element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:54:49      -58.318988         2.503142
BFGS:    1 15:54:49      -58.484677         2.146115
BFGS:    2 15:54:49      -58.674346         1.665015
BFGS:    3 15:54:49      -58.816728         1.220141
BFGS:    4 15:54:49      -58.911694         0.793665
BFGS:    5 15:54:49      -58.974146         0.373318
BFGS:    6 15:54:49      -58.991842         0.050221
BFGS:    7 15:54:49      -58.991896         0.000952
BFGS:    8 15:54:49      -58.991896         0.000176
BFGS:    9 15:54:49      -58.991896         0.000154
BFGS:   10 15:54:49      -58.991896         0.000054
BFGS:   11 15:54:49      -58.991896         0.000015
BFGS:   12 15:54:49      -58.991896         0.000000
BFGS:   13 15:54:50      -58.991896         0.000000
BFGS:   14 15:54:50      -58.991896         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.9836940904082176e-10 eV/Angstrom
Maximum stress component: 9.384827775044707e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.16666667e-01 2.49545170e-01]
 [2.15504789e-34 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [3.90769220e-35 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333333e-02 7.50454830e-01]]
cellpar =  Cell([[2.5551607404414045, -8.963127671484032e-38, 0.0], [-3.1030298903494615e-37, 4.425668223817637, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[ 1.25979151e-31 -2.98369409e-10  0.00000000e+00]
 [ 1.10231757e-31  2.98369409e-10  0.00000000e+00]
 [ 2.09199865e-47 -2.98369409e-10  0.00000000e+00]
 [-7.87369693e-32  2.98369409e-10  0.00000000e+00]
 [ 9.44843632e-32 -2.98369409e-10  0.00000000e+00]
 [ 1.25979151e-31  2.98369409e-10  0.00000000e+00]
 [ 9.44843632e-32 -2.98369409e-10  0.00000000e+00]
 [-6.29895755e-32  2.98369409e-10  0.00000000e+00]]
stress =  [ 9.38482778e-11 -7.47906251e-11  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -2.72498044e-34]
energy per atom =  -7.373986988501121
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0