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=9.152216191011203 stress="-51.515359215877496 5.7306294731485306 -26.274541519703003 5.7306294731485306 -23.574309118841047 -2.2696391541135554 -26.274541519703003 -2.2696391541135554 -54.089694552214624" pbc="F F F" Hg -0.00064753 -0.01482139 0.19693369 -32.05213794 -3.71124228 -30.33407636 Hg 1.34812211 1.63440092 -0.02078525 7.42880722 2.96129846 -10.65322551 Hg 1.24480227 0.02479670 1.41231477 36.08203951 -10.52915577 29.97742745 Hg 0.29980163 1.67925131 1.58989122 -11.45870878 11.27909959 11.00987443