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_1990_SiC__MO_444207127575_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 14:33:17      -89.639822        0.4997
BFGS:    1 14:33:17      -89.650086        0.3273
BFGS:    2 14:33:17      -89.656933        0.3172
BFGS:    3 14:33:17      -89.660682        0.2688
BFGS:    4 14:33:17      -89.664588        0.2317
BFGS:    5 14:33:17      -89.672653        0.2119
BFGS:    6 14:33:17      -89.675267        0.0884
BFGS:    7 14:33:17      -89.675579        0.0275
BFGS:    8 14:33:17      -89.675614        0.0236
BFGS:    9 14:33:17      -89.675664        0.0185
BFGS:   10 14:33:17      -89.675749        0.0288
BFGS:   11 14:33:17      -89.675827        0.0240
BFGS:   12 14:33:17      -89.675858        0.0090
BFGS:   13 14:33:17      -89.675862        0.0012
BFGS:   14 14:33:17      -89.675862        0.0001
BFGS:   15 14:33:17      -89.675862        0.0000
BFGS:   16 14:33:17      -89.675862        0.0000
BFGS:   17 14:33:17      -89.675862        0.0000
Minimization converged after 17 steps.
Maximum force component: 2.7957054065438223e-09 eV/Angstrom
Maximum stress component: 2.3188026456360424e-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 3.81174874e-35 1.87500000e-01]
 [0.00000000e+00 0.00000000e+00 6.87500000e-01]
 [2.25587717e-35 0.00000000e+00 8.12500000e-01]
 [0.00000000e+00 5.98921341e-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([[2.514679093729172, 9.534946513348378e-19, 2.5528554791912716e-35], [-1.257339546864586, 2.1777759775350924, 5.1203986175397e-35], [1.299254830449562e-34, 3.568066900347612e-34, 12.319361293384546]])
forces =  [[-1.65311002e-31 -2.86327055e-31  1.18165392e-09]
 [-4.95933007e-31  1.43163527e-31  1.18165392e-09]
 [-3.51285880e-31  3.57908819e-32 -1.18165392e-09]
 [-7.23235635e-32  2.68431614e-31 -1.18165392e-09]
 [-1.23983252e-30  1.28847175e-30 -2.33352096e-10]
 [ 8.67882761e-31 -9.30562928e-31 -2.33352096e-10]
 [ 7.43899510e-31 -4.29490582e-31  2.33352096e-10]
 [-4.54605256e-31  5.01072346e-31  2.33352096e-10]
 [-8.26555011e-32  2.86327055e-31 -2.79570541e-09]
 [-1.65311002e-31 -8.09723119e-44 -2.79570541e-09]
 [-2.89294254e-31  3.57908819e-31  2.79570541e-09]
 [-2.06638753e-31 -2.14745291e-31  2.79570541e-09]]
stress =  [-2.31880265e-10 -2.31880265e-10  2.05898201e-11  2.20526255e-32
  4.24402975e-33  1.26441114e-25]
energy per atom =  -7.47298851045642
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0