ATOMIC_SPECIES
Al 26.982  Al.PD04.PBE.UPF

LATTICE_CONSTANT
1.8897261254578281     

NUMERICAL_ORBITAL
Al_gga_10au_100Ry_3s3p2d.orb

LATTICE_VECTORS
4.04 0.0 0.0          
0.0 4.04 0.0         
0.0 0.0 4.041

ATOMIC_POSITIONS
Direct               
Al
0.0                   
4                    
0.00 0.00 0.00 1 1 1 
0.51 0.50 0.00 1 1 1 
0.50 0.00 0.51 1 1 1 
0.00 0.50 0.50 1 1 1
