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=1.0316559940922223 stress="-4.5795570274544515 0.640068498415828 0.4747545669041857 0.640068498415828 -5.494802559185051 -0.040374971701791385 0.4747545669041857 -0.040374971701791385 -4.105323154451603" pbc="F F F" Ne -0.06254558 -0.22153142 -0.00548572 -1.65826131 -1.29635886 -0.78079609 Ne 1.34126820 1.34140700 -0.18331863 1.71466775 1.19285532 -1.57654805 Ne 1.41986395 -0.25603453 1.59073906 1.90941251 -2.04699449 0.82717189 Ne 0.27219963 1.43381326 1.63132919 -1.96581895 2.15049803 1.53017225