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 15:34:02      -18.505934        0.4104
BFGS:    1 15:34:02      -18.508982        0.3466
BFGS:    2 15:34:02      -18.515744        0.1316
BFGS:    3 15:34:02      -18.516720        0.1050
BFGS:    4 15:34:02      -18.517871        0.0426
BFGS:    5 15:34:02      -18.517938        0.0414
BFGS:    6 15:34:02      -18.518352        0.0148
BFGS:    7 15:34:02      -18.518378        0.0054
BFGS:    8 15:34:02      -18.518380        0.0003
BFGS:    9 15:34:02      -18.518380        0.0000
BFGS:   10 15:34:02      -18.518380        0.0000
BFGS:   11 15:34:02      -18.518380        0.0000
Minimization converged after 11 steps.
Maximum force component: 6.672778327811449e-09 eV/Angstrom
Maximum stress component: 2.103187899520307e-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([[3.841007715472572, 3.3171563487671342e-18, 4.6934507773592636e-38], [-1.920503857736286, 3.326410257731278, 1.193917524198899e-37], [2.5354068726493902e-36, 5.466026366269512e-36, 6.272339333561002]])
forces =  [[ 4.73440754e-32 -3.00675261e-31 -6.67277833e-09]
 [ 1.89376301e-31  1.09336459e-31 -6.67277833e-09]
 [-4.73440754e-32  3.00675261e-31  6.67277833e-09]
 [-3.15627169e-31  1.09336459e-31  6.67277833e-09]]
stress =  [ 2.10318790e-10  2.10318790e-10 -1.14334255e-10 -3.54459282e-33
 -6.82157206e-34  2.25968265e-27]
energy per atom =  -4.629595012705241
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0