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_ErhartAlbe_2005_SiC__MO_903987585848_005
==== 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 16:48:17      -88.455451         0.423676
BFGS:    1 16:48:17      -88.465359         0.274898
BFGS:    2 16:48:17      -88.469942         0.251335
BFGS:    3 16:48:17      -88.471033         0.231044
BFGS:    4 16:48:17      -88.477775         0.059901
BFGS:    5 16:48:17      -88.478316         0.028874
BFGS:    6 16:48:17      -88.478337         0.002933
BFGS:    7 16:48:17      -88.478337         0.002691
BFGS:    8 16:48:17      -88.478338         0.002453
BFGS:    9 16:48:17      -88.478339         0.001341
BFGS:   10 16:48:17      -88.478339         0.000883
BFGS:   11 16:48:17      -88.478339         0.000188
BFGS:   12 16:48:17      -88.478339         0.000016
BFGS:   13 16:48:17      -88.478339         0.000001
BFGS:   14 16:48:17      -88.478339         0.000000
BFGS:   15 16:48:17      -88.478339         0.000000
Minimization converged after 15 steps.
Maximum force component: 8.30799151696482e-10 eV/Angstrom
Maximum stress component: 1.0225527728792419e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.95010224e-35 0.00000000e+00 1.87500000e-01]
 [3.33405019e-35 2.79251127e-35 6.87500000e-01]
 [0.00000000e+00 7.81480038e-36 8.12500000e-01]
 [8.30807537e-36 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([[2.521344330423286, 6.690120013237439e-21, 1.2161502531272895e-38], [-1.260672165211643, 2.1835482418344316, -1.7791733093980886e-37], [-6.098967717953521e-37, -9.895189128483533e-37, 12.35201415066208]])
forces =  [[ 8.35074188e-48  1.35485502e-47 -1.69124492e-10]
 [ 1.65749164e-31  1.35489900e-47 -1.69124492e-10]
 [ 9.32339049e-32 -1.61485860e-31  1.69124492e-10]
 [ 1.03593228e-31 -3.58857467e-32  1.69124492e-10]
 [-8.28745821e-32 -3.07311093e-47  3.83609020e-10]
 [-1.03593228e-31  3.58857467e-32  3.83609020e-10]
 [ 8.28745821e-32  3.07311093e-47 -3.83609020e-10]
 [-1.03593228e-31  1.79428734e-31 -3.83609020e-10]
 [ 2.07186455e-31 -7.17714934e-32 -8.30799152e-10]
 [-2.07186455e-31  7.17714934e-32 -8.30799152e-10]
 [-2.48623746e-31  1.43542987e-31  8.30799152e-10]
 [ 2.30494932e-31 -4.03714651e-32  8.30799152e-10]]
stress =  [-2.76744979e-11 -2.76744979e-11 -1.02255277e-10  1.70614782e-32
  4.22162101e-33  6.40808085e-27]
energy per atom =  -7.373194935708235
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0