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_2005_SiC__MO_903987585848_005
==== 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 15:30:25      -29.158876         2.502201
BFGS:    1 15:30:25      -29.312331         1.799418
BFGS:    2 15:30:25      -29.446527         0.900235
BFGS:    3 15:30:25      -29.495397         0.091648
BFGS:    4 15:30:25      -29.495946         0.005382
BFGS:    5 15:30:25      -29.495948         0.000035
BFGS:    6 15:30:25      -29.495948         0.000000
BFGS:    7 15:30:25      -29.495948         0.000000
Minimization converged after 7 steps.
Maximum force component: 6.718888040754861e-31 eV/Angstrom
Maximum stress component: 4.488550453690328e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.06914295e-39 2.50000000e-01]
 [7.07433316e-36 7.46853156e-36 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.5551607373187513, 3.8279600438837015e-18, 1.0357051025478612e-41], [-1.2775803686593756, 2.212834109270615, 8.561950640954625e-40], [-3.686072696121672e-37, -1.296684497300614e-36, 8.333199999999998]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.35944402e-31  5.81872773e-31  2.27863029e-70]
 [-6.71888804e-31 -5.81872773e-31 -2.29224741e-70]]
stress =  [-4.48855045e-15 -4.48855045e-15  8.04849582e-53 -8.91247929e-34
  4.63106009e-33 -1.57112693e-31]
energy per atom =  -7.3739870689395595
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0