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=3.145125984629793 pbc="F T T" Ru -0.00548572 -0.15873180 -0.15859300 44 -16.90010685 29.76641682 -18.73953220 Ru 1.31668137 1.41986395 -0.25603453 44 21.08029182 13.84350722 20.21065529 Ru 1.59073906 0.27219963 1.43381326 44 13.17543145 -22.19668619 -23.72292516 Ru 0.13132919 1.75978669 1.22592512 44 -17.35561641 -21.41323786 22.25180207