element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
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 =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:21       -1.981867       16.7213
BFGS:    1 17:16:21       -4.261229       13.6879
BFGS:    2 17:16:21       -6.094074       10.7716
BFGS:    3 17:16:21       -7.499759        7.9966
BFGS:    4 17:16:21       -8.501411        5.3889
BFGS:    5 17:16:22       -9.126149        2.9757
BFGS:    6 17:16:22       -9.405215        0.7845
BFGS:    7 17:16:22       -9.427728        0.0592
BFGS:    8 17:16:22       -9.427861        0.0014
BFGS:    9 17:16:22       -9.427861        0.0000
BFGS:   10 17:16:22       -9.427861        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.166719790161041e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.176861064885535, -5.83751385621421e-33, -7.213218429097993e-33], [-8.176302753405841e-33, 4.176861064885535, 5.679675233862688e-17], [2.9871592589665224e-32, 5.679675233862684e-17, 4.176861064885535]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.16671979e-12 -8.16671979e-12 -8.16671979e-12 -2.04980802e-28
  4.41570872e-34  1.98282307e-51]
energy per atom =  -2.356965245250832
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0