3 Lattice="3.8147036688074145 4.619152088296859e-18 0.0 -2.0765272322799788e-18 3.814703670416628 0.0 1.6319561405290263e-17 0.0 19.101219330881975" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-17.879245601564527 dipole="4.491659370387604e-15 2.4480224624411094e-15 1.1989765305363003e-09" free_energy=-17.891787396445267 pbc="T T F" Ta 0.00000000 -0.00000000 9.55060969 0.00000000 Se -0.00000000 1.90735184 11.09847248 0.00000000 Se 1.90735183 0.00000000 8.00274690 0.00000000