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

NUMERICAL_ORBITAL
../../integrate/tools/PP_ORB/O_gga_6au_60Ry_2s2p1d.orb
../../integrate/tools/PP_ORB/H_gga_6au_60Ry_2s1p.orb

NUMERICAL_DESCRIPTOR
jle.orb

LATTICE_CONSTANT
1.8897259886

LATTICE_VECTORS
14.81696297 0.0 0.0 
0.0 14.81696297 0.0 
0.0 0.0 14.81696297 

ATOMIC_POSITIONS
Cartesian    # Cartesian(Unit is LATTICE_CONSTANT)

O
0.0
3
2.878310400000 4.274955000000 1.070950300000 0 0 0
4.018543700000 6.718564000000 1.865502500000 0 0 0
0.997704900000 2.830705600000 2.501652200000 0 0 0
H
0.0
6
2.624684600000 4.774012000000 0.428341980000 0 0 0
3.727430600000 5.823713300000 1.869262900000 0 0 0
4.966154000000 6.815443000000 1.698307300000 0 0 0
2.130023700000 3.939132500000 1.465000300000 0 0 0
0.407354380000 2.997941700000 3.237452300000 0 0 0
0.855936100000 1.865764400000 2.561285500000 0 0 0

