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=10.082982935751838 stress="-18.321617774458886 0.2937952381835899 -1.1262855457422356 0.2937952381835899 -17.3334392714484 0.2937043926375278 -1.1262855457422356 0.2937043926375278 -18.060604890302244" pbc="F F F" Na -0.14801295 -0.02432459 0.06329927 -7.39429510 -5.28725628 -7.08823711 Na 1.43745442 1.27846858 -0.00548572 5.16428715 6.51685356 -5.64438380 Na 1.34126820 -0.15859300 1.31668137 7.02294439 -7.41702626 6.48022625 Na -0.08013605 1.24396547 1.59073906 -4.79293644 6.18742899 6.25239466