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_KDS_KhorDasSarma_1988_Si__MO_722489435928_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 15:34:01      -18.947005        0.4203
BFGS:    1 15:34:01      -18.950293        0.3648
BFGS:    2 15:34:01      -18.959912        0.1437
BFGS:    3 15:34:01      -18.960793        0.0857
BFGS:    4 15:34:01      -18.961326        0.0431
BFGS:    5 15:34:01      -18.961403        0.0423
BFGS:    6 15:34:01      -18.961767        0.0215
BFGS:    7 15:34:01      -18.961816        0.0096
BFGS:    8 15:34:01      -18.961822        0.0010
BFGS:    9 15:34:01      -18.961822        0.0000
BFGS:   10 15:34:01      -18.961822        0.0000
BFGS:   11 15:34:01      -18.961822        0.0000
BFGS:   12 15:34:01      -18.961822        0.0000
Minimization converged after 12 steps.
Maximum force component: 6.312632031565178e-10 eV/Angstrom
Maximum stress component: 2.7027884190064455e-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([[3.8373521902036862, -7.607094809891259e-19, -1.1847048147602354e-38], [-1.9186760951018431, 3.3232444799842478, -2.8345337167123553e-38], [8.483065913133944e-38, 2.305505126586834e-36, 6.2663698863373085]])
forces =  [[-2.52261427e-31  2.18464804e-31 -6.31263203e-10]
 [ 2.83794105e-31 -4.91545809e-31 -6.31263203e-10]
 [ 2.52261427e-31 -2.18464804e-31  6.31263203e-10]
 [-2.83794105e-31  4.91545809e-31  6.31263203e-10]]
stress =  [ 1.16621936e-12  1.16621936e-12 -2.70278842e-12 -1.97297184e-33
 -6.83457493e-34 -6.09280791e-28]
energy per atom =  -4.740455466266335
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0