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:forces:R:3 energy=31.471883173281817 stress="-798.7805750617175 -231.61286589918623 93.65436625226849 -231.61286589918623 -635.3938041225325 -16.26499528456867 93.65436625226849 -16.26499528456867 -504.8213445963038" pbc="F F F" Ca -0.17174679 0.13102478 0.09995250 -258.98938556 -251.07298640 -167.95738280 Ca 1.76120756 1.51193751 0.25226748 406.17477827 223.02094044 -248.74402243 Cd 1.46431997 0.04396501 1.57236142 54.68928528 -166.60584481 182.99364730 Cd 0.20379337 1.73854596 1.26922180 -201.87467799 194.65789077 233.70775793