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 15:25:52      -89.639822         0.499658
BFGS:    1 15:25:52      -89.650086         0.327316
BFGS:    2 15:25:52      -89.656933         0.317220
BFGS:    3 15:25:52      -89.660682         0.268822
BFGS:    4 15:25:52      -89.664588         0.231718
BFGS:    5 15:25:52      -89.672653         0.211926
BFGS:    6 15:25:52      -89.675267         0.088388
BFGS:    7 15:25:52      -89.675579         0.027465
BFGS:    8 15:25:52      -89.675614         0.023583
BFGS:    9 15:25:52      -89.675664         0.018533
BFGS:   10 15:25:52      -89.675749         0.028794
BFGS:   11 15:25:52      -89.675827         0.023992
BFGS:   12 15:25:52      -89.675858         0.009035
BFGS:   13 15:25:52      -89.675862         0.001163
BFGS:   14 15:25:52      -89.675862         0.000065
BFGS:   15 15:25:52      -89.675862         0.000007
BFGS:   16 15:25:52      -89.675862         0.000000
BFGS:   17 15:25:52      -89.675862         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.7957508471915943e-09 eV/Angstrom
Maximum stress component: 2.3188642312595934e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.19504307e-35 6.37093449e-36 1.87500000e-01]
 [0.00000000e+00 0.00000000e+00 6.87500000e-01]
 [0.00000000e+00 0.00000000e+00 8.12500000e-01]
 [0.00000000e+00 0.00000000e+00 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([[2.514679093729171, 5.562981271471096e-19, -7.884267572415769e-36], [-1.2573395468645856, 2.177775977535091, -1.4472401455089847e-35], [-4.0265918118195567e-35, -1.247874414926568e-34, 12.31936129338455]])
forces =  [[-6.61244009e-31  8.58981165e-31  1.18166677e-09]
 [ 4.95933007e-31 -1.43163527e-31  1.18166677e-09]
 [ 4.95933007e-31 -5.72654110e-31 -1.18166677e-09]
 [-4.33941381e-31  1.78954409e-31 -1.18166677e-09]
 [-7.85227260e-31  5.01072346e-31 -2.33340281e-10]
 [-1.23983252e-30 -1.43163527e-31 -2.33340281e-10]
 [-5.78588508e-31  7.15817637e-31  2.33340281e-10]
 [ 8.26555011e-31 -2.86327055e-31  2.33340281e-10]
 [ 9.14877161e-45 -5.72654110e-31 -2.79575085e-09]
 [-4.95933007e-31 -2.86327055e-31 -2.79575085e-09]
 [ 1.09615401e-31  3.82794666e-31  2.79575085e-09]
 [ 4.95933007e-31  2.86327055e-31  2.79575085e-09]]
stress =  [-2.31886423e-10 -2.31886423e-10  2.05879493e-11  1.34312899e-43
  4.65873459e-44  1.72066946e-26]
energy per atom =  -7.472988510456408
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0