4 Lattice="3.88961560264893 -8.928265825711665e-20 0.0 -2.1823124360342773e-19 3.889615593714866 0.0 -4.298376262595325e-19 0.0 18.10630952" Properties=species:S:1:pos:R:3 energy=-31.383029473665907 pbc="T T F" Nb -0.00000000 0.00000000 9.05315478 Nb 1.94480780 1.94480780 9.05315474 S 0.00000000 1.94480780 7.44200302 S 1.94480780 0.00000000 10.66430650