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=94.73360122268492 stress="-5.488359263768517 -0.8649956740261754 1.1879419552788142 -0.8649956740261754 -10.204991939714779 1.17071640674163 1.1879419552788142 1.17071640674163 -9.568479076790965" free_energy=94.73360122268492 pbc="F T T" Cd 0.22094491 0.23171545 0.18190327 -51.72976707 0.24433464 -13.73818726 Cd 1.32183498 1.71219253 2.92485375 51.25437471 -43.57867674 29.96757398 Cd 1.62990665 2.78220450 1.78278197 58.57596852 49.88731023 -43.14524051 Cd 0.06210000 1.70397289 1.32702941 -58.10057616 -6.55296813 26.91585380