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=88.96951452372383 stress="-7.244460954392376 -1.8399271522974365 -0.0319216677227897 -1.8399271522974365 -8.675943298300556 0.5524483071596907 -0.0319216677227897 0.5524483071596907 -5.433308771244128" free_energy=88.96951452372383 pbc="F T F" Cd 0.04852473 0.35348325 0.13661615 -102.34753165 -38.06893468 -60.30548154 Cd 1.40480033 1.15010476 0.11041876 86.66321247 51.17446956 -56.99104241 Cd 1.26735611 2.83533445 1.24148635 65.58503228 -16.28457597 62.43279028 Cd 0.08611608 1.53369179 1.52598936 -49.90071310 3.17904109 54.86373367