element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:40:51      -18.505934         0.410419
BFGS:    1 14:40:51      -18.508982         0.346612
BFGS:    2 14:40:51      -18.515744         0.131647
BFGS:    3 14:40:51      -18.516720         0.105049
BFGS:    4 14:40:51      -18.517871         0.042620
BFGS:    5 14:40:51      -18.517938         0.041391
BFGS:    6 14:40:51      -18.518352         0.014838
BFGS:    7 14:40:51      -18.518378         0.005420
BFGS:    8 14:40:51      -18.518380         0.000315
BFGS:    9 14:40:51      -18.518380         0.000011
BFGS:   10 14:40:51      -18.518380         0.000000
BFGS:   11 14:40:51      -18.518380         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.672782983809256e-09 eV/Angstrom
Maximum stress component: 2.1031856600717596e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.8410077154725717, 4.411601387068132e-18, 3.5705573256022645e-37], [-1.9205038577362858, 3.3264102577312773, 2.417929631549294e-37], [-5.410319716320241e-37, -1.0198877313110726e-35, 6.272339333561003]])
forces =  [[-4.73440754e-31  3.82677605e-31 -6.67278298e-09]
 [ 3.15627169e-31 -1.09336459e-31 -6.67278298e-09]
 [ 2.20939018e-31 -3.82677605e-31  6.67278298e-09]
 [-6.31254338e-32 -3.28009376e-31  6.67278298e-09]]
stress =  [ 2.10318566e-10  2.10318566e-10 -1.14334208e-10 -1.57537459e-33
 -2.72862882e-33 -4.15868562e-26]
energy per atom =  -4.62959501270524
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0