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_2005_SiC__MO_903987585848_005
==== 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 18:41:20      -38.085259        5.1414
BFGS:    1 18:41:20      -38.433627        1.1867
BFGS:    2 18:41:20      -38.462975        0.2686
BFGS:    3 18:41:20      -38.465940        0.1736
BFGS:    4 18:41:20      -38.467880        0.1516
BFGS:    5 18:41:20      -38.471912        0.1812
BFGS:    6 18:41:20      -38.472783        0.0731
BFGS:    7 18:41:20      -38.472936        0.0431
BFGS:    8 18:41:20      -38.472981        0.0328
BFGS:    9 18:41:20      -38.473087        0.0445
BFGS:   10 18:41:20      -38.473186        0.0458
BFGS:   11 18:41:20      -38.473241        0.0220
BFGS:   12 18:41:20      -38.473250        0.0041
BFGS:   13 18:41:20      -38.473251        0.0003
BFGS:   14 18:41:20      -38.473251        0.0000
BFGS:   15 18:41:20      -38.473251        0.0000
BFGS:   16 18:41:20      -38.473251        0.0000
BFGS:   17 18:41:20      -38.473251        0.0000
Minimization converged after 17 steps.
Maximum force component: 3.745029046368935e-10 eV/Angstrom
Maximum stress component: 1.4790017258792387e-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 0.00000000e+00 1.04830461e-01]
 [0.00000000e+00 5.00000000e-01 3.95169539e-01]
 [5.00000000e-01 0.00000000e+00 8.95169539e-01]
 [1.16034149e-37 1.52504623e-35 2.50000000e-01]
 [9.27515552e-37 1.22003698e-34 7.50000000e-01]]
cellpar =  Cell([[3.157166504972059, -7.71617573115288e-36, -4.226351062273626e-32], [-2.4964404351052106e-36, 3.1571665049720585, -5.696982858701326e-19], [6.873350693072869e-33, -1.2375731331018098e-18, 6.870402108107841]])
forces =  [[ 9.72877042e-33 -6.74596226e-29  3.74502905e-10]
 [ 3.74663631e-43 -6.74596226e-29  3.74502905e-10]
 [-9.72877042e-33  6.74596226e-29 -3.74502905e-10]
 [ 1.55660327e-31  6.74401650e-29 -3.74502905e-10]
 [-1.23084016e-67  1.55660327e-31 -2.80882941e-50]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 4.33783861e-12  4.33783861e-12 -1.47900173e-11  5.28317222e-27
  1.13650359e-33 -4.22978722e-49]
energy per atom =  -6.412208451212152
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0