element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
SW_LeeHwang_2012LDA_Si__MO_517338295712_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:33:35      -31.657256        0.4292
BFGS:    1 17:33:35      -31.664938        0.4061
BFGS:    2 17:33:35      -31.712210        0.2270
BFGS:    3 17:33:35      -31.733838        0.0640
BFGS:    4 17:33:35      -31.735836        0.0042
BFGS:    5 17:33:35      -31.735845        0.0001
BFGS:    6 17:33:35      -31.735845        0.0000
BFGS:    7 17:33:35      -31.735845        0.0000
Minimization converged after 7 steps.
Maximum force component: 2.179880484901099e-30 eV/Angstrom
Maximum stress component: 1.329181027354509e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 2.26512199e-34 5.00000000e-01]
 [7.50000000e-01 7.70141478e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [5.53363868e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.85070739e-33 7.50000000e-01]
 [5.00000000e-01 3.73745129e-33 2.50000000e-01]]
cellpar =  Cell([[6.80203521258014, -2.3397834281382983e-32, 2.5580201057687905e-32], [-1.0031466607437675e-32, 6.80203521258014, 1.575626387365795e-17], [-1.2078003420233532e-33, 1.5756263873657854e-17, 6.80203521258014]])
forces =  [[ 6.28811678e-32 -6.98679643e-33 -1.61842455e-50]
 [-1.39735929e-32 -6.98679643e-33  3.49339821e-33]
 [-2.18377784e-63  1.48120084e-30 -3.71173560e-33]
 [ 2.62004866e-33 -8.87323146e-31 -6.98679643e-33]
 [-3.57527473e-33 -3.05882241e-48 -1.32050452e-30]
 [-6.94116732e-33  3.49339821e-33  1.50914803e-30]
 [ 3.13859996e-33  1.80259348e-30 -6.98679643e-33]
 [ 2.45295985e-63 -1.66285755e-30 -3.49339821e-33]
 [-2.44537875e-31 -6.98679643e-33  3.13829580e-33]
 [-6.56758864e-31 -6.98679643e-33  5.45843471e-35]
 [-3.49339821e-33  4.24027233e-48  1.83054066e-30]
 [-6.98679643e-33  3.49339821e-33 -2.17988048e-30]]
stress =  [-1.32918103e-13 -1.32918103e-13 -1.32918103e-13  3.66741148e-30
  1.44638107e-63 -6.54146575e-62]
energy per atom =  -2.644653729258413
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0