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=184.19130010665813 stress="-10.573773125255807 -0.21959071677014735 1.1015507576071148 -0.21959071677014735 -10.533169927593756 0.3100791372686918 1.1015507576071148 0.3100791372686918 -17.048604994838083" pbc="F F T" Hg 0.29594673 0.15710459 -0.00957146 -100.23132767 -115.84531846 -61.74603927 Hg 1.35687199 1.47664413 0.24122900 134.68082878 131.79434110 -79.62913784 Hg 1.52201293 0.04376171 1.22051529 104.60616785 -101.96629383 52.15600905 Hg 0.19273990 1.30722932 1.26172667 -139.05566896 86.01727119 89.21916806