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=1.1745867121874773 stress="-1.472852707868263 0.05906767829848083 0.0028221886149471707 0.05906767829848083 -2.076583336353675 0.1955549154185093 0.0028221886149471707 0.1955549154185093 -1.4475029101454926" pbc="F T F" Ti 0.01666064 -0.05099215 0.25386859 -14.17276029 -2.15993533 -11.14810972 Ti 1.53152318 1.25008333 0.18364777 11.19523537 6.95846767 -19.49449782 Ti 1.71362006 0.15569519 1.37564235 15.26333598 -7.56155994 15.04303653 Ti 0.26845365 1.43256865 1.58972426 -12.28581105 2.76302760 15.59957101