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=12.139166230293512 stress="-0.7534851108872334 -0.279992440858775 0.13191688955302402 -0.279992440858775 -3.012409466587388 2.1469621204244724 0.13191688955302402 2.1469621204244724 -2.6332654981653616" pbc="F T F" Hg 0.12360486 -0.09380600 0.26664297 -1.67065529 52.99978541 -54.86423404 Hg 1.66707974 1.40291672 0.16612385 6.22249714 -1.17696814 -5.13942109 Hg 1.66706282 -0.15718314 1.76411387 6.53795026 3.96056110 4.91970028 Hg 0.06510254 1.69799359 1.41424486 -11.08979212 -55.78337837 55.08395486