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_Tersoff_1989_SiC__MO_171585019474_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 16:01:27      -88.276892        1.6107
BFGS:    1 16:01:27      -88.347915        1.4761
BFGS:    2 16:01:27      -88.481180        1.1907
BFGS:    3 16:01:27      -88.586356        0.9144
BFGS:    4 16:01:27      -88.664353        0.6470
BFGS:    5 16:01:27      -88.716053        0.3884
BFGS:    6 16:01:27      -88.742317        0.1383
BFGS:    7 16:01:27      -88.746227        0.0036
BFGS:    8 16:01:27      -88.746230        0.0001
BFGS:    9 16:01:27      -88.746230        0.0000
BFGS:   10 16:01:27      -88.746230        0.0000
BFGS:   11 16:01:27      -88.746230        0.0000
BFGS:   12 16:01:27      -88.746230        0.0000
Minimization converged after 12 steps.
Maximum force component: 8.431852762800083e-09 eV/Angstrom
Maximum stress component: 3.695237996527819e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.83339447e-31 5.61200693e-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 2.74150515e-31 2.20298478e-01]
 [1.00000000e+00 9.80871033e-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([[2.529678469389467, 1.2443113319596745e-18, 9.67098482258924e-38], [-1.2648392346947335, 2.190765817897814, 3.960359122273901e-33], [1.4024856219126225e-36, -2.6868470154735653e-30, 36.41689983385308]])
forces =  [[ 5.54323458e-31 -1.92023278e-31 -8.43185276e-09]
 [-3.88026420e-31 -2.88034918e-31  8.43185276e-09]
 [ 6.09755803e-31 -4.80058196e-31 -8.43185276e-09]
 [-2.21729383e-31 -3.84046558e-31  8.43185276e-09]
 [ 4.43458766e-31 -3.84046556e-31 -8.43185276e-09]
 [-2.77161729e-31 -6.22103983e-40  8.43185276e-09]
 [ 5.82039630e-31 -3.84046556e-31 -8.43185276e-09]
 [-3.88026420e-31 -6.22103983e-40  8.43185276e-09]
 [ 8.31485186e-31 -2.88034917e-31 -8.43185276e-09]
 [-4.43458766e-31 -6.22103983e-40  8.43185276e-09]
 [ 7.76052841e-31 -3.84046556e-31 -8.43185276e-09]
 [-2.21729383e-31 -3.84046558e-31  8.43185276e-09]]
stress =  [ 3.69523800e-10  3.69523800e-10  1.06837590e-19 -1.31837889e-32
 -2.28349923e-32  9.15857465e-26]
energy per atom =  -7.395519132241431
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0