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=65.18950224708078 stress="-7.1921661004323685 0.3019513199091133 0.03242538441509869 0.3019513199091133 -5.130240577651056 -0.03706436036494545 0.03242538441509869 -0.03706436036494545 -4.948306869115869" free_energy=65.18950224708078 pbc="T F F" Cd 2.85198705 0.06329927 0.09073906 28.21007385 -61.66316799 -46.75856895 Cd 1.77219963 1.43381326 0.13132919 -33.85839572 53.20500587 -44.47892598 Cd 1.75978669 0.18365717 1.70288723 -28.13247700 -49.60736265 45.40156745 Cd 0.08343331 1.29585403 1.44809454 33.78079887 58.06552476 45.83592748