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_1989_SiC__MO_171585019474_004
==== 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 16:58:45      -69.326194         8.811395
BFGS:    1 16:58:45      -71.686350         3.364166
BFGS:    2 16:58:45      -72.347830         1.439334
BFGS:    3 16:58:45      -72.608926         1.450287
BFGS:    4 16:58:45      -72.773757         1.369253
BFGS:    5 16:58:45      -72.914634         1.252959
BFGS:    6 16:58:45      -73.051029         1.166121
BFGS:    7 16:58:45      -73.184657         1.215561
BFGS:    8 16:58:45      -73.313135         1.182382
BFGS:    9 16:58:45      -73.431928         1.070377
BFGS:   10 16:58:46      -73.534399         0.875206
BFGS:   11 16:58:46      -73.611383         0.584117
BFGS:   12 16:58:46      -73.649812         0.162858
BFGS:   13 16:58:46      -73.651469         0.032410
BFGS:   14 16:58:46      -73.651622         0.008477
BFGS:   15 16:58:46      -73.651654         0.000426
BFGS:   16 16:58:46      -73.651654         0.000030
BFGS:   17 16:58:46      -73.651654         0.000000
BFGS:   18 16:58:46      -73.651654         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.0409166959656964e-10 eV/Angstrom
Maximum stress component: 6.31249548826893e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.03907683e-01 4.03907683e-01 4.03907683e-01]
 [9.60923170e-02 5.96092317e-01 9.03907683e-01]
 [5.96092317e-01 9.03907683e-01 9.60923170e-02]
 [9.03907683e-01 9.60923170e-02 5.96092317e-01]
 [5.96092317e-01 5.96092317e-01 5.96092317e-01]
 [9.03907683e-01 4.03907683e-01 9.60923170e-02]
 [4.03907683e-01 9.60923170e-02 9.03907683e-01]
 [9.60923170e-02 9.03907683e-01 4.03907683e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [3.64764650e-53 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.579604809234943, 1.3246414301666516e-37, 0.0], [1.5686900095253533e-36, 4.579604809234943, 0.0], [0.0, 0.0, 4.579604809234943]])
forces =  [[-4.0409167e-10 -4.0409167e-10 -4.0409167e-10]
 [ 4.0409167e-10  4.0409167e-10 -4.0409167e-10]
 [ 4.0409167e-10 -4.0409167e-10  4.0409167e-10]
 [-4.0409167e-10  4.0409167e-10  4.0409167e-10]
 [ 4.0409167e-10  4.0409167e-10  4.0409167e-10]
 [-4.0409167e-10 -4.0409167e-10  4.0409167e-10]
 [-4.0409167e-10  4.0409167e-10 -4.0409167e-10]
 [ 4.0409167e-10 -4.0409167e-10 -4.0409167e-10]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]
 [ 0.0000000e+00  0.0000000e+00  0.0000000e+00]]
stress =  [6.31249549e-11 6.31249549e-11 6.31249549e-11 0.00000000e+00
 0.00000000e+00 3.91807906e-34]
energy per atom =  -6.1376378580207644
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0