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=-52.12367158518029 stress="-0.00012794485466805793 -1.3535280450496148e-05 -0.00011069946948832932 -1.3535280450496148e-05 0.00029342310192268764 -8.754766507971593e-05 -0.00011069946948832932 -8.754766507971593e-05 6.839910121600802e-05" free_energy=-52.12367158518029 pbc="F F F" Ta 20.84674594 21.05332204 20.88436473 -1.59702758 5.48726172 2.69959578 O 22.73110688 22.49816022 22.51283276 5.09366599 3.59980343 1.74854256 O 24.20071341 20.89461425 21.15414163 0.83575164 0.58778650 0.64246416 Ag 25.58942344 22.45706424 22.77559981 -0.98488676 -3.72784776 3.06247854 Ag 20.87823466 24.21736445 21.01184856 -2.28620408 -5.66525244 -2.25530409 Ta 22.70384132 25.29224623 22.23214964 -1.80322982 -7.25219211 -2.89392993 O 24.00041025 24.25551247 20.85444624 -1.34857728 3.40780768 1.23525427 Ag 25.42055201 25.56438571 22.38934026 0.96341089 0.18353351 -0.85253038 Ag 20.96653565 20.70575425 24.22943577 -0.33682524 -1.73192242 -3.57279479 Ta 22.65586213 22.40395547 25.33226600 -2.43942885 4.83683824 3.54101793 Ta 23.73049600 21.12036030 23.95631248 -0.75412975 -3.21131259 -7.07303008 O 25.74843919 22.64432661 25.26023492 1.30788512 1.29817458 -1.37107209 Ag 21.21516985 24.53055782 24.09314663 -1.86343370 -0.37108747 -0.23281799 O 22.69877714 25.53399510 25.37913779 4.99950067 0.71836600 1.11986689 Ag 24.10031152 24.05442580 23.85431870 3.63268854 2.55039291 4.91827909 Ta 25.28011711 25.63572127 25.54494020 -3.41915978 -0.71034978 -0.71601985