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=8.588971571211982 stress="-3.5699597090616653 0.008384988312004127 -0.6490158383149839 0.008384988312004127 -2.884105063587618 -0.1241829347684134 -0.6490158383149839 -0.1241829347684134 -3.1015206447418624" pbc="T F F" W 0.07826495 0.12033173 0.17828948 -0.26813345 -35.73572107 -25.98611257 W 1.71182891 1.29301824 0.07255377 -11.98067479 27.40316355 -32.10346836 W 1.35811107 0.01258782 1.66911338 2.84951533 -20.61299330 28.75562743 W -0.19545900 1.62365747 1.45588739 9.39929291 28.94555083 29.33395350