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=9397.404202186372 stress="-1477.9188539550596 763.3968613990504 -252.0239684973502 763.3968613990504 -1561.4335804509255 -251.61676752081257 -252.0239684973502 -251.61676752081257 -1153.4517703101478" pbc="T F F" Xe 0.15839933 0.09073906 0.27219963 -4818.56693710 -14227.24878029 -18355.66917626 Xe 1.43381326 1.63132919 0.25978669 4420.98032067 3784.07533801 -5441.15653666 Xe 1.22592512 0.18365717 1.70288723 25087.07980592 -21348.53430593 12139.63688893 Xe 0.08343331 1.29585403 1.44809454 -24689.49318950 31791.70774821 11657.18882399