element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:23:32      -29.158876        2.5022
BFGS:    1 15:23:32      -29.312331        1.7994
BFGS:    2 15:23:32      -29.446526        0.9002
BFGS:    3 15:23:32      -29.495397        0.0916
BFGS:    4 15:23:32      -29.495946        0.0054
BFGS:    5 15:23:32      -29.495948        0.0000
BFGS:    6 15:23:32      -29.495948        0.0000
BFGS:    7 15:23:32      -29.495948        0.0000
Minimization converged after 7 steps.
Maximum force component: 8.398610061067687e-31 eV/Angstrom
Maximum stress component: 3.374542123715173e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[1.47954943e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 8.54417516e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.5551607403988723, -1.2321907490213664e-17, -1.0567967421003387e-45], [-1.2775803701994362, 2.2128341119380783, 9.593722458478486e-37], [6.517861630120859e-39, 1.6385235627972827e-36, 8.333199999999998]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.71888805e-31  5.81872774e-31  2.52270420e-67]
 [-8.39861006e-31  5.81872774e-31  2.52270420e-67]]
stress =  [-3.37454212e-15 -3.37454212e-15  3.30665317e-31  2.67374378e-33
  1.54368669e-33 -1.11969763e-31]
energy per atom =  -7.373986988501169
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0