4 Lattice="3.1512900292781816 -9.555846125297054e-19 0.0 -1.5756450146390908 2.729097220047513 0.0 6.545797406016408e-19 0.0 19.47054579608121" Properties=species:S:1:pos:R:3 energy=-37.016358719298424 pbc="T T F" Nb 1.57564501 0.90969907 8.41803167 Nb 1.57564501 0.90969907 11.05251747 O 0.00000000 1.81939815 7.49099640 O -0.00000000 1.81939815 11.97956010