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=-51.54551596491668 stress="0.0003647692811166137 -5.977381923946201e-05 2.626123101300424e-05 -5.977381923946201e-05 0.00048606414423477286 -4.9102894128940475e-05 2.626123101300424e-05 -4.9102894128940475e-05 0.0002787114951753868" free_energy=-51.54551596491668 pbc="F F F" Ti 21.01221188 21.09411584 21.24086355 1.77922709 4.18836688 1.23333766 O 22.62234038 22.34259551 22.49780681 -1.52187185 -6.90722573 -0.85388364 Ti 24.21694257 20.72553795 21.12107699 -1.34319198 1.74588998 1.70437149 Ti 25.22318866 22.54981513 22.54193268 -5.62658239 2.85882203 0.76377306 O 21.00380522 23.64482763 21.17244087 -1.20155175 -0.63461004 -1.26351069 Ti 22.53317569 25.74037075 22.30039698 2.20379604 -5.65075039 1.59783277 O 23.95748709 24.01197821 21.34795218 1.60597199 -0.04699273 -0.74157734 O 25.57382757 25.73791623 22.69521388 0.76680322 0.25763791 1.82072844 Ti 21.08705518 21.01595141 23.77589069 2.58144367 3.21763799 -1.20920705 Ti 22.38635199 22.44482647 25.74404172 0.84463035 1.53883747 -3.96159789 O 24.03902512 21.11940476 24.26304193 1.68353255 2.67853540 1.38642254 Ti 25.51321109 22.71097904 25.22147108 -3.14811724 -1.03209874 -2.16137529 O 20.86821363 23.79303810 24.03585619 -0.39454457 -2.43790707 1.45907086 O 22.26080686 25.69460637 25.33383177 0.38886559 0.97613971 0.51540796 O 23.82433566 24.17928512 23.92570064 4.08305911 -0.86159642 3.23728258 Ti 25.62853427 25.02161179 25.28782022 -2.70146983 0.10931375 -3.52707545