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 09:48:53      -22.801777         0.374984
BFGS:    1 09:48:53      -22.814514         0.196997
BFGS:    2 09:48:53      -22.821794         0.227995
BFGS:    3 09:48:53      -22.823741         0.227228
BFGS:    4 09:48:53      -22.833292         0.176141
BFGS:    5 09:48:53      -22.840233         0.173343
BFGS:    6 09:48:53      -22.843987         0.169020
BFGS:    7 09:48:53      -22.844767         0.148836
BFGS:    8 09:48:53      -22.845393         0.125951
BFGS:    9 09:48:53      -22.846504         0.087410
BFGS:   10 09:48:53      -22.848191         0.086114
BFGS:   11 09:48:53      -22.849545         0.058925
BFGS:   12 09:48:53      -22.849997         0.018169
BFGS:   13 09:48:53      -22.850048         0.002902
BFGS:   14 09:48:53      -22.850049         0.000237
BFGS:   15 09:48:53      -22.850049         0.000016
BFGS:   16 09:48:53      -22.850049         0.000001
BFGS:   17 09:48:53      -22.850049         0.000000
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