4 Lattice="4.151810833473248 5.353337244719714e-18 0.0 3.564256661527344e-16 4.151945937420996 0.0 2.532295019161744e-16 0.0 17.78751582" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-26.802924178835298 dipole="4.741693122895601e-08 -0.21376160322114657 -0.0002598108671122139" free_energy=-26.812028381473652 pbc="T T F" Zr 0.00000000 0.00822648 9.49644084 0.00000000 S 0.00000000 2.08400918 11.14920952 0.00000000 Zr 2.07590542 2.08429231 9.49524341 0.00000000 S -0.00000000 2.08439949 7.84373831 0.00000000