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:Z:I:1:forces:R:3 energy=-58.3714268337 pbc="F F F" Ti -0.14459490 -0.03685815 0.11044915 22 0.92181739 0.46922939 1.07760463 Ti 1.68527711 1.31143450 1.33833517 22 -0.34991187 2.41256667 2.02642330 Ti 2.85159522 -0.07416318 0.41261379 22 -0.34984631 -2.18741399 -1.46968183 Ti 4.21194107 1.51878885 1.32834452 22 1.12591692 0.40362093 1.44827849 Ti -0.12320595 3.09027739 0.20259391 22 0.88947843 -1.25691411 0.69605593 Ti 1.82482798 4.20865944 1.36550211 22 -1.03669500 3.94528413 0.56669847 Ti 2.78802619 2.94869596 0.36950093 22 0.92246421 -0.21160306 -4.80500420 Ti 4.47948213 4.64391375 1.64685009 22 -0.79708892 -0.89118607 0.29920552 Ti 0.49053896 0.40797779 3.03592806 22 -1.26664521 -1.24840065 -1.08595126 Ti 1.70996341 1.49207130 4.47483729 22 1.00399425 0.96205750 1.54756915 Ti 3.25067569 -0.11739967 3.04842823 22 -1.39302805 -0.11596748 -0.51218344 Ti 4.24009786 1.38825682 4.55319800 22 -0.17012294 0.76105546 -0.51167555 Ti 0.25388619 3.31258377 3.11843813 22 -0.70863265 -1.06165688 -0.87399593 Ti 1.61455359 4.60288011 4.56465758 22 0.46529963 -0.72100072 0.08375823 Ti 2.78091226 3.24270909 2.96603997 22 0.52560606 -1.81119518 1.26535466 Ti 4.21078058 4.19877102 4.31230604 22 0.21739400 0.55152414 0.24754381