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:Z:I:1:forces:R:3 energy=1053.096307996662 pbc="F F T" Ds 0.28076990 -0.21045675 0.19562372 110 -1014.45105967 -1350.86752269 -788.53805796 Ds 1.24212069 1.35107261 0.03795215 110 4238.85885442 981.09627891 -4400.59780986 Ds 1.73524225 -0.08539858 1.33171487 110 774.03310699 -231.06208896 620.06060991 Ds 0.18096561 1.33233539 1.23167967 110 -3998.44090173 600.83333274 4569.07525791