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=3015.8030498059597 pbc="T F T" Ru -0.10303596 0.16468901 0.28777027 44 -1069.97971731 -5377.15150863 -6754.35452338 Ru 1.29351842 1.75028592 0.06287727 44 1593.88604788 1877.66550167 -1760.25937447 Ru 1.37758090 0.28932651 1.38660312 44 3079.52572387 -3968.25227231 3427.48007620 Ru 0.02590466 1.46716675 1.44777785 44 -3603.43205443 7467.73827927 5087.13382165