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=47.556996719266884 stress="-11.415827169666397 -1.648624331737202 1.2469815717875161 -1.648624331737202 -10.989865493416248 -0.703487858096779 1.2469815717875161 -0.703487858096779 -14.680305522161449" pbc="F F T" Cd 0.04376171 0.19273990 -0.19277068 -118.12043523 -141.22177549 51.83785297 Cd 1.26172667 1.55332204 -0.11563527 162.28687079 120.42604533 58.90363568 Cd 1.73110688 0.01283276 1.70071341 72.69180774 -65.85843081 -59.31898028 Cd 0.14720807 1.58942344 1.45706424 -116.85824330 86.65416097 -51.42250838