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=4.800204583336554 stress="-0.4348444142399925 -0.04612786441201793 -0.014722352738482703 -0.04612786441201793 -0.5988596417140968 0.08141238589188447 -0.014722352738482703 0.08141238589188447 -0.626453243688392" pbc="F T T" Ne 0.07034430 0.04852473 0.01848935 -3.95475809 0.83151031 0.83423276 Ne 1.41561068 1.63661615 -0.09519967 4.15439681 -3.66451214 3.40065563 Ne 1.37719504 -0.20130994 1.61041876 4.76746787 4.74836631 -3.18376533 Ne 0.08611608 1.53369179 1.52598936 -4.96710659 -1.91536449 -1.05112306