3 Lattice="3.536203800119735 0.0 0.0 -1.7681019000598674 3.0624423238627596 0.0 0.0 -0.0 18.105181009973542" Properties=species:S:1:pos:R:3 energy=-17.021725816693362 dipole="-6.02106903026013e-11 3.475962361656571e-11 6.495372776855622e-11" free_energy=-17.025502517741625 pbc="T T F" Ti 0.00000000 0.00000000 9.05259050 Se 1.76810190 1.02081411 10.60518101 Se 0.00000000 2.04162822 7.50000000