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=157.753937289 pbc="F T T" Hg -0.18184977 0.33351669 0.32515279 80 -81.09231592 -49.02517967 -42.14177923 Hg 1.69019325 1.62744034 0.29764470 80 66.59352812 7.48232522 -29.24738104 Hg 1.63250256 0.14345118 1.50274763 80 72.86846607 -17.93171768 25.87376671 Hg 0.11412224 1.28011711 1.63572127 80 -58.36967827 59.47457213 45.51539357