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=3.59239129493 stress="-17.92243915175318 -2.073340069256184 -2.892762057871954 -2.073340069256184 -21.969963479992618 -3.647690006960723 -2.892762057871954 -3.647690006960723 -17.016003697297165" pbc="F F F" W -0.14312801 -0.02335587 0.24122900 -45.56485539 -57.71682284 -47.45459288 W 1.52201293 1.31634348 -0.07465759 28.77634477 27.17153873 -24.45802523 W 1.48566276 -0.18556893 1.54376171 29.81211564 -16.83338422 37.61150514 W -0.27948471 1.69273990 1.30722932 -13.02360502 47.37866834 34.30111298