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=123.70257360148554 stress="-6.9818649639996755 -1.1187752721777118 0.160394605296886 -1.1187752721777118 -13.517998843883456 -0.9522105922477879 0.160394605296886 -0.9522105922477879 -7.932272856357336" pbc="F T F" Hg 0.07327937 0.19989723 0.12961200 -65.32603136 -5.10569242 -57.90096757 Hg 1.37425859 1.65720406 0.29768454 74.03424103 -13.49516435 -88.74318471 Hg 1.48273691 -0.13934333 1.67089611 76.89372989 36.25657123 68.33571955 Hg 0.26235339 1.56049828 1.71005355 -85.60193957 -17.65571447 78.30843273