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 16:40:43       -1.981867        16.721254
BFGS:    1 16:40:43       -4.261229        13.687852
BFGS:    2 16:40:43       -6.094074        10.771559
BFGS:    3 16:40:43       -7.499759         7.996582
BFGS:    4 16:40:43       -8.501411         5.388889
BFGS:    5 16:40:43       -9.126149         2.975660
BFGS:    6 16:40:43       -9.405215         0.784540
BFGS:    7 16:40:43       -9.427728         0.059226
BFGS:    8 16:40:43       -9.427861         0.001449
BFGS:    9 16:40:43       -9.427861         0.000003
BFGS:   10 16:40:43       -9.427861         0.000000
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, 3.058890295253833e-32, 2.530406140857167e-33], [3.450788196126602e-32, 4.176861064885535, 4.136225992537928e-17], [1.332501981015684e-32, 4.1362259925379276e-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  3.24845619e-29
  4.41570872e-35  1.68388715e-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