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=14216606.311919548 pbc="T T T" Ru -0.21710789 0.15829177 -0.12224192 44 -55435108.75971471 -56507922.77590445 -126598611.40186892 Ru 0.78391311 0.61117569 0.01014388 44 24116268.49562285 9468870.05694657 -21599027.59063632 Ru 0.83757967 -0.05577184 0.79789968 44 14231252.30115471 -13177605.57240407 8733126.29925827 Ru 0.07306963 0.46132051 0.56663917 44 17087587.96293709 60216658.29136185 139464512.69324684