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=97.77831520727158 stress="-8.848685954789191 -0.14701054673544256 0.30219268602822436 -0.14701054673544256 -6.582993184800215 -0.44566807288032173 0.30219268602822436 -0.44566807288032173 -10.440156241571666" free_energy=97.77831520727158 pbc="T F T" Cd 2.95789336 0.19178619 0.17895518 36.15820637 -67.35217683 -32.30557911 Cd 1.79140871 1.61455359 0.03253581 -44.93615525 61.00311298 -7.63929571 Cd 1.64904689 0.10609294 1.46603997 -47.70592684 -68.92278902 18.28683027 Cd 2.80598025 1.32157598 1.51361598 56.48387572 75.27185287 21.65804454