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=57.227978068 pbc="F T T" Rb -0.21707836 -0.01739693 -0.13780739 37 -11.21610839 -1.00140349 0.43823666 Rb 1.55835534 1.24645637 0.22817528 37 11.08322594 2.95525379 -2.57134069 Rb 1.42001865 0.34372605 1.05841852 37 9.29627244 -3.24520564 2.46505905 Rb 0.01128025 1.35306398 1.69521122 37 -9.16339000 1.29135533 -0.33195501