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=15.409656067847212 stress="-34.20329938755315 4.846868931725505 -2.3849016700804277 4.846868931725505 -36.58433104259413 1.6553275958694726 -2.3849016700804277 1.6553275958694726 -29.444949623889983" pbc="F F F" S -0.08338442 -0.03487808 0.22586561 -11.77967429 -9.10675601 -11.39382200 S 1.79391194 1.22614529 0.02103145 9.38607297 7.21990649 -12.31765207 S 1.27761356 0.18220204 1.39362841 15.18320891 -18.23914617 17.22078829 S 0.23573857 1.52724172 1.27538150 -12.78960758 20.12599569 6.49068577