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_PlummerTucker_2019_TiSiC__MO_751442731010_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 15:02:32      -55.382657       14.9259
BFGS:    1 15:02:32      -58.752217       14.9458
BFGS:    2 15:02:32      -61.221230       14.6179
BFGS:    3 15:02:32      -63.547433       14.1594
BFGS:    4 15:02:32      -65.775090       13.5719
BFGS:    5 15:02:32      -67.901909       12.8316
BFGS:    6 15:02:32      -69.909317       11.9046
BFGS:    7 15:02:32      -71.768680       10.7565
BFGS:    8 15:02:32      -73.443450        9.3596
BFGS:    9 15:02:32      -74.890952        7.7031
BFGS:   10 15:02:32      -76.064960        5.8013
BFGS:   11 15:02:32      -76.919329        3.7007
BFGS:   12 15:02:32      -77.427429        2.0472
BFGS:   13 15:02:32      -77.724867        1.3657
BFGS:   14 15:02:32      -77.868394        0.6840
BFGS:   15 15:02:32      -77.909324        0.6411
BFGS:   16 15:02:32      -77.934607        0.5825
BFGS:   17 15:02:32      -77.965428        0.2308
BFGS:   18 15:02:32      -77.969604        0.0490
BFGS:   19 15:02:32      -77.969945        0.0080
BFGS:   20 15:02:32      -77.969954        0.0004
BFGS:   21 15:02:32      -77.969954        0.0000
BFGS:   22 15:02:32      -77.969954        0.0000
BFGS:   23 15:02:32      -77.969954        0.0000
Minimization converged after 23 steps.
Maximum force component: 1.994852547038129e-11 eV/Angstrom
Maximum stress component: 1.4709098907278874e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.04697090e-01 4.04697090e-01 4.04697090e-01]
 [9.53029103e-02 5.95302910e-01 9.04697090e-01]
 [5.95302910e-01 9.04697090e-01 9.53029103e-02]
 [9.04697090e-01 9.53029103e-02 5.95302910e-01]
 [5.95302910e-01 5.95302910e-01 5.95302910e-01]
 [9.04697090e-01 4.04697090e-01 9.53029103e-02]
 [4.04697090e-01 9.53029103e-02 9.04697090e-01]
 [9.53029103e-02 9.04697090e-01 4.04697090e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [6.55509656e-53 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.0967302450967775, 4.305316156364678e-36, 0.0], [-4.4655871709769015e-36, 5.0967302450967775, 0.0], [0.0, 0.0, 5.0967302450967775]])
forces =  [[-1.99485255e-11 -1.99485255e-11 -1.99485255e-11]
 [ 1.99485255e-11  1.99485255e-11 -1.99485255e-11]
 [ 1.99485255e-11 -1.99485255e-11  1.99485255e-11]
 [-1.99485255e-11  1.99485255e-11  1.99485255e-11]
 [ 1.99485255e-11  1.99485255e-11  1.99485255e-11]
 [-1.99485255e-11 -1.99485255e-11  1.99485255e-11]
 [-1.99485255e-11  1.99485255e-11 -1.99485255e-11]
 [ 1.99485255e-11 -1.99485255e-11 -1.99485255e-11]
 [ 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 =  [-1.47090989e-10 -1.47090989e-10 -1.47090989e-10  0.00000000e+00
  0.00000000e+00  5.06134436e-33]
energy per atom =  -6.497496204752621
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0