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=27.13796083229591 stress="-30.48787925589042 2.2370737729593744 -0.2601457962030196 2.2370737729593744 -160.37114367854363 37.209203283367984 -0.2601457962030196 37.209203283367984 -164.55841751089145" pbc="F F F" Hg -0.03283444 0.03920076 0.21023516 -8.59162053 -52.29544025 -55.06530695 Hg 1.58410511 1.22969246 0.17936379 7.26819449 88.06896075 -86.36099351 Hg 1.58418995 0.08863145 1.31782475 11.16727363 -87.25531823 88.76024858 Hg -0.10169921 1.20153133 1.41751017 -9.84384759 51.48179773 52.66605187