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=3.0476625471833607 stress="-49.19588068502326 19.111779595175943 -2.5666511322605317 19.111779595175943 -57.847692975823755 -10.463320934941436 -2.5666511322605317 -10.463320934941436 -48.13826517580344" pbc="F F F" Au -0.00103226 0.14093619 0.00500596 -12.11619161 -16.50707679 -21.06466911 Au 1.49226670 1.55085060 -0.06103317 11.09499468 8.31110635 -9.12329851 Au 1.35952193 0.00041301 1.62312049 25.27438193 -24.93561289 10.86986902 Au 0.07151201 1.42749447 1.55521430 -24.25318499 33.13158333 19.31809860