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=67.60075828716647 stress="-4.003102760156085 -0.06183054546766697 0.719583864487424 -0.06183054546766697 -3.925525520576627 0.2473488582334018 0.719583864487424 0.2473488582334018 -6.323407779267157" free_energy=67.60075828716647 pbc="F F T" Au 0.29874826 0.05835534 2.74645637 -43.91823576 -47.00291226 7.40719013 Au 1.48193431 1.42001865 0.20070203 42.29250755 38.75031282 -12.49625979 Au 1.20342959 0.28187239 1.51083794 52.97514688 -38.62408813 -3.30442552 Au 0.10170120 1.37793365 1.21904386 -51.34941867 46.87668757 8.39349518