element(s):
['C', 'Si']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7882', '0.41797522']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.41797522 0.41797522 0.41797522]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.7882, 0, 0], [0, 4.7882, 0], [0, 0, 4.7882]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:02:32      -66.965925        6.5766
BFGS:    1 15:02:32      -68.286493        0.5670
BFGS:    2 15:02:32      -68.312600        0.5134
BFGS:    3 15:02:32      -68.340127        0.4987
BFGS:    4 15:02:32      -68.370901        0.5473
BFGS:    5 15:02:32      -68.409879        0.6524
BFGS:    6 15:02:32      -68.441356        0.4940
BFGS:    7 15:02:32      -68.454202        0.1453
BFGS:    8 15:02:32      -68.455325        0.0189
BFGS:    9 15:02:32      -68.455382        0.0007
BFGS:   10 15:02:32      -68.455382        0.0001
BFGS:   11 15:02:32      -68.455382        0.0000
BFGS:   12 15:02:32      -68.455382        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.9639252854183886e-09 eV/Angstrom
Maximum stress component: 1.2355124362871548e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.10359536e-01 4.10359536e-01 4.10359536e-01]
 [8.96404635e-02 5.89640464e-01 9.10359536e-01]
 [5.89640464e-01 9.10359536e-01 8.96404635e-02]
 [9.10359536e-01 8.96404635e-02 5.89640464e-01]
 [5.89640464e-01 5.89640464e-01 5.89640464e-01]
 [9.10359536e-01 4.10359536e-01 8.96404635e-02]
 [4.10359536e-01 8.96404635e-02 9.10359536e-01]
 [8.96404635e-02 9.10359536e-01 4.10359536e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.31313628e-53 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.71607876168303, 1.0151320870449687e-36, 0.0], [-8.1914638026259e-37, 4.71607876168303, 0.0], [0.0, 0.0, 4.71607876168303]])
forces =  [[-1.96392529e-09 -1.96392529e-09 -1.96392529e-09]
 [ 1.96392529e-09  1.96392529e-09 -1.96392529e-09]
 [ 1.96392529e-09 -1.96392529e-09  1.96392529e-09]
 [-1.96392529e-09  1.96392529e-09  1.96392529e-09]
 [ 1.96392529e-09  1.96392529e-09  1.96392529e-09]
 [-1.96392529e-09 -1.96392529e-09  1.96392529e-09]
 [-1.96392529e-09  1.96392529e-09 -1.96392529e-09]
 [ 1.96392529e-09 -1.96392529e-09 -1.96392529e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [1.23551244e-10 1.23551244e-10 1.23551244e-10 0.00000000e+00
 0.00000000e+00 1.47783890e-33]
energy per atom =  -5.7046151990623555
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0