ATOMIC_SPECIES
Al 26.981500 Al.upf

NUMERICAL_ORBITAL
Al_gga_8au_100Ry_2s2p1d.orb

LATTICE_CONSTANT
7.6513590200098225 // add lattice constant

LATTICE_VECTORS
0.707106781187 0.000000000000 0.000000000000
0.000000000000 5.000000000000 0.000000000000
0.000000000000 0.000000000000 0.707106781187

ATOMIC_POSITIONS
Direct

Al
0.0
5
0.000000000000 0.000000000000 0.000000000000 1 1 1
0.500000000000 0.100000000000 0.500000000000 1 1 1
0.000000000000 0.200000000000 0.000000000000 1 1 1
0.500000000000 0.300000000000 0.500000000000 1 1 1
0.000000000000 0.400000000000 0.000000000000 1 1 1