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 16:16:15      -15.926407        30.003102
BFGS:    1 16:16:15      -18.146778        28.272701
BFGS:    2 16:16:15      -20.057490        26.423796
BFGS:    3 16:16:15      -21.874372        24.070960
BFGS:    4 16:16:15      -23.593480        21.844846
BFGS:    5 16:16:15      -25.237055        20.660547
BFGS:    6 16:16:15      -26.657638        19.450547
BFGS:    7 16:16:15      -27.974945        18.098522
BFGS:    8 16:16:15      -29.241468        16.521634
BFGS:    9 16:16:16      -30.464675        14.694454
BFGS:   10 16:16:16      -31.658088        12.582349
BFGS:   11 16:16:16      -32.844493        10.128289
BFGS:   12 16:16:16      -33.892104         7.665717
BFGS:   13 16:16:16      -34.702353         5.859454
BFGS:   14 16:16:16      -35.351899         5.241975
BFGS:   15 16:16:16      -35.873816         4.398650
BFGS:   16 16:16:16      -36.269250         3.232467
BFGS:   17 16:16:16      -36.520415         1.714425
BFGS:   18 16:16:16      -36.606739         0.393191
BFGS:   19 16:16:16      -36.607800         0.388496
BFGS:   20 16:16:16      -36.611218         0.347914
BFGS:   21 16:16:16      -36.614056         0.295577
BFGS:   22 16:16:16      -36.612236         0.427551
BFGS:   23 16:16:16      -36.616225         0.081539
BFGS:   24 16:16:16      -36.616310         0.034342
BFGS:   25 16:16:17      -36.616329         0.000225
BFGS:   26 16:16:17      -36.616329         0.000019
BFGS:   27 16:16:17      -36.616329         0.000000
BFGS:   28 16:16:17      -36.616329         0.000000
Minimization converged after 28 steps.
Maximum force component: 4.572993962670414e-10 eV/Angstrom
Maximum stress component: 2.1239678044536778e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[0.00000000e+00 5.00000000e-01 6.02707027e-01]
 [5.00000000e-01 8.74787407e-34 1.02707027e-01]
 [3.51108316e-34 5.00000000e-01 3.97292973e-01]
 [5.00000000e-01 0.00000000e+00 8.97292973e-01]
 [3.53600456e-34 0.00000000e+00 2.50000000e-01]
 [4.91268522e-34 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.5225563221216074, 3.18160048675609e-36, -5.469084379528914e-34], [-1.800669195919796e-35, 3.522556322121608, 6.928835852725645e-17], [2.7078989288117454e-33, 1.5683294037269508e-16, 7.601375524127568]])
forces =  [[ 6.78419670e-34  9.43503958e-27  4.57299396e-10]
 [-3.25641442e-32  9.43508300e-27  4.57299396e-10]
 [-1.62907429e-43 -9.43508300e-27 -4.57299396e-10]
 [-8.68377178e-32 -9.43508300e-27 -4.57299396e-10]
 [-8.68377178e-32  1.73675436e-31  1.49910699e-30]
 [-1.27542898e-31 -8.68377178e-32 -1.49910699e-30]]
stress =  [-3.34487815e-12 -3.34487815e-12 -2.12396780e-11  4.28756025e-28
 -7.36529775e-33  3.87386005e-49]
energy per atom =  -6.102721481007523
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0