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=154.63859752984263 stress="-8.138294534521926 0.9901232026302283 1.0476944113312707 0.9901232026302283 -14.551064218739425 1.0297963117969604 1.0476944113312707 1.0297963117969604 -16.308021655899086" pbc="F T T" Cd 0.23171545 0.18190327 -0.17816502 -76.65023416 -27.77112211 41.39666636 Cd 1.71219253 1.42485375 0.17843139 73.29205405 19.68441829 -8.28201121 Cd 1.28220450 0.28278197 1.56210000 97.12561327 -47.95717590 -16.78124525 Cd 0.13362859 1.32702941 1.57034430 -93.76743316 56.04387972 -16.33340991