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=16.41994937793854 pbc="T F T" Ti -0.00206453 0.28187239 0.01001192 22 -14.37682213 -24.72575878 18.15589835 Ti 1.48453339 1.60170120 -0.12206635 22 8.61307715 22.75497416 11.43379606 Ti 1.21904386 0.00082602 1.74624097 22 21.75844281 -31.34627438 -12.62737604 Ti 0.14302402 1.35498893 1.61042859 22 -15.99469783 33.31705899 -16.96231837