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:Z:I:1:forces:R:3 energy=5806.55912842425 pbc="T F T" Ti 0.26750623 0.01434134 -0.10455411 22 -12548.04722762 -1363.57457849 9949.93261623 Ti 1.47344077 1.46866416 0.24535968 22 13365.88243967 304.67393199 -10593.12149423 Ti 1.47175610 -0.15982481 1.70182458 22 10826.73409881 -2613.62782764 -10569.29516303 Ti 0.16375164 1.73946444 1.28573759 22 -11644.56931086 3672.52847414 11212.48404102