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_Tersoff_1990_SiC__MO_444207127575_000
==== 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 16:21:16      -69.652960        10.547897
BFGS:    1 16:21:16      -72.471364         4.004700
BFGS:    2 16:21:16      -73.255611         1.592207
BFGS:    3 16:21:16      -73.574888         1.601745
BFGS:    4 16:21:16      -73.761668         1.519941
BFGS:    5 16:21:16      -73.922729         1.404345
BFGS:    6 16:21:16      -74.077557         1.304346
BFGS:    7 16:21:16      -74.228446         1.379721
BFGS:    8 16:21:16      -74.373677         1.371834
BFGS:    9 16:21:16      -74.509661         1.287295
BFGS:   10 16:21:16      -74.631201         1.124901
BFGS:   11 16:21:16      -74.731285         0.877090
BFGS:   12 16:21:16      -74.800575         0.526670
BFGS:   13 16:21:16      -74.825464         0.050245
BFGS:   14 16:21:16      -74.825939         0.037450
BFGS:   15 16:21:16      -74.826103         0.002883
BFGS:   16 16:21:17      -74.826103         0.000148
BFGS:   17 16:21:17      -74.826103         0.000001
BFGS:   18 16:21:17      -74.826103         0.000000
BFGS:   19 16:21:17      -74.826103         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.0424263940470953e-10 eV/Angstrom
Maximum stress component: 2.609501856315268e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.03933828e-01 4.03933828e-01 4.03933828e-01]
 [9.60661725e-02 5.96066172e-01 9.03933828e-01]
 [5.96066172e-01 9.03933828e-01 9.60661725e-02]
 [9.03933828e-01 9.60661725e-02 5.96066172e-01]
 [5.96066172e-01 5.96066172e-01 5.96066172e-01]
 [9.03933828e-01 4.03933828e-01 9.60661725e-02]
 [4.03933828e-01 9.60661725e-02 9.03933828e-01]
 [9.60661725e-02 9.03933828e-01 4.03933828e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 3.66134918e-53 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.562465537596326, -2.2263254698755853e-36, 0.0], [-3.74470226778376e-37, 4.562465537596326, 0.0], [0.0, 0.0, 4.562465537596326]])
forces =  [[-1.04242639e-10 -1.04242639e-10 -1.04242639e-10]
 [ 1.04242639e-10  1.04242639e-10 -1.04242639e-10]
 [ 1.04242639e-10 -1.04242639e-10  1.04242639e-10]
 [-1.04242639e-10  1.04242639e-10  1.04242639e-10]
 [ 1.04242639e-10  1.04242639e-10  1.04242639e-10]
 [-1.04242639e-10 -1.04242639e-10  1.04242639e-10]
 [-1.04242639e-10  1.04242639e-10 -1.04242639e-10]
 [ 1.04242639e-10 -1.04242639e-10 -1.04242639e-10]
 [ 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 =  [-2.60950186e-12 -2.60950186e-12 -2.60950186e-12  0.00000000e+00
  0.00000000e+00  6.31611442e-33]
energy per atom =  -6.2355085863452295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0