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=20.081156343491834 stress="-3.1162874716234836 0.003178554563258674 0.07321669318457885 0.003178554563258674 -3.4804685331661043 -1.0127462323777172 0.07321669318457885 -1.0127462323777172 -3.7563333399936805" pbc="F F T" Hg 0.23960117 0.05215296 -0.00804561 -30.92975021 -22.61810891 28.77141139 Hg 1.49583504 1.44292281 -0.21248807 29.92908983 49.21136389 43.74772250 Hg 1.47038640 0.10329874 1.70095315 34.05490568 -47.87758564 -48.94046675 Hg 0.09960250 1.36672121 1.63903254 -33.05424530 21.28433066 -23.57866714