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=62.73946746028866 stress="-134.74368965228612 3.5259160460696366 -3.7967507770474214 3.5259160460696366 -99.14555990015931 0.6856856221774095 -3.7967507770474214 0.6856856221774095 -133.6837371377506" pbc="F F F" Hg 0.04852473 0.05473499 -0.08438932 -47.53218175 -32.20202951 -54.80667929 Hg 1.63661615 1.40480033 -0.12280496 33.45689244 40.82785839 -34.56081209 Hg 1.29869006 0.11041876 1.26735611 57.82039590 -47.97414223 53.12089555 Hg -0.16466555 1.24148635 1.58611608 -43.74510659 39.34831334 36.24659583