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=280.87902561198234 stress="-1241.272620346778 -495.4712114805573 -109.05768088011007 -495.4712114805573 -1695.4220610554246 751.8112776165854 -109.05768088011007 751.8112776165854 -1614.932894202716" pbc="F F F" Hs 0.11475044 -0.07650615 -0.07243330 -591.88588891 -389.67425753 -401.60032730 Hs 1.61112704 1.24831061 0.25431947 660.93688432 1048.62406852 -720.75143386 Hs 1.39358596 -0.14503361 1.58099246 158.52665003 -813.29586810 956.81070490 Hs -0.10290109 1.54617355 1.54906745 -227.57764544 154.34605711 165.54105625