4 Lattice="3.20527118496216 3.299201486541785e-18 0.0 -1.60263559248108 2.7758462721954817 0.0 -2.4497054733238097e-19 0.0 20.85525272408919" Properties=species:S:1:pos:R:3 energy=-30.67134383507327 dipole="2.7664095420081956 -1.5971872937672038 2.843405291599574e-07" free_energy=-30.688329402003344 pbc="T T F" Nb 1.60263559 0.92528209 9.05370323 Nb 1.60263559 0.92528209 11.80155140 S -0.00000000 1.85056418 7.50315861 S 0.00000000 1.85056418 13.35209529