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=89.17798753401033 stress="-170.42033056438063 11.645339709048162 -5.506638360909207 11.645339709048162 -171.318887659065 4.153150551974264 -5.506638360909207 4.153150551974264 -140.62655979345385" pbc="F F F" Hg -0.08338442 -0.03487808 0.22586561 -60.22641450 -48.00461430 -53.45997029 Hg 1.79391194 1.22614529 0.02103145 52.30763121 35.96606542 -59.97143197 Hg 1.27761356 0.18220204 1.39362841 66.89510744 -79.66990497 78.60081313 Hg 0.23573857 1.52724172 1.27538150 -58.97632416 91.70845385 34.83058913