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=46914.74871423349 pbc="F T F" Rb 0.12561735 0.29577267 0.19985713 37 -109521.03220059 -76043.99236504 -19563.04256954 Rb 1.47772840 1.48863877 -0.08329169 37 96506.65873704 72269.81654563 -36859.64397372 Rb 1.58172953 0.04191768 1.64409328 37 78395.88647463 36122.33040010 21981.67584210 Rb 0.24073298 1.70906961 1.72570548 37 -65381.51301108 -32348.15458069 34441.01070117