ATOMIC_SPECIES
Al 26.982  Al.PD04.PBE.UPF

NUMERICAL_ORBITAL
Al_gga_10au_100Ry_3s3p2d.orb

LATTICE_CONSTANT
1.8897261254578281

LATTICE_VECTORS
4.04495 0.0 0.0
0.0 4.04495 0.0
0.0 0.0 4.04495

ATOMIC_POSITIONS
Direct
Al
0.0
4
0.00 0.00 0.00 1 1 1
0.50 0.50 0.00 1 1 1
0.50 0.00 0.50 1 1 1
0.00 0.50 0.50 1 1 1
