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=25.486056982669133 stress="-2.5379814412654698 -0.8363714236950391 0.28884474513618313 -0.8363714236950391 -3.7520478511825006 0.3661707096579173 0.28884474513618313 0.3661707096579173 -1.3360034125317015" free_energy=25.486056982669133 pbc="T T T" O 0.19883905 -0.15932385 0.24342989 -6.26313007 1.80229253 -3.87688710 O 1.20537046 1.51945387 -0.05869996 4.49414262 -2.29320558 -0.39986953 Au 1.20330445 -0.22024588 1.24840012 38.39393687 30.11883345 -11.00904865 Au 0.24217457 1.54270730 1.63480683 -36.62494943 -29.62792041 15.28580528