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=35.84461040536392 stress="-121.4438038041702 -12.784559775137009 -5.041363830724464 -12.784559775137009 -82.20488182475566 8.97132754627701 -5.041363830724464 8.97132754627701 -122.84149102090062" pbc="F F F" Zr 0.22586561 0.29391194 -0.27385471 -38.95059258 -40.33978834 -46.95392570 Zr 1.52103145 1.27761356 0.18220204 54.06945049 57.27688150 -32.19887944 Zr 1.39362841 0.23573857 1.52724172 27.56321879 -42.65627907 50.92012437 Zr -0.22461850 1.20296332 1.34887301 -42.68207669 25.71918590 28.23268077