ATOMIC_SPECIES
Mo 1.00 Mo_ONCV_PBE-1.0.upf
S 1.00 S_ONCV_PBE-1.0.upf


LATTICE_CONSTANT
1.88972613

LATTICE_VECTORS
3.1903157234 0.0 0.0 
-1.5951578617 2.7628944626 0.0 
0.0 0.0 14.8790035248 

ATOMIC_POSITIONS
Cartesian    # Cartesian(Unit is LATTICE_CONSTANT)

Mo
0.0
2
0.029027168000 1.784347725000 3.608837876000 0 0 0
1.660723717000 1.002844149000 11.140101332000 0 0 0
S
0.0
4
1.561446854000 1.061209471000 5.316422735000 0 0 0
0.082013669000 1.868596936000 12.638587707000 0 0 0
1.592155903000 0.839435772000 2.071206131000 0 0 0
-0.012459422000 1.814452282000 9.540172847000 0 0 0

