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=2.0026568384 stress="-2.265447839663813 -1.004045796624026 -0.7648018264603837 -1.004045796624026 -3.266630289247624 0.016706227924779632 -0.7648018264603837 0.016706227924779632 -4.9320295059834764" pbc="F F F" O 0.15586213 -0.09604453 -0.16773400 -6.92829898 -7.36845095 -6.93170886 O 1.23049600 1.62036030 -0.04368752 4.03920535 8.61160663 -9.03771321 Ti 1.74843919 0.14432661 1.26023492 4.60632607 -2.68983963 8.08107861 Ti 0.24849743 1.61343760 1.69019325 -1.71723244 1.44668395 7.88834346