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=18.30775355143659 pbc="F T T" Ti 0.05988540 -0.29754255 0.16431082 22 -20.66653605 37.38979266 -32.98187973 Ti 1.31425730 1.48844065 0.03277713 22 24.90194348 -16.80834329 -8.49827508 Ti 1.39971974 -0.12633864 1.46097674 22 21.36365083 9.44456037 9.97637093 Ti -0.21780693 1.71813893 1.26716069 22 -25.59905826 -30.02600975 31.50378389