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=24.881660794722304 pbc="T T F" Hg -0.26649528 -0.21108155 0.28744088 80 -0.71659694 8.76961066 -31.97904677 Hg 1.37637403 1.61098322 -0.11668837 80 -7.92503333 -11.17522307 -17.74028163 Hg 1.20317956 0.17031618 1.19843491 80 54.10871961 -44.15807767 16.90932152 Hg 0.28788649 1.50409735 1.59729785 80 -45.46708934 46.56369008 32.81000688