element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:10:10       -6.353776        1.5570
BFGS:    1 15:10:10       -6.424862        1.3830
BFGS:    2 15:10:11       -6.540184        0.8862
BFGS:    3 15:10:11       -6.585614        0.2212
BFGS:    4 15:10:11       -6.586578        0.1215
BFGS:    5 15:10:11       -6.587444        0.1015
BFGS:    6 15:10:11       -6.588352        0.0414
BFGS:    7 15:10:11       -6.588461        0.0101
BFGS:    8 15:10:11       -6.588467        0.0010
BFGS:    9 15:10:11       -6.588467        0.0000
BFGS:   10 15:10:11       -6.588467        0.0000
BFGS:   11 15:10:11       -6.588467        0.0000
BFGS:   12 15:10:11       -6.588467        0.0000
Minimization converged after 12 steps.
Maximum force component: 2.383657710773406e-32 eV/Angstrom
Maximum stress component: 4.233016436460107e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.578470509056474, -8.959295834528051e-18, 4.93293511774954e-37], [-1.289235254528237, 2.2330209637519007, -1.8011129468881294e-36], [-1.0298783543530463e-35, -3.451592274449516e-35, 4.258913103181707]])
forces =  [[ 2.38365771e-32 -4.58735140e-33  4.37459641e-33]
 [-2.64850857e-33  4.58735140e-33 -4.37459641e-33]]
stress =  [ 4.17207577e-11  4.17207577e-11  4.23301644e-11 -8.64047507e-33
  2.12977183e-46 -1.45394618e-26]
energy per atom =  -3.2942336144718873
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0