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=5.768321640416013 stress="-3.67724033552268 0.19463592364333535 -0.10682333552869477 0.19463592364333535 -3.0015216427731928 -0.38655654177708104 -0.10682333552869477 -0.38655654177708104 -2.101619768091194" free_energy=5.768321640416013 pbc="T T F" Ag 0.15093924 0.21970630 0.14526935 -18.51629507 -19.53929502 -9.53887750 Ag 1.46394802 1.57797747 0.26599513 17.79571517 12.83254638 -30.29774910 O 1.67918122 0.05957798 1.37415878 1.19381670 4.66451896 3.64732453 Ta 2.89920293 1.48841490 1.69045800 -0.47323680 2.04222968 36.18930206