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=139.284851669 pbc="T F F" Hg 0.18699668 -0.05809009 0.10779678 80 -31.92987499 -94.72628798 -65.53639269 Hg 1.29224623 1.23214964 0.12077055 80 49.90670693 95.31705442 -97.13799311 Hg 1.71182495 0.10288542 1.49188881 80 5.39169276 -77.47123290 80.96740390 Hg 0.20915357 1.34620060 1.51821382 80 -23.36852471 76.88046646 81.70698190