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=3.753011757510432 pbc="T F F" Hg -0.22500709 0.23445577 0.26872452 80 10.22165112 -15.14899382 -3.31191027 Hg 1.47810766 1.53626675 -0.05355119 80 -7.98828034 12.32958973 -6.34659900 Hg 1.35909010 -0.17893932 1.73905331 80 -0.67673502 -2.02204068 3.56120872 Hg 0.21539531 1.73085657 1.57749478 80 -1.55663576 4.84144477 6.09730055