ATOMIC_SPECIES
Si 14

LATTICE_CONSTANT
10.2  // add lattice constant

PAW_FILES
Si.xml

LATTICE_VECTORS
0.5 0.0 0.5
0.5 0.5 0.0
0.0 0.5 0.5

ATOMIC_POSITIONS
Direct 

Si	// Element type	
0.0	// magnetism
2	
0.00 0.00 0.00 1 1 1
0.24 0.26 0.25 1 1 1
