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=-63.0571486836217 pbc="T F T" S -0.02485031 -0.28498239 0.06836701 16 -37.36013649 7.04946404 39.25117334 S 1.18731478 1.69235654 -0.10517997 16 55.16872111 -1.49929170 -36.52601699 S 1.34119988 -0.10181276 1.79430645 16 44.32277561 10.65703085 -45.59764532 S 0.01436764 1.39150971 1.30280760 16 -62.13136023 -16.20720319 42.87248897