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=-12.442197743038982 pbc="T F F" Ru 0.14904689 -0.21908774 0.10609294 44 -7.32548934 -7.40876090 -10.99385059 Ru 1.46603997 1.30598025 -0.17842402 44 2.24981418 4.87379327 -6.80517201 Ru 1.51361598 -0.14801295 1.47567541 44 6.35625258 -4.15051226 11.56739881 Ru 0.06329927 1.43745442 1.27846858 44 -1.28057742 6.68547989 6.23162379