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=103.08026910282308 stress="-4.434603402746268 1.3624299429079754 -0.07510958321503994 1.3624299429079754 -11.831866779108278 -0.2934086369139581 -0.07510958321503994 -0.2934086369139581 -4.462540589167917" pbc="F T F" Cd 0.07473240 -0.23989221 0.05926218 -60.50153311 19.09679542 -37.15914213 Cd 1.22754451 1.73715536 0.02704010 53.34307071 -22.76354258 -42.16085469 Te 1.28209294 -0.01343277 1.48688953 53.19267199 -10.22847460 37.42594771 Te 0.20470050 1.27493780 1.62749873 -46.03420959 13.89522175 41.89404911