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:Z:I:1:forces:R:3 energy=-8.223215767264486 pbc="F T F" B -0.26955499 -0.11793221 -0.27354714 5 2.59802368 0.10793745 2.44867724 B 1.71901898 1.28643470 0.10565368 5 -3.20099629 -1.26637674 5.03817466 B 1.76723240 0.12123991 1.79720586 5 -4.22274185 1.94622744 -4.38754853 B 0.08885849 1.43317071 1.78408043 5 4.82571446 -0.78778815 -3.09930337