element(s):
['C', 'Si']
AFLOW prototype label:
A2B_tP6_131_i_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1802', '2.1648324', '0.59917023']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.         0.5        0.59917023]
 [0.         0.         0.25      ]]
spacegroup =  131
cell =  [[3.1802, 0, 0], [0, 3.1802, 0], [0, 0, 6.8846]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:26:49      -38.085259         5.141390
BFGS:    1 17:26:49      -38.433627         1.186651
BFGS:    2 17:26:49      -38.462974         0.268553
BFGS:    3 17:26:50      -38.465939         0.173611
BFGS:    4 17:26:50      -38.467879         0.151564
BFGS:    5 17:26:50      -38.471911         0.181235
BFGS:    6 17:26:50      -38.472782         0.073110
BFGS:    7 17:26:50      -38.472936         0.043133
BFGS:    8 17:26:50      -38.472980         0.032815
BFGS:    9 17:26:50      -38.473087         0.044541
BFGS:   10 17:26:50      -38.473186         0.045806
BFGS:   11 17:26:50      -38.473240         0.021956
BFGS:   12 17:26:50      -38.473250         0.004109
BFGS:   13 17:26:50      -38.473250         0.000254
BFGS:   14 17:26:50      -38.473250         0.000020
BFGS:   15 17:26:50      -38.473250         0.000001
BFGS:   16 17:26:50      -38.473250         0.000000
BFGS:   17 17:26:50      -38.473250         0.000000
Minimization converged after 17 steps.
Maximum force component: 4.877444111057157e-10 eV/Angstrom
Maximum stress component: 1.883911315056418e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[9.17179566e-35 5.00000000e-01 6.04830461e-01]
 [5.00000000e-01 0.00000000e+00 1.04830461e-01]
 [0.00000000e+00 5.00000000e-01 3.95169539e-01]
 [5.00000000e-01 9.76029582e-34 8.95169539e-01]
 [0.00000000e+00 1.22003698e-34 2.50000000e-01]
 [3.21437460e-36 4.88014791e-34 7.50000000e-01]]
cellpar =  Cell([[3.1571665108342803, -5.373139256873435e-38, -1.4329702174971563e-32], [1.1728508601413653e-36, 3.1571665108342812, 4.7029978029395905e-18], [-6.849562585967333e-33, 1.0178941853283541e-17, 6.8704021195846865]])
forces =  [[-4.86264968e-43  7.22780321e-28  4.87744411e-10]
 [-4.86264968e-43  7.22663576e-28  4.87744411e-10]
 [ 4.86264968e-43 -7.22780321e-28 -4.87744411e-10]
 [ 1.94575409e-32 -7.22661752e-28 -4.87744411e-10]
 [-7.78301635e-32 -3.89150817e-32  6.77473954e-31]
 [ 6.75419018e-64 -1.00372116e-48 -6.77473954e-31]]
stress =  [ 4.11245297e-12  4.11245297e-12 -1.88391132e-11 -3.15976255e-27
  9.30427129e-44  1.57887037e-59]
energy per atom =  -6.412208364272256
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0