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=14.01991815686609 pbc="F T T" Hg 0.06435092 0.10966084 -0.19055689 80 -22.76267683 -32.47781940 -13.24378080 Hg 1.25145117 1.36103070 0.25688694 80 55.68461992 26.77933031 -17.65586370 Hg 1.78304244 0.09992639 1.71785716 80 7.14372957 -5.86998888 -0.88044707 Hg -0.19483397 1.32266836 1.21585970 80 -40.06567266 11.56847797 31.78009157