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=16.49949119229999 stress="-3.8160085092702536 0.2890369910555566 0.1411962010106016 0.2890369910555566 -2.8210236685570895 0.12158788357535065 0.1411962010106016 0.12158788357535065 -2.06449333258202" pbc="T F F" Hg -0.05353364 0.26123893 0.01176024 23.27680898 -35.66256778 -20.66735857 Hg 1.54198460 1.27543040 0.25501447 -24.41590402 44.92184873 -16.66224655 Hg 1.63439857 0.05371796 1.60309811 -12.96043569 -32.78212008 19.81258982 Hg -0.00025076 1.27324713 1.62538888 14.09953073 23.52283912 17.51701531