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 14:33:17      -88.455451        0.4237
BFGS:    1 14:33:17      -88.465359        0.2749
BFGS:    2 14:33:17      -88.469942        0.2513
BFGS:    3 14:33:17      -88.471033        0.2310
BFGS:    4 14:33:17      -88.477775        0.0599
BFGS:    5 14:33:17      -88.478316        0.0289
BFGS:    6 14:33:17      -88.478337        0.0029
BFGS:    7 14:33:17      -88.478337        0.0027
BFGS:    8 14:33:17      -88.478338        0.0025
BFGS:    9 14:33:17      -88.478339        0.0013
BFGS:   10 14:33:17      -88.478339        0.0009
BFGS:   11 14:33:17      -88.478339        0.0002
BFGS:   12 14:33:17      -88.478339        0.0000
BFGS:   13 14:33:17      -88.478339        0.0000
BFGS:   14 14:33:17      -88.478339        0.0000
BFGS:   15 14:33:17      -88.478339        0.0000
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 =  [[1.43410196e-35 2.01244174e-35 1.87500000e-01]
 [0.00000000e+00 1.44361172e-35 6.87500000e-01]
 [0.00000000e+00 1.15186668e-35 8.12500000e-01]
 [0.00000000e+00 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, 8.318355683468089e-21, 4.8075164617530654e-37], [-1.260672165211643, 2.1835482418344316, 9.614184647860722e-37], [3.165365443066837e-36, 5.1788396378129226e-36, 12.35201415066208]])
forces =  [[-4.33403667e-47 -7.09089719e-47 -1.69124492e-10]
 [ 1.65749164e-31 -7.09084250e-47 -1.69124492e-10]
 [ 9.32339049e-32 -1.61485860e-31  1.69124492e-10]
 [ 1.03593228e-31 -3.58857467e-32  1.69124492e-10]
 [ 9.83048370e-47  1.60836085e-46  3.83609020e-10]
 [-1.45030519e-31  1.07657240e-31  3.83609020e-10]
 [-9.83048370e-47 -1.60836085e-46 -3.83609020e-10]
 [-6.21559366e-32  1.07657240e-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  9.74941612e-33
  1.89096422e-44  5.26403971e-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