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ATOMIC_SPECIES
Na 22.98976928 Na_ONCV_PBE-1.0.upf
Cl 35.453 Cl_ONCV_PBE-1.0.upf
NUMERICAL_ORBITAL
Na_gga_9au_100Ry_4s2p1d.orb
Cl_gga_8au_100Ry_2s2p1d.orb
LATTICE_CONSTANT
1.8897261254578281
LATTICE_VECTORS
5.6903014761756712 0.0000000000000000 0.0000000000000000
0.0000000000000000 5.6903014761756712 0.0000000000000000
0.0000000000000000 0.0000000000000000 5.6903014761756712
ATOMIC_POSITIONS
Direct
Na
0.0
4
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 0.5000000000000000 0.5000000000000000
0.5000000000000000 0.0000000000000000 0.5000000000000000
0.5000000000000000 0.5000000000000000 0.0000000000000000
Cl
0.0
4
0.5000000000000000 0.5000000000000000 0.5000000000000000
0.5000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 0.5000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 0.5000000000000000
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