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=2.5796937790648045 pbc="F F T" Hg 0.14048332 0.09358670 -0.14597999 80 -12.90735992 -2.22099956 11.36450240 Hg 1.71597299 1.68121991 0.07080947 80 1.70897368 1.77887838 0.13112255 Hg 1.51222377 -0.04625987 1.59143846 80 12.67793141 -2.65285275 -9.88180287 Hg -0.06226180 1.71852517 1.55186006 80 -1.47954517 3.09497393 -1.61382208