element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:27:13      -13.504695         2.676531
BFGS:    1 17:27:13      -13.690412         2.185722
BFGS:    2 17:27:13      -13.879316         1.602506
BFGS:    3 17:27:13      -14.013229         1.079890
BFGS:    4 17:27:13      -14.098111         0.612433
BFGS:    5 17:27:13      -14.139290         0.195306
BFGS:    6 17:27:13      -14.145176         0.147376
BFGS:    7 17:27:13      -14.145535         0.122218
BFGS:    8 17:27:13      -14.146049         0.056046
BFGS:    9 17:27:14      -14.146250         0.016917
BFGS:   10 17:27:14      -14.146290         0.003404
BFGS:   11 17:27:14      -14.146292         0.000602
BFGS:   12 17:27:14      -14.146292         0.000035
BFGS:   13 17:27:14      -14.146292         0.000001
BFGS:   14 17:27:14      -14.146292         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.530872729825903e-31 eV/Angstrom
Maximum stress component: 4.6026628062951006e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 7.26544846e-33 2.31112766e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[5.133219736104102, 6.144338766843052e-36, 5.5329049578762234e-39], [2.4857528145500076e-36, 5.133219736104101, -6.622994035656762e-19], [-6.565192362069155e-38, -3.552614170353657e-19, 2.624628606527302]])
forces =  [[-1.26543636e-31 -2.37269318e-31  8.08776132e-33]
 [-6.32718182e-32  9.49077274e-32 -1.22452056e-50]
 [-2.53087273e-31 -2.37269318e-31 -8.08776132e-33]
 [-6.32718182e-32 -1.58179546e-31  2.04086761e-50]]
stress =  [-4.60266281e-10 -4.60266281e-10  1.73832819e-10 -4.57825318e-28
 -5.71798173e-35  1.41886610e-52]
energy per atom =  -3.5365730324646663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0