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=122.614172277 pbc="T T T" Ca 0.23211146 0.03174417 -0.00842802 20 -185.61295222 -348.83840381 -196.77117306 Cd 0.79737131 0.78238783 0.28935443 48 292.10129905 337.46779109 -99.10539136 Ca 0.61810690 0.08143681 0.63411376 20 210.18352297 -247.83230724 -8.73454629 Cd -0.00979164 0.54640878 0.96456242 48 -316.67186980 259.20291995 304.61111071