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:forces:R:3 energy=5.180860767847807 stress="-30.28055612018647 -11.27909399121657 -2.5031988260297506 -11.27909399121657 -31.559195991725883 -0.5704307262952213 -2.5031988260297506 -0.5704307262952213 -16.75908083134665" pbc="F F F" Hg 0.17095494 -0.06105332 -0.17177392 -13.85041365 -16.12699026 -6.76771078 Hg 1.39135637 1.26478009 0.18294792 16.30870397 18.98352066 -3.08719735 Hg 1.39739594 -0.04149743 1.69783965 6.07679249 -8.20041768 6.14853467 Hg -0.17169702 1.16475408 1.54386360 -8.53508281 5.34388728 3.70637345