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=46.207817260814025 stress="-214.54844147598877 3.6045084855357743 -19.33857513160494 3.6045084855357743 -210.25467550087626 1.0070324600367542 -19.33857513160494 1.0070324600367542 -207.14370585817045" pbc="F F F" W -0.14801295 -0.02432459 0.06329927 -88.83335878 -65.07344619 -84.52493458 W 1.43745442 1.27846858 -0.00548572 58.41036682 78.20475346 -61.87331276 W 1.34126820 -0.15859300 1.31668137 84.33610127 -89.14021519 75.62917823 W -0.08013605 1.24396547 1.59073906 -53.91310931 76.00890793 70.76906911