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=84.1207261649 pbc="F T T" Ca -0.25271761 0.22817528 0.06304267 20 -32.79372714 -9.18791285 -10.91236766 Ca 1.70070203 1.20342959 -0.09914834 20 31.63795850 12.07130452 -3.81343573 Ca 1.49793547 0.13686132 1.36514043 20 26.46694278 -13.83751152 4.28946005 Ca 0.03734053 1.51504004 1.22448856 20 -25.31117413 10.95411985 10.43634335