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=119.040699025 pbc="F F T" Hg 0.37902888 -0.08397207 -0.17769535 80 -86.67134863 -55.29031757 -30.88912416 Hg 1.78460712 1.25346517 -0.00217507 80 63.53000203 62.83905318 -12.51108680 Hg 1.27715687 -0.16418421 1.22500719 80 80.34612332 -67.04245805 35.44927030 Hg -0.10001505 1.29546282 1.22069852 80 -57.20477672 59.49372244 7.95094066