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_1988T3_Si__MO_186459956893_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 10:47:18      -18.506444         0.410554
BFGS:    1 10:47:18      -18.509494         0.346758
BFGS:    2 10:47:18      -18.516266         0.131764
BFGS:    3 10:47:18      -18.517242         0.105047
BFGS:    4 10:47:18      -18.518393         0.042617
BFGS:    5 10:47:18      -18.518460         0.041381
BFGS:    6 10:47:19      -18.518875         0.014512
BFGS:    7 10:47:19      -18.518900         0.005189
BFGS:    8 10:47:19      -18.518902         0.000288
BFGS:    9 10:47:19      -18.518902         0.000010
BFGS:   10 10:47:19      -18.518902         0.000000
BFGS:   11 10:47:19      -18.518902         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.6074181335571246e-09 eV/Angstrom
Maximum stress component: 1.7772724295639461e-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([[3.840989155331662, 4.079467898441276e-18, 3.2992818151927697e-38], [-1.920494577665831, 3.326394184177752, -6.098901735834495e-37], [1.3294553217342512e-36, 2.5522036144679887e-36, 6.272309025074529]])
forces =  [[ 3.94532055e-31 -6.83349564e-32 -5.60741813e-09]
 [-1.18852752e-45  3.28007791e-31 -5.60741813e-09]
 [-2.84063080e-31  2.28135770e-45  5.60741813e-09]
 [ 2.52500515e-31 -3.28007791e-31  5.60741813e-09]]
stress =  [ 1.77727243e-10  1.77727243e-10 -9.14637864e-11  3.54462707e-33
  6.82163798e-34  6.37769786e-26]
energy per atom =  -4.6297255032484195
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0