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_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== 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 17:26:49      -15.926407        30.003102
BFGS:    1 17:26:49      -18.146778        28.272701
BFGS:    2 17:26:49      -20.057490        26.423796
BFGS:    3 17:26:49      -21.874372        24.070960
BFGS:    4 17:26:49      -23.593480        21.844846
BFGS:    5 17:26:49      -25.237055        20.660547
BFGS:    6 17:26:49      -26.657638        19.450547
BFGS:    7 17:26:49      -27.974945        18.098522
BFGS:    8 17:26:49      -29.241468        16.521634
BFGS:    9 17:26:49      -30.464675        14.694454
BFGS:   10 17:26:49      -31.658088        12.582349
BFGS:   11 17:26:49      -32.844493        10.128289
BFGS:   12 17:26:49      -33.892104         7.665717
BFGS:   13 17:26:50      -34.702353         5.859454
BFGS:   14 17:26:50      -35.351899         5.241975
BFGS:   15 17:26:50      -35.873816         4.398650
BFGS:   16 17:26:50      -36.269250         3.232467
BFGS:   17 17:26:50      -36.520415         1.714425
BFGS:   18 17:26:50      -36.606739         0.393191
BFGS:   19 17:26:50      -36.607800         0.388496
BFGS:   20 17:26:50      -36.611218         0.347914
BFGS:   21 17:26:50      -36.614056         0.295577
BFGS:   22 17:26:50      -36.612236         0.427551
BFGS:   23 17:26:50      -36.616225         0.081539
BFGS:   24 17:26:50      -36.616310         0.034342
BFGS:   25 17:26:50      -36.616329         0.000225
BFGS:   26 17:26:50      -36.616329         0.000019
BFGS:   27 17:26:50      -36.616329         0.000000
BFGS:   28 17:26:50      -36.616329         0.000000
Minimization converged after 28 steps.
Maximum force component: 4.575661238792607e-10 eV/Angstrom
Maximum stress component: 2.1261642605015346e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[5.55103789e-34 5.00000000e-01 6.02707027e-01]
 [5.00000000e-01 3.49914963e-33 1.02707027e-01]
 [0.00000000e+00 5.00000000e-01 3.97292973e-01]
 [5.00000000e-01 0.00000000e+00 8.97292973e-01]
 [0.00000000e+00 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 1.39965985e-32 7.50000000e-01]]
cellpar =  Cell([[3.522556322121607, -3.084080804172015e-35, 2.1801138087628085e-32], [-1.558620683052723e-35, 3.5225563221216074, -7.582727177069018e-17], [2.930634572815053e-33, -1.7338130853253516e-16, 7.601375524127558]])
forces =  [[ 2.17094294e-32 -1.04365444e-26  4.57566124e-10]
 [ 1.04205261e-30 -1.04367398e-26  4.57566124e-10]
 [ 2.30662688e-32  1.04368917e-26 -4.57566124e-10]
 [ 6.94701742e-31  1.04367398e-26 -4.57566124e-10]
 [-7.68459327e-67  1.73675436e-31 -3.73857314e-48]
 [ 7.68459327e-67 -1.73675436e-31  3.73857314e-48]]
stress =  [-3.35117400e-12 -3.35117400e-12 -2.12616426e-11 -3.99999487e-28
  1.47305955e-32  2.58257337e-49]
energy per atom =  -6.102721481007528
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0