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=80.8127165526 pbc="T F F" Cd 0.22747876 0.01273780 0.50381529 48 -145.44532623 -269.91722113 -437.70735499 Cd 1.55210001 1.46864501 0.45884013 48 181.84192450 287.54963312 -444.53883186 Ca 1.50736779 -0.17365795 1.23594820 20 296.79810128 -807.12909228 386.60521754 Ca 0.31714149 1.58352372 1.34376228 20 -333.19469954 789.49668029 495.64096931