4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=10.72307609774711 stress="-24.71006129638997 0.3403223436258218 -1.2285477202953583 0.3403223436258218 -23.16185879703558 0.3420513538681327 -1.2285477202953583 0.3420513538681327 -24.216865854964556" pbc="F F F" Na -0.14801295 -0.02432459 0.06329927 -9.88182834 -7.10410323 -9.41220155 Na 1.43745442 1.27846858 -0.00548572 7.08057074 8.70784165 -7.63564253 Na 1.34126820 -0.15859300 1.31668137 9.35265726 -9.87577204 8.56720044 Na -0.08013605 1.24396547 1.59073906 -6.55139966 8.27203362 8.48064364