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=325.34470771389357 stress="-27.307654307812385 -0.0018671535517064666 0.3453720203023102 -0.0018671535517064666 -28.091758543979925 -2.1746723506061314 0.3453720203023102 -2.1746723506061314 -26.276647663479086" pbc="T T T" Hg 0.00082602 0.24624097 0.14302402 -28.07302547 -57.52231413 -72.39933502 Hg 1.35498893 1.61042859 0.20947124 33.69728484 12.57686119 -57.87895005 Hg 1.35512851 0.05280714 1.41333883 28.98643581 -14.39718040 48.62518127 Hg 0.00144273 1.37241235 1.32230844 -34.61069518 59.34263335 81.65310380