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=19.827046117184246 stress="-4.619944972025174 -1.3572319362889862 -1.813109966799459 -1.3572319362889862 -2.2808068127580485 -0.7956236867649134 -1.813109966799459 -0.7956236867649134 -2.6960370410820733" free_energy=19.827046117184246 pbc="F T F" Ag 0.18102060 0.01556730 0.19449984 -73.73745362 -40.81735580 -51.55414088 Ag 1.78380155 1.30656208 0.29600682 20.21321984 27.88438907 -22.35213303 O 1.20116975 0.13029344 1.24074451 90.06477973 -7.63365299 82.99252193 Ta 0.16838664 1.23875427 1.48970781 -36.54054595 20.56661972 -9.08624803