16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-25.1799314232 stress="-0.3150930898551595 -0.0663466619534164 -0.009210930767240671 -0.0663466619534164 -0.45302919846547696 -0.03181013878446401 -0.009210930767240671 -0.03181013878446401 -0.4805761006897155" pbc="F F F" Ti 0.14015526 -0.12496328 -0.09820174 -0.07046220 0.22227522 0.25591806 Ti 1.24396547 1.59073906 1.77219963 5.96985188 -2.11834850 -7.44597423 Ti 2.93381326 0.13132919 0.25978669 -1.58315927 -2.08738019 -3.21078505 Ti 4.22592512 1.20506599 1.88435920 9.50148834 3.65849586 -4.92619926 Ti -0.09368319 2.98428497 0.07772642 0.03414688 0.16400421 -1.25066870 Ti 1.44809454 4.70547830 1.83341666 1.34277621 0.83671105 -1.67246784 Ti 3.18190327 2.82183498 0.21219253 -2.33412381 0.12025940 -2.33593709 Ti 4.42485375 4.62990665 1.28220450 0.83939048 0.95194153 1.31850542 Ti 0.28278197 0.06210000 3.01156224 -2.98016824 -5.43388362 0.57172738 Ti 1.32702941 1.57034430 4.54852473 1.85715344 -0.01727217 4.32332572 Ti 3.05473499 -0.08438932 2.85566001 -5.31908288 -7.31640913 3.92826645 Ti 4.40480033 1.37802106 4.29869006 2.80556035 -0.61914921 5.04039576 Ti 0.11041876 2.76735611 2.83533445 -8.15272358 5.29539405 3.47883822 Ti 1.24148635 4.44110502 4.38882030 0.84707670 0.90776071 1.98908167 Ti 3.02598936 2.72329650 3.01656150 -3.75632826 3.35761179 -1.25644790 Ti 4.31917426 4.25559716 4.20178472 0.99860397 2.07798900 1.19242140