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_2005_SiC__MO_903987585848_005
==== 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      -87.476627         2.502200
BFGS:    1 15:08:09      -87.646897         2.262153
BFGS:    2 15:08:09      -87.856718         1.936129
BFGS:    3 15:08:09      -88.034493         1.621187
BFGS:    4 15:08:09      -88.181315         1.317019
BFGS:    5 15:08:09      -88.298246         1.023326
BFGS:    6 15:08:09      -88.386320         0.739818
BFGS:    7 15:08:09      -88.446540         0.466210
BFGS:    8 15:08:09      -88.479883         0.202226
BFGS:    9 15:08:09      -88.487837         0.006343
BFGS:   10 15:08:09      -88.487845         0.000412
BFGS:   11 15:08:09      -88.487845         0.000315
BFGS:   12 15:08:09      -88.487845         0.000066
BFGS:   13 15:08:09      -88.487845         0.000017
BFGS:   14 15:08:09      -88.487845         0.000001
BFGS:   15 15:08:09      -88.487845         0.000000
BFGS:   16 15:08:09      -88.487845         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.2137940507408483e-10 eV/Angstrom
Maximum stress component: 1.762017986381265e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.78374827e-31 5.60430321e-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 2.75691259e-31 2.20298478e-01]
 [1.00000000e+00 9.80015064e-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([[2.555160737306837, 1.0442197616653158e-17, 4.983565997304481e-38], [-1.2775803686534184, 2.212834109260297, 5.5884776016598916e-33], [2.0380208644586054e-36, -2.6868492762797182e-30, 36.416899917850216]])
forces =  [[-2.23962935e-31 -7.75830364e-31 -2.21379405e-10]
 [-8.95851739e-31  3.87915182e-31  2.21379405e-10]
 [-1.80570116e-30  3.87915182e-31 -2.21379405e-10]
 [-2.23962935e-31 -1.63334366e-41  2.21379405e-10]
 [-5.59907337e-31  7.75830364e-31 -2.21379405e-10]
 [ 6.71888804e-31 -3.87915182e-31  2.21379405e-10]
 [-1.00783321e-30  9.69787955e-31 -2.21379405e-10]
 [ 7.83870271e-31 -1.16374555e-30  2.21379405e-10]
 [-1.11981467e-30  1.74561832e-30 -2.21379405e-10]
 [ 7.83870271e-31 -7.75830364e-31  2.21379405e-10]
 [-1.62373128e-30  1.55166073e-30 -2.21379405e-10]
 [ 1.34377761e-30 -1.93957591e-30  2.21379405e-10]]
stress =  [-1.76201799e-11 -1.76201799e-11  1.76968481e-22 -5.43846202e-34
 -9.41969251e-34 -6.25040953e-28]
energy per atom =  -7.373987068939555
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0