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=32.8848121458 pbc="T F F" Rb 0.00710170 -0.10737673 0.05013808 37 -0.54050292 -6.69170159 -5.88296439 Rb 1.39743445 1.63362859 -0.08685450 37 0.65531454 5.90162064 -6.75163402 Rb 1.29364079 0.01227909 1.55473499 37 0.79415476 -5.95156006 6.71692455 Rb 0.21435895 1.63661615 1.40480033 37 -0.90896639 6.74164100 5.91767386