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:Z:I:1:forces:R:3 energy=104.418282419 pbc="F T F" Hg 0.25837050 0.24006894 -0.05853576 80 -67.60555337 -16.98271241 -56.16984594 Hg 1.60338854 1.49554554 -0.06052241 80 63.99775767 8.52954917 -52.64671386 Hg 1.42518197 -0.25336477 1.48702489 80 76.22879637 32.58378503 55.25467909 Hg 0.22953582 1.51307683 1.67061300 80 -72.62100067 -24.13062179 53.56188072