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=47.369954438902134 stress="-5.43015890766001 0.256465735437156 0.05322390464027223 0.256465735437156 -4.304324647660412 0.006548026887854078 0.05322390464027223 0.006548026887854078 -4.24574300372336" free_energy=47.369954438902134 pbc="T F F" Au 2.85198705 0.06329927 0.09073906 23.50397027 -51.79074392 -40.05075374 Au 1.77219963 1.43381326 0.13132919 -27.63589647 45.50024691 -38.06724425 Au 1.75978669 0.18365717 1.70288723 -23.24946480 -41.45369550 39.82192179 Au 0.08343331 1.29585403 1.44809454 27.38139100 47.74419252 38.29607620