ATOMIC_SPECIES
Si 1.00 ./Si_ONCV_PBE-1.2.upf
O 1.00 ./O_ONCV_PBE-1.2.upf


LATTICE_CONSTANT
1.88972613

LATTICE_VECTORS
5.1358423233 0.0 0.0 
0.1578526541 5.1334159104 0.0 
-2.646847675 -2.5667081359 3.5753437737 

ATOMIC_POSITIONS
Cartesian    # Cartesian(Unit is LATTICE_CONSTANT)

Si
0.0
2
2.534160450000 0.030408299300 1.663558130000 0 0 0
-0.077926340400 0.025648099500 0.078156331300 0 0 0
O
0.0
4
2.335552900000 1.443439680000 2.385575340000 0 0 0
2.235499200000 -1.041672760000 3.050688970000 0 0 0
4.032950660000 -0.087022289300 1.230442140000 0 0 0
1.505294970000 -0.122077649000 0.517874107000 0 0 0

NUMERICAL_ORBITAL
./Si_gga_8au_60Ry_2s2p1d.orb
./O_gga_7au_60Ry_2s2p1d.orb

NUMERICAL_DESCRIPTOR
./jle.orb
