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=-47.62463017688462 stress="-27.856332342422274 1.9777250740902375 -13.632434796975279 1.9777250740902375 -30.320342671465994 -1.4195385409603913 -13.632434796975279 -1.4195385409603913 -20.84890341663318" pbc="F F F" Ti -0.21701719 0.18365717 0.48475961 -1.23611706 -1.45963155 -1.10606457 Ti 1.58343331 1.29585403 1.44809454 -0.83458176 1.07813918 2.35652789 Ti 3.22094491 0.23171545 0.18190327 -0.69741705 -3.52663983 -2.64591774 Ti 4.32183498 1.72220445 1.42485375 5.75424885 0.28373664 2.35753393 Ti 0.12990665 2.78220450 0.26731537 -0.88696587 1.20184311 -0.45824265 Ti 1.66380121 4.63362859 1.32702941 -1.76157542 0.69384192 1.62552851 Ti 3.07034430 2.92645838 0.05473499 -2.01014260 0.91684405 -3.86968270 Ti 4.13465454 4.63744216 1.40480033 2.14808754 1.03447693 0.52854994 Ti -0.12280496 -0.20130994 3.11041876 -0.08867636 -0.61071198 -0.18141993 Ti 1.26735611 1.58157542 4.24148635 3.42150107 -2.18755173 4.05749981 Ti 3.08611608 0.03369179 3.02598936 -1.15081744 -4.06742220 -0.75551825 Ti 4.22329650 1.46375436 4.40583543 3.10310682 0.03977380 3.44735471 Ti -0.24440284 2.70178472 3.29874826 -4.01499924 1.87974908 -3.96859488 Ti 1.27290972 4.52392589 4.21635552 1.39028957 0.58366339 -0.12290663 Ti 3.05835534 2.74645637 3.09236290 -2.81447237 4.23858765 -1.78418184 Ti 4.42001865 4.70070203 4.05855809 -0.32146870 -0.09869845 0.51953441