3 Lattice="3.7200717880147276 -1.1302691887710903e-18 0.0 -8.201427343219346e-19 3.720071787657168 0.0 1.2508014187831235e-17 0.0 18.804234482783627" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-20.519331617588584 dipole="-7.417851854450712e-15 -4.88824971286501e-15 3.3584530458708566e-10" free_energy=-20.530088427178416 pbc="T T F" Nb 0.00000000 -0.00000000 9.40211726 0.00000000 S 0.00000000 1.86003589 10.79970072 0.00000000 S 1.86003589 -0.00000000 8.00453379 0.00000000