4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=0.696647031873 stress="-3.884825210918385 0.5744658186638449 0.6984406878850634 0.5744658186638449 -3.7482293873697796 -2.4275123617546024 0.6984406878850634 -2.4275123617546024 -5.6263599453083595" pbc="F F F" O 0.24122900 0.02201293 -0.18365652 -3.95625953 -12.40578152 -16.30012076 Ti 1.42534241 1.48566276 0.04553795 7.80633976 4.78885424 -2.19655303 Ti 1.54376171 -0.26665195 1.69273990 6.50109511 -3.25256637 3.82172565 O -0.19277068 1.26172667 1.55332204 -10.35117535 10.86949364 14.67494815