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 16:28:30      -23.877353         0.381996
BFGS:    1 16:28:30      -23.883468         0.365041
BFGS:    2 16:28:30      -23.926408         0.206517
BFGS:    3 16:28:30      -23.945129         0.042096
BFGS:    4 16:28:30      -23.945920         0.000976
BFGS:    5 16:28:30      -23.945920         0.000004
BFGS:    6 16:28:30      -23.945920         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.987817028605216e-31 eV/Angstrom
Maximum stress component: 2.3942302941072453e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[9.63394389e-34 0.00000000e+00 3.41595458e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.22097658e-33]
 [5.00000000e-01 0.00000000e+00 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, 5.955169339945208e-36, -2.7447342228492624e-36], [-1.8448023494160704e-36, 5.38667811510546, 1.0004994479272165e-24], [3.2966367037001297e-38, 1.0004994479253531e-24, 5.38667811510546]])
forces =  [[-1.21725879e-31  5.53299450e-32 -5.53299450e-32]
 [-1.21725879e-31  9.95939010e-32 -1.10659890e-31]
 [-4.42639560e-32 -2.98781703e-31  3.31979670e-32]
 [-1.32791868e-31 -6.63959340e-32 -2.98781703e-31]
 [ 1.10659890e-31  2.65583736e-31  1.27258873e-31]
 [ 4.73762654e-32 -2.21319780e-32 -1.99187802e-31]
 [ 2.33682564e-31  1.77055824e-31  1.99879426e-31]
 [ 8.85279120e-32  4.42639560e-32  1.54923846e-31]]
stress =  [ 2.39423029e-11  2.39423029e-11  2.39423029e-11 -7.08329695e-28
 -2.83196024e-34  2.00466169e-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