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=51.79209419 stress="-25.481836816642428 9.323764408436347 0.7789566224011581 9.323764408436347 -21.607101922436318 0.8189515640515952 0.7789566224011581 0.8189515640515952 -16.682531281285513" pbc="F F F" In 0.23171545 0.18190327 -0.17816502 -15.47489757 -14.27463433 -19.17611560 In 1.71219253 1.42485375 0.12990665 20.35848883 19.58715139 -16.63046066 In 1.28220450 0.28278197 1.56210000 49.54574493 -53.58389297 22.16446426 In 0.13362859 1.32702941 1.57034430 -54.42933619 48.27137590 13.64211200