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=96.53322576327298 stress="-6.965035973344999 0.016735070111853725 3.2531516925851114 0.016735070111853725 -5.473515658216286 1.568558304693755 3.2531516925851114 1.568558304693755 -11.037178132617608" pbc="F F T" Au 0.29874826 0.05835534 -0.25354363 -94.01689950 -64.84144346 94.63077935 Au 1.48193431 1.42001865 0.20070203 57.23822762 52.63013237 -16.54333883 Au 1.20342959 0.28187239 1.51001192 115.79952946 -54.74750690 -75.92447465 Au 0.10170120 1.37793365 1.21986988 -79.02085758 66.95881799 -2.16296587