4 Lattice="2.894925569044477 -2.255461561712781e-18 0.0 -4.896486426694744e-18 5.269702844316911 0.0 5.1360366516996794e-18 0.0 17.28974514" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-36.12087632876079 dipole="2.1928088943719774e-08 -0.8572714191786897 -0.010083834620011453" free_energy=-36.12580776325545 pbc="T T F" Nb 0.00000000 0.02947775 8.70911027 0.00000000 O -0.00000000 1.81996200 9.76894909 0.00000000 Nb 1.44746279 2.42854437 8.48902357 0.00000000 O -0.00000000 3.62549523 7.61248546 0.00000000