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=3.9722188149 stress="-2.6786243806767662 1.4129872359029583 0.30995817557741384 1.4129872359029583 -4.082535364259607 0.5537246530740074 0.30995817557741384 0.5537246530740074 -5.073745252746526" pbc="F F F"
Ti      -0.04293576       0.34042677      -0.28678287      -2.50409243      -1.07110296      -8.63358188 
Ti       1.71736445       1.28604778       0.20384132       4.72585120       3.59382753      -8.15351976 
O       1.29224623      -0.26785036       1.50041025       5.81584867     -12.33912415       7.48404168 
O       0.25551247       1.35444624       1.49188881      -8.03760744       9.81639958       9.30305996