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=132.2019703020421 stress="-14.337397536806398 -0.8713211000728107 -0.3666226525087771 -0.8713211000728107 -7.112970899772624 0.3584637113142866 -0.3666226525087771 0.3584637113142866 -8.404534858052909" pbc="T F F" Hg 0.09995250 0.26120756 0.01193751 20.69523650 -79.34687938 -70.10969927 Hg 1.75226748 1.46431997 0.04396501 -34.83912930 74.25862132 -72.75135070 Hg 1.57236142 0.20379337 1.73854596 -47.28670412 -90.41525698 63.07292009 Hg -0.23077820 1.28229695 1.52031036 61.43059693 95.50351504 79.78812988