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=223.2732133888758 stress="-21.464329279633073 -1.2894628910856956 -0.5556895969582788 -1.2894628910856956 -11.839960562300645 1.7764325968539187 -0.5556895969582788 1.7764325968539187 -20.379674450574022" pbc="T F T" Hg 0.29391194 0.02103145 -0.04131534 -25.60382999 -108.39571299 -21.57138912 Hg 1.51045526 1.39362841 0.23573857 6.64877053 145.14118287 -77.20130780 Hg 1.65826650 0.22083292 1.28984966 0.73602626 -143.05456261 66.94023270 Hg -0.01264569 1.42299150 1.40698366 18.21903320 106.30909273 31.83246422