ATOMIC_SPECIES
O 1.00 ../../PP_ORB/O_ONCV_PBE-1.0.upf
H 1.00 ../../PP_ORB/H_ONCV_PBE-1.0.upf

LATTICE_CONSTANT
1

LATTICE_VECTORS
10 0 0 
0 10 0 
0 0 10 

ATOMIC_POSITIONS
Direct    # Cartesian(Unit is LATTICE_CONSTANT)

O
0.0
1
-0.8820276468984 0.0556117645521 0.5787060818012 1 1 1
H
0.0
2
-0.7356630073377 0.1707819477768 0.5851375127279 1 1 1
-0.8315809397290 -0.0230736998458 0.4235868438293 1 1 1

NUMERICAL_ORBITAL
../../PP_ORB/O_gga_6au_60Ry_2s2p1d.orb
../../PP_ORB/H_gga_6au_60Ry_2s1p.orb

NUMERICAL_DESCRIPTOR
jle.orb
