ATOMIC_SPECIES
H 1.008 H_ONCV_PBE-1.0.upf
O 15.9994 O_ONCV_PBE-1.0.upf

LATTICE_CONSTANT
1

LATTICE_VECTORS
10 0 0
0 10 0
0 0 10

ATOMIC_POSITIONS
Cartesian    # Cartesian(Unit is LATTICE_CONSTANT)

H
0.0
2
-23.196290411877 12.932693996280 6.850457923460 0 0 0
-24.006711594306 11.850811692381 9.324876689886 0 0 0
O
0.0
1
-22.515669775626 12.546754901616 8.620909072323 0 0 0

