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=3726.2571510428056 stress="-549.2933825313854 332.8471800297557 -124.01479939714967 332.8471800297557 -811.5496697971458 -20.11586022230693 -124.01479939714967 -20.11586022230693 -391.5852096471779" pbc="F T F" Lr 0.06775094 -0.17011004 0.07261488 -2824.42023401 -852.41399714 -5388.69989681 Lr 1.70938169 1.53278630 0.11199409 2234.19409734 -829.12215241 -1551.31672583 Lr 1.20294674 -0.10530978 1.66801926 9969.35951783 -6840.82106460 5167.37977684 Lr 0.08416775 1.23437641 1.42079286 -9379.13338116 8522.35721416 1772.63684580