element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
SW_LeeHwang_2012LDA_Si__MO_517338295712_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:43:03      -23.877353         0.381996
BFGS:    1 15:43:03      -23.883468         0.365041
BFGS:    2 15:43:03      -23.926408         0.206517
BFGS:    3 15:43:03      -23.945129         0.042096
BFGS:    4 15:43:03      -23.945920         0.000976
BFGS:    5 15:43:03      -23.945920         0.000004
BFGS:    6 15:43:03      -23.945920         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.323857688915168e-31 eV/Angstrom
Maximum stress component: 2.3942321526807094e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[9.62679276e-34 0.00000000e+00 3.85449189e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.89933970e-34 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.38667811510546, 1.5254840822130649e-33, -5.687627108329749e-33], [-1.525488412089967e-33, 5.38667811510546, -9.46785419896165e-19], [-5.856359292892548e-33, -9.467854198961652e-19, 5.38667811510546]])
forces =  [[ 8.29949175e-32 -1.27258873e-31  6.08629395e-32]
 [ 1.65989835e-32 -1.65989835e-31  2.91750783e-50]
 [ 3.31979670e-32  1.77055824e-31 -3.11200835e-50]
 [-1.10659890e-32  1.43857857e-31 -2.52850678e-50]
 [ 1.65989835e-31 -1.10659890e-31  3.45812156e-32]
 [-7.84993594e-32  2.32385769e-31 -6.63959340e-32]
 [ 1.54232222e-31 -1.35212553e-31  4.56472046e-32]
 [-1.21725879e-31  2.07487294e-31 -3.31979670e-32]]
stress =  [ 2.39423215e-11  2.39423215e-11  2.39423215e-11 -5.31626580e-27
 -1.41598012e-34  1.57205464e-50]
energy per atom =  -2.993239999942891
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0