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=21.660643753458416 pbc="F T T" Ti -0.15859300 -0.18331863 -0.08013605 22 -26.99804878 2.55801985 15.25460144 Ti 1.24396547 1.59073906 0.47508685 22 27.24233451 -1.83778095 -12.95786658 Ti 1.43381326 0.13132919 1.75978669 22 29.16612287 -4.89391741 5.96803078 Ti -0.27407488 1.28504734 1.68365717 22 -29.41040860 4.17367852 -8.26476564