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_1988T2_Si__MO_245095684871_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      -18.510753         0.347355
BFGS:    1 14:40:51      -18.514008         0.271991
BFGS:    2 14:40:51      -18.519154         0.118600
BFGS:    3 14:40:51      -18.520199         0.096005
BFGS:    4 14:40:51      -18.521309         0.012390
BFGS:    5 14:40:51      -18.521321         0.012761
BFGS:    6 14:40:51      -18.521332         0.017740
BFGS:    7 14:40:51      -18.521359         0.025298
BFGS:    8 14:40:51      -18.521417         0.032981
BFGS:    9 14:40:51      -18.521514         0.034854
BFGS:   10 14:40:51      -18.521607         0.023251
BFGS:   11 14:40:51      -18.521643         0.008138
BFGS:   12 14:40:51      -18.521648         0.001247
BFGS:   13 14:40:51      -18.521649         0.000090
BFGS:   14 14:40:51      -18.521649         0.000012
BFGS:   15 14:40:51      -18.521649         0.000000
BFGS:   16 14:40:51      -18.521649         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.007633984558321e-09 eV/Angstrom
Maximum stress component: 9.359877366730962e-11 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([[3.8404600916648963, 3.5218715732372646e-18, -4.981408471398072e-38], [-1.9202300458324482, 3.3259360016021127, -9.96987844767271e-38], [1.4263266945024117e-36, 4.405601034163124e-36, 6.271445071341056]])
forces =  [[-1.26232868e-31  2.18641740e-31 -3.00763398e-09]
 [ 1.26232868e-31 -6.55925221e-31 -3.00763398e-09]
 [-5.04931471e-31  2.11235709e-45  3.00763398e-09]
 [-1.26232868e-31 -2.18641740e-31  3.00763398e-09]]
stress =  [-1.33210553e-11 -1.33210553e-11 -9.35987737e-11 -1.77280188e-33
  3.41175881e-34 -4.06745718e-28]
energy per atom =  -4.63041216349689
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0