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:
ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_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 10:47:20      -18.507640         0.415171
BFGS:    1 10:47:20      -18.510821         0.350703
BFGS:    2 10:47:20      -18.517980         0.135244
BFGS:    3 10:47:20      -18.519000         0.106696
BFGS:    4 10:47:20      -18.520164         0.041633
BFGS:    5 10:47:20      -18.520230         0.040572
BFGS:    6 10:47:20      -18.520672         0.013333
BFGS:    7 10:47:20      -18.520692         0.004343
BFGS:    8 10:47:20      -18.520694         0.000197
BFGS:    9 10:47:20      -18.520694         0.000006
BFGS:   10 10:47:21      -18.520694         0.000000
BFGS:   11 10:47:21      -18.520694         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.682872042931631e-09 eV/Angstrom
Maximum stress component: 8.51785261275267e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.56249591]
 [0.66666666 0.33333334 0.06249591]
 [0.66666666 0.33333334 0.43750409]
 [0.33333333 0.66666667 0.93750409]]
cellpar =  Cell([[3.8399625744663153, -2.9331131185428415e-19, -1.5525492967126733e-38], [-1.9199812872331576, 3.3255051390693215, -3.122950220842425e-38], [-2.007273561083035e-37, 2.199485583306658e-36, 6.270406963474048]])
forces =  [[ 3.15541287e-31 -3.55246801e-31 -2.68287204e-09]
 [-2.36655965e-31  4.09900155e-31 -2.68287204e-09]
 [-3.78649544e-31  1.36633385e-31  2.68287204e-09]
 [ 3.31318351e-31 -1.36633385e-31  2.68287204e-09]]
stress =  [ 8.51785261e-11  8.51785261e-11 -4.13360065e-11  7.09330042e-33
  1.36510630e-33  4.73386176e-26]
energy per atom =  -4.630173425310369
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0