4 Lattice="2.905501506149776 0.0 0.0 1.452750753074888 2.516238115059654 0.0 0.0 0.0 14.74466320420782" Properties=species:S:1:pos:R:3:tags:I:1:forces:R:3:magmoms:R:1 energy=-20.993266004148722 magmom=0.0 pbc="T T F" Ti 1.45275075 0.83874604 4.99999956 3 0.00000000 0.00000000 0.49540852 0.00000000 Ti 0.00000000 1.67749208 7.37233160 2 -0.00000000 0.00000000 -1.17608918 0.00000000 Ti -0.00000000 0.00000000 9.61288915 1 0.00000000 0.00000000 0.65449909 0.00000000 H -0.00000000 0.00000000 11.37727670 0 0.00000000 0.00000000 0.02612094 0.00000000