forces =  [[ 5.59907337e-31 -5.81872774e-31 -2.21377411e-10]
 [-4.47925870e-31  1.93957591e-31  2.21377411e-10]
 [ 6.64889963e-31 -4.12159881e-31 -2.21377411e-10]
 [-7.83870272e-31  1.93957591e-31  2.21377411e-10]
 [ 6.71888805e-31 -3.87915182e-31 -2.21377411e-10]
 [-7.27879539e-31  3.87915182e-31  2.21377411e-10]
 [-5.59907337e-31  1.93957591e-31 -2.21377411e-10]
 [ 4.84669789e-31 -5.06108090e-31  2.21377411e-10]
 [ 1.39976834e-31 -4.84893978e-32 -2.21377411e-10]
 [ 4.47925870e-31 -3.87915182e-31  2.21377411e-10]
 [ 1.11981467e-31  1.63332838e-41 -2.21377411e-10]
 [ 2.23962935e-31 -3.87915182e-31  2.21377411e-10]]
stress =  [-1.76211635e-11 -1.76211635e-11  1.76968480e-22 -1.30009413e-42
 -1.66583531e-49  2.82378462e-27]
energy per atom =  -7.373986988501173
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0