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 15:16:46      -38.085259         5.141390
BFGS:    1 15:16:46      -38.433627         1.186651
BFGS:    2 15:16:46      -38.462974         0.268553
BFGS:    3 15:16:46      -38.465939         0.173611
BFGS:    4 15:16:46      -38.467879         0.151564
BFGS:    5 15:16:46      -38.471911         0.181235
BFGS:    6 15:16:46      -38.472782         0.073110
BFGS:    7 15:16:46      -38.472936         0.043133
BFGS:    8 15:16:46      -38.472980         0.032815
BFGS:    9 15:16:46      -38.473087         0.044541
BFGS:   10 15:16:46      -38.473186         0.045806
BFGS:   11 15:16:46      -38.473240         0.021956
BFGS:   12 15:16:46      -38.473250         0.004109
BFGS:   13 15:16:46      -38.473250         0.000254
BFGS:   14 15:16:46      -38.473250         0.000020
BFGS:   15 15:16:46      -38.473250         0.000001
BFGS:   16 15:16:46      -38.473250         0.000000
BFGS:   17 15:16:46      -38.473250         0.000000
Minimization converged after 17 steps.
Maximum force component: 4.87860633816369e-10 eV/Angstrom
Maximum stress component: 1.8844800274371956e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[0.00000000e+00 5.00000000e-01 6.04830461e-01]
 [5.00000000e-01 1.22003698e-34 1.04830461e-01]
 [9.00427812e-36 5.00000000e-01 3.95169539e-01]
 [5.00000000e-01 0.00000000e+00 8.95169539e-01]
 [0.00000000e+00 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.15716651083428, 3.195532655332252e-38, 1.1494685540631411e-31], [-6.367603556988343e-37, 3.1571665108342803, -1.2085335813485104e-17], [1.8783547017016267e-34, -2.6155703327389907e-17, 6.870402119584681]])
forces =  [[ 2.91863113e-32 -1.85742749e-27  4.87860634e-10]
 [ 3.11320654e-31 -1.85730102e-27  4.87860634e-10]
 [-1.94575409e-32  1.85744695e-27 -4.87860634e-10]
 [ 1.94575409e-31  1.85731257e-27 -4.87860634e-10]
 [-7.78301635e-32  8.05984836e-50 -2.11710611e-32]
 [-1.75117868e-31 -5.83726226e-32  2.23444897e-49]]
stress =  [ 4.11212509e-12  4.11212509e-12 -1.88448003e-11 -2.79223482e-27
  4.54601435e-33  6.82496922e-49]
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