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=646.5929433365089 stress="-148.64517823920139 20.209486326875176 78.41335676399473 20.209486326875176 -72.33454030842083 -12.966140603109327 78.41335676399473 -12.966140603109327 -155.52938414060085" pbc="T F T" Ds 0.03878401 0.28325304 -0.22768622 -2109.03561224 -529.11802812 2024.99781660 Ds 1.49284402 1.69151086 -0.17206192 37.06534896 553.36986009 102.22679365 Ds 1.20683201 0.23185933 1.57079002 2439.62534874 -901.54869554 -2199.65173744 Ds -0.05683501 1.56834965 1.24241041 -367.65508546 877.29686358 72.42712720