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:Z:I:1:forces:R:3 energy=-1.71290886937 pbc="F T F" O -0.12606831 0.06071142 0.41055180 8 0.41115261 -2.29982822 -0.08700679 O 1.64302402 1.16924623 0.11042859 8 -0.07698395 0.02457537 0.19882809 O 1.70947124 -0.11209436 1.45252688 8 1.35047097 -0.54957022 -0.28691860 O -0.21299981 1.34655491 1.37241235 8 -1.68463964 2.82482307 0.17509730