element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
SW_LeeHwang_2012LDA_Si__MO_517338295712_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:19:56      -22.801777        0.3750
BFGS:    1 17:19:56      -22.814514        0.1970
BFGS:    2 17:19:56      -22.821794        0.2280
BFGS:    3 17:19:56      -22.823741        0.2272
BFGS:    4 17:19:56      -22.833292        0.1761
BFGS:    5 17:19:56      -22.840233        0.1733
BFGS:    6 17:19:56      -22.843987        0.1690
BFGS:    7 17:19:56      -22.844767        0.1488
BFGS:    8 17:19:56      -22.845393        0.1260
BFGS:    9 17:19:56      -22.846504        0.0874
BFGS:   10 17:19:56      -22.848191        0.0861
BFGS:   11 17:19:56      -22.849545        0.0589
BFGS:   12 17:19:56      -22.849997        0.0182
BFGS:   13 17:19:56      -22.850048        0.0029
BFGS:   14 17:19:56      -22.850049        0.0002
BFGS:   15 17:19:56      -22.850049        0.0000
BFGS:   16 17:19:56      -22.850049        0.0000
BFGS:   17 17:19:56      -22.850049        0.0000
Minimization converged after 17 steps.
Maximum force component: 4.132955825828217e-09 eV/Angstrom
Maximum stress component: 2.5474641003624944e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81870305 0.81870305 0.        ]
 [0.18129695 0.18129695 0.        ]
 [0.18129695 0.81870305 0.        ]
 [0.81870305 0.18129695 0.        ]
 [0.31870305 0.31870305 0.5       ]
 [0.68129695 0.68129695 0.5       ]
 [0.68129695 0.31870305 0.5       ]
 [0.31870305 0.68129695 0.5       ]]
cellpar =  Cell([[6.587569407664777, -1.609443225389812e-36, -7.342909752478041e-37], [1.61067972954873e-37, 6.587569407664777, 8.188558857826381e-19], [3.738851690006266e-33, 4.0915264268475164e-19, 3.9093375331642575]])
forces =  [[ 4.13295583e-09  4.13295583e-09  5.13679357e-28]
 [-4.13295583e-09 -4.13295583e-09 -5.13715496e-28]
 [-4.13295583e-09  4.13295583e-09  5.13763683e-28]
 [ 4.13295583e-09 -4.13295583e-09 -5.13679357e-28]
 [ 4.13295583e-09  4.13295583e-09  5.13691403e-28]
 [-4.13295583e-09 -4.13295583e-09 -5.13739590e-28]
 [-4.13295583e-09  4.13295583e-09  5.13769706e-28]
 [ 4.13295583e-09 -4.13295583e-09 -5.13691403e-28]]
stress =  [ 1.32921096e-10  1.32921096e-10 -2.54746410e-10 -3.22915098e-26
 -2.12926748e-43 -1.92229575e-59]
energy per atom =  -2.856256164440442
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0