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=84.210927708 pbc="F T T" Ca -0.25271761 0.22817528 0.06304267 20 -32.79417925 -9.18772179 -10.91200716 Ca 1.70070203 1.20342959 -0.09914834 20 31.63836975 12.07084012 -3.81319077 Ca 1.49793547 0.13686132 1.36514043 20 26.46728587 -13.83710649 4.28918429 Ca 0.03734053 1.51504004 1.22448856 20 -25.31147637 10.95398816 10.43601364