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=386.45237399631765 stress="-27.365211993360496 -8.106249797416764 12.394996369571746 -8.106249797416764 -30.93494031535642 -15.157549889351715 12.394996369571746 -15.157549889351715 -36.612543043634126" free_energy=386.45237399631765 pbc="T F T" U 2.88201197 0.22586561 0.29391194 226.32101025 -409.15232830 -523.47782987 U 1.44697821 1.31088111 2.76496786 -110.35143712 143.83097533 101.36397878 U 1.68220204 0.23573857 1.52724172 -467.22892885 -434.16975146 117.00908785 U 2.77538150 1.20296332 1.34887301 351.25935573 699.49110443 305.10476325