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_Tersoff_1994_SiC__MO_794973922560_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 16:49:21      -89.639822         0.499658
BFGS:    1 16:49:21      -89.650086         0.327316
BFGS:    2 16:49:21      -89.656933         0.317220
BFGS:    3 16:49:21      -89.660682         0.268822
BFGS:    4 16:49:21      -89.664588         0.231718
BFGS:    5 16:49:21      -89.672653         0.211926
BFGS:    6 16:49:21      -89.675267         0.088388
BFGS:    7 16:49:21      -89.675579         0.027465
BFGS:    8 16:49:21      -89.675614         0.023583
BFGS:    9 16:49:21      -89.675664         0.018533
BFGS:   10 16:49:21      -89.675749         0.028794
BFGS:   11 16:49:21      -89.675827         0.023992
BFGS:   12 16:49:21      -89.675858         0.009035
BFGS:   13 16:49:21      -89.675862         0.001163
BFGS:   14 16:49:21      -89.675862         0.000065
BFGS:   15 16:49:21      -89.675862         0.000007
BFGS:   16 16:49:21      -89.675862         0.000000
BFGS:   17 16:49:21      -89.675862         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.795725143577011e-09 eV/Angstrom
Maximum stress component: 2.3188145220784316e-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 0.00000000e+00 1.87500000e-01]
 [0.00000000e+00 1.24604888e-35 6.87500000e-01]
 [8.15131577e-36 3.35941611e-35 8.12500000e-01]
 [2.80125355e-35 1.50520803e-35 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([[2.5146790937291725, 1.0508427547397582e-18, -1.9942339356563042e-35], [-1.2573395468645863, 2.177775977535092, -3.9294731606839266e-35], [-1.0005703107042536e-34, -2.8212142274685467e-34, 12.319361293384546]])
forces =  [[ 7.54231447e-31 -1.61058968e-31  1.18167754e-09]
 [-6.19916258e-31  7.15817637e-32  1.18167754e-09]
 [ 1.65311002e-31  2.86327055e-31 -1.18167754e-09]
 [ 4.13277505e-31 -4.29490582e-31 -1.18167754e-09]
 [ 8.26555011e-32 -1.43163527e-31 -2.33355849e-10]
 [-2.37634566e-31  4.11595141e-31 -2.33355849e-10]
 [-8.26555011e-32  1.43163527e-31  2.33355849e-10]
 [ 2.27302628e-31 -3.93699700e-31  2.33355849e-10]
 [-6.61244009e-31  6.40236561e-44 -2.79572514e-09]
 [-1.03319376e-32 -5.54758669e-31 -2.79572514e-09]
 [ 4.95933007e-31  2.86327055e-31  2.79572514e-09]
 [-4.13277505e-31  4.29490582e-31  2.79572514e-09]]
stress =  [-2.31881452e-10 -2.31881452e-10  2.05894416e-11  2.45029172e-33
  4.24402975e-33  6.18803671e-27]
energy per atom =  -7.4729885104564175
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0