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=-0.8788394125988775 stress="0.036752417661192464 0.003285968583576853 -0.0004395099634795435 0.003285968583576853 0.07081845817625819 0.01797815725017565 -0.0004395099634795435 0.01797815725017565 0.09099763315191582" pbc="F T T" user08 0.26382682 -0.24511718 -0.08534868 0.30321451 -0.32455658 -0.38708892 user08 1.79482628 1.29664622 0.04629219 -0.32426939 -0.35694243 -0.30360502 user08 1.70123398 0.27717398 1.70844058 -0.31272278 0.35044260 0.36326097 user08 0.12496474 1.68307189 1.62217827 0.33377765 0.33105642 0.32743297