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=445705.920365 pbc="T F T" Xe -0.12354646 0.18925708 0.00505312 54 714977.11933514 -876770.01440033 3104.30653585 Xe 1.75494987 1.53099388 0.01499409 54 -1140881.24973682 797355.14570553 392189.43402605 Xe 1.52425007 0.04700612 1.46799258 54 -179585.52397425 -231048.65794158 75479.13294994 Xe -0.15351529 1.66140724 1.63482330 54 605489.65437593 310463.52663638 -470772.87351183