ATOMIC_SPECIES
Al 27 Al_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
Al_gga_8au_100Ry_4s4p1d.orb
 
LATTICE_CONSTANT
1.00

LATTICE_VECTORS
5.41176 0.00000 0.00
0.00000 7.65339 0.00
0.00000 0.00000 25.0

ATOMIC_POSITIONS
Cartesian

Al
0.0
3
0.00000 0.000000 0.00000 1 1 1
2.70588 3.826695 2.70588 1 1 1
0.00000 0.000000 5.41176 1 1 1
