ATOMIC_SPECIES
Si 14 si.lda.lps

LATTICE_CONSTANT
10.22  // add lattice constant

LATTICE_VECTORS
0.000000000000    0.500000000000    0.500000000000    
0.500000000000    0.000000000000    0.500000000000    
0.500000000000    0.500000000000    0.000000000000    

ATOMIC_POSITIONS
Direct

Si
0.0
2
    0.000000000000    0.000000000000    0.000000000000 1 1 1
    0.250000000000    0.250000000000    0.250000000000 1 1 1
