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=1.4629945864938172 stress="-7.70387766533522 0.13167106701208608 3.0936963245278957 0.13167106701208608 -9.165113950475044 -0.054004335258825975 3.0936963245278957 -0.054004335258825975 -11.343011386204392" pbc="F F F" Hg -0.24820049 -0.00585195 0.24095189 -1.96542374 -3.27476156 -1.39696814 Hg 1.51200775 1.26814524 -0.09569811 3.88675911 1.97455560 -6.43388069 Hg 1.73531091 0.05810380 1.56375617 0.95826626 -2.51161087 3.33197964 Hg 0.11239099 1.78074167 1.30110463 -2.87960163 3.81181683 4.49886919