element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
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 =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:39:18      -15.814449         1.711129
BFGS:    1 15:39:18      -15.926125         1.338679
BFGS:    2 15:39:18      -16.074133         0.650708
BFGS:    3 15:39:18      -16.125310         0.083531
BFGS:    4 15:39:18      -16.126246         0.006349
BFGS:    5 15:39:18      -16.126252         0.000070
BFGS:    6 15:39:18      -16.126252         0.000000
BFGS:    7 15:39:18      -16.126252         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5673757462462e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.82324807e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.89394884e-34]]
cellpar =  Cell([[3.9930144935049157, 1.4999192944780388e-33, -1.9918360817212633e-32], [-9.130539556043497e-33, 3.9930144935049157, -3.0051419185616866e-18], [-6.956618702254221e-34, -3.0051419185616846e-18, 3.9930144935049157]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.56737575e-14 -3.56737575e-14 -3.56737575e-14 -4.78771129e-30
  3.01981082e-63  1.12900467e-63]
energy per atom =  -4.031562884438925
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0