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=75.89426514689242 stress="-3.469818714579398 0.010697230597541442 -0.008548312276360062 0.010697230597541442 -1.2127676772490483 0.00040948399197896873 -0.008548312276360062 0.00040948399197896873 -3.513642908060296" free_energy=75.89426514689242 pbc="T F T" Cs -0.04210664 0.19178619 0.15463060 1.68452135 -11.76762793 -1.97110974 Cs 1.79140871 1.61455359 0.09583508 -2.09713674 13.96077349 -1.70589303 Cs 1.64904689 0.10609294 1.40349439 -1.83362814 -12.63661177 1.43005473 Cs -0.19401975 1.32157598 1.29208456 2.24624353 10.44346621 2.24694805