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_ErhartAlbe_2005SiII_SiC__MO_408791041969_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 15:32:39      -18.483770        0.4130
BFGS:    1 15:32:39      -18.486888        0.3540
BFGS:    2 15:32:39      -18.495235        0.1439
BFGS:    3 15:32:39      -18.496230        0.0946
BFGS:    4 15:32:39      -18.496871        0.0448
BFGS:    5 15:32:39      -18.496950        0.0436
BFGS:    6 15:32:39      -18.497336        0.0223
BFGS:    7 15:32:39      -18.497385        0.0100
BFGS:    8 15:32:39      -18.497391        0.0010
BFGS:    9 15:32:39      -18.497391        0.0000
BFGS:   10 15:32:39      -18.497391        0.0000
BFGS:   11 15:32:39      -18.497391        0.0000
BFGS:   12 15:32:39      -18.497391        0.0000
Minimization converged after 12 steps.
Maximum force component: 4.99388795967774e-10 eV/Angstrom
Maximum stress component: 4.864973767194461e-12 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([[3.839159698922434, -3.4427404619285366e-18, 2.216894345581963e-36], [-1.919579849461217, 3.324809828452245, 4.5933282614578375e-37], [-4.825469002170485e-36, -3.4041137304629244e-36, 6.2693215357234235]])
forces =  [[-1.57737656e-31 -3.82493488e-31 -4.99388796e-10]
 [ 1.26190125e-31 -2.18567708e-31 -4.99388796e-10]
 [-9.46425936e-32  3.82493488e-31  4.99388796e-10]
 [-1.26190125e-31  2.18567708e-31  4.99388796e-10]]
stress =  [ 4.11286695e-12  4.11286695e-12  4.86497377e-12  4.04078471e-33
 -1.19492466e-33 -1.31686289e-27]
energy per atom =  -4.62434774999088
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0