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=238.43696145975133 stress="-13.508972510016461 -1.9444652408388419 0.6226333588022128 -1.9444652408388419 -22.118955140544703 0.07659963385549838 0.6226333588022128 0.07659963385549838 -19.857704874213816" pbc="F T T" Hg 0.18745344 0.02015752 -0.12029223 -106.86646764 44.77725168 84.76011958 Hg 1.77711528 1.56414923 -0.24786923 118.78565050 -39.34403925 46.91362156 Hg 1.23125112 -0.28175649 1.63616082 159.06826042 104.15180671 -89.86714185 Hg 0.12968218 1.71980528 1.79977655 -170.98744328 -109.58501914 -41.80659929