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=97.7783334195946 stress="-8.84868497050499 -0.1469962061617864 0.30220020702626055 -0.1469962061617864 -6.582982835192471 -0.44566192471272026 0.30220020702626055 -0.44566192471272026 -10.440156647792856" free_energy=97.7783334195946 pbc="T F T" Cd 2.95789336 0.19178619 0.17895518 36.15838047 -67.35216562 -32.30556377 Cd 1.79140871 1.61455359 0.03253581 -44.93626652 61.00323465 -7.63907694 Cd 1.64904689 0.10609294 1.46603997 -47.70579694 -68.92254021 18.28700532 Cd 2.80598025 1.32157598 1.51361598 56.48368298 75.27147118 21.65763539