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=13.578500964740908 stress="-13.662778207074407 0.004920299524871163 0.2784468026142557 0.004920299524871163 -12.121420323917235 0.0059261111020907364 0.2784468026142557 0.0059261111020907364 -12.935997408063088" pbc="F F F" Na -0.14801295 -0.02432459 0.06329927 -5.16435503 -3.84928845 -4.72341599 Na 1.43745442 1.27846858 -0.00548572 4.29571432 4.55408787 -4.30014411 Na 1.34126820 -0.15859300 1.31668137 4.77914900 -5.04954056 4.16967949 Na -0.08013605 1.24396547 1.59073906 -3.91050829 4.34474114 4.85388061