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=40.8679837201176 stress="-7.8243165008055975 -1.2296875187668486 -6.5031751308898285 -1.2296875187668486 -2.939030411759662 0.7347222599322669 -6.5031751308898285 0.7347222599322669 -9.503268974768666" pbc="T F T" Hg -0.18892763 0.18249012 -0.28808956 93.05707533 -36.46959312 139.79311897 Hg 1.16369499 1.48199035 -0.12124704 61.40568274 15.55020442 63.98916796 Hg 1.72708204 0.07973806 1.56900855 -110.55632529 -22.16420729 -116.67406917 Hg 0.08049146 1.50245675 1.62427034 -43.90643278 43.08359600 -87.10821776