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=33.172070316235136 pbc="F T F" Hg 0.18576521 -0.29842683 0.24074778 80 -158.10988324 153.15568816 45.17736354 Hg 1.23570086 1.70853895 -0.28742238 80 151.63008843 -142.69414602 -76.87387728 Hg 1.30434270 -0.03012932 1.69515187 80 15.83827454 4.94898914 14.66687109 Hg -0.15103201 1.56181532 1.62888901 80 -9.35847973 -15.41053128 17.02964264