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=116.58213173480513 stress="-10.535141511046621 1.0844477514509596 -0.5623014006100145 1.0844477514509596 -11.434279171482293 -0.024570701872816375 -0.5623014006100145 -0.024570701872816375 -10.987645254076662" free_energy=116.58213173480513 pbc="T T T" Cd 2.85540510 0.11115480 0.11044915 33.26241105 -36.92027734 -8.69790821 Cd 1.70960170 1.31143450 2.83833517 -53.44288413 17.13434072 6.76232872 Cd 1.28829595 2.71189181 1.64041416 -7.94867678 17.59068542 -13.04659299 Cd 2.77812781 1.47773705 1.32834452 28.12914986 2.19525121 14.98217249