16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-51.59030977581918 stress="9.725405889246498e-05 -5.174122257868068e-05 7.450914775586473e-05 -5.174122257868068e-05 0.00012653291876105083 -5.070528782356065e-05 7.450914775586473e-05 -5.070528782356065e-05 0.0005883823594958344" free_energy=-51.59030977581918 pbc="F F F" Ag 20.92515661 21.05784497 20.98566276 -1.55986882 -2.89811500 7.97805684 O 22.31443107 22.54376171 22.22051529 5.24976201 8.57900654 -4.55278424 Ag 24.29305142 20.80722932 20.76172667 0.21273298 0.55443433 0.77880423 Ag 25.60774784 22.38436473 22.73110688 -0.52158930 -0.94977884 -1.13418664 Ta 20.99816022 24.01283276 21.20071341 0.63199939 -1.45793318 4.11920661 Ta 22.32858036 25.64720807 22.58942344 -1.33975155 -4.75620182 1.49035655 Ag 23.81138294 24.05571692 20.71321713 -0.02650939 0.44753337 1.39907420 Ag 25.45123940 25.37106705 22.70384132 0.33847857 -0.33176484 -0.24263328 O 20.85828012 20.73214964 24.00041025 -3.01226788 -3.08794673 -5.06826550 O 22.75551247 22.35444624 25.49188881 2.16293550 2.02768097 -2.71359304 Ag 24.07176052 20.84620060 24.01821382 -0.27219822 -0.73267002 1.07963287 O 25.20575425 22.46963223 25.65586213 -1.25453608 1.34342698 -2.70100515 O 20.90395547 23.83226600 23.73049600 2.00125350 2.71574426 -3.94110898 Ta 22.78537783 25.45631248 25.74843919 0.40898031 -0.73136628 -0.62292897 Ta 24.14432661 23.76023492 24.24849743 -2.19812395 0.59971995 4.91852568 Ta 25.75911890 25.69019325 25.69877714 -0.82129707 -1.32176968 -0.78715119