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=88.96949360462612 stress="-7.244461009151994 -1.8399316806891524 -0.0319181356443828 -1.8399316806891524 -8.67596155096086 0.5524642750289597 -0.0319181356443828 0.5524642750289597 -5.433312656058631" free_energy=88.96949360462612 pbc="F T F" Cd 0.04852473 0.35348325 0.13661615 -102.34750031 -38.06903845 -60.30542476 Cd 1.40480033 1.15010476 0.11041876 86.66325908 51.17496757 -56.99118934 Cd 1.26735611 2.83533445 1.24148635 65.58498250 -16.28503173 62.43287537 Cd 0.08611608 1.53369179 1.52598936 -49.90074127 3.17910260 54.86373873