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=97.0866455050797 stress="-9.51945945376825 0.26327965096875094 -0.16011989626706566 0.26327965096875094 -7.0807408586504685 1.5795364631483495 -0.16011989626706566 1.5795364631483495 -6.760300835362038" pbc="T F F" Cs 0.08343331 0.22094491 0.23171545 -44.44194526 -51.99050711 -65.61664168 Cs 1.50893269 1.32183498 0.21219253 30.54064167 106.66942785 -89.98099090 Cs 1.42485375 0.12990665 1.28220450 41.45686313 -102.69675048 106.31864953 Cs 0.28278197 1.56210000 1.63362859 -27.55555953 48.01782974 49.27898305