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=45.03256278021777 stress="-91.55344486651936 -5.0940837351807655 -0.8364306353414186 -5.0940837351807655 -107.23571636011789 -20.596448421415396 -0.8364306353414186 -20.596448421415396 -88.79020669018232" pbc="F F F" Hg -0.28095614 0.00082602 0.24624097 -27.74314026 -50.24572284 -42.18510197 Hg 1.64302402 1.35498893 0.11042859 27.20677530 24.74044235 -29.26906963 Hg 1.70947124 -0.14487149 1.55280714 21.77118782 -26.42432370 24.08862141 Hg -0.08666117 1.34655491 1.37241235 -21.23482286 51.92960420 47.36555018