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_1990_SiC__MO_444207127575_000
==== 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 16:26:22      -18.505934         0.410419
BFGS:    1 16:26:22      -18.508982         0.346612
BFGS:    2 16:26:22      -18.515744         0.131647
BFGS:    3 16:26:22      -18.516720         0.105049
BFGS:    4 16:26:22      -18.517871         0.042620
BFGS:    5 16:26:22      -18.517938         0.041391
BFGS:    6 16:26:22      -18.518352         0.014838
BFGS:    7 16:26:22      -18.518378         0.005420
BFGS:    8 16:26:22      -18.518380         0.000315
BFGS:    9 16:26:22      -18.518380         0.000011
BFGS:   10 16:26:22      -18.518380         0.000000
BFGS:   11 16:26:22      -18.518380         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.67278268751126e-09 eV/Angstrom
Maximum stress component: 2.1031930421522778e-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([[3.841007715472574, 1.1062741206570628e-18, -1.106395590822208e-37], [-1.920503857736287, 3.326410257731279, -4.277727576730233e-36], [-3.468377238095542e-37, 8.126524061873912e-37, 6.272339333561002]])
forces =  [[ 7.25942489e-31 -2.73341147e-31 -6.67278269e-09]
 [-3.78752603e-31  3.28009376e-31 -6.67278269e-09]
 [-6.62817055e-31  3.82677605e-31  6.67278269e-09]
 [ 5.05003471e-31 -3.28009376e-31  6.67278269e-09]]
stress =  [ 2.10319304e-10  2.10319304e-10 -1.14334166e-10  7.48302928e-33
  2.04647162e-33  6.81081672e-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