4 Lattice="3.6099164485941353 -3.575018420832909e-16 0.0 -1.804958222235026 4.150470076197382 0.0 -2.017414228107459e-16 0.0 18.85580293064" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1 energy=-23.056229292549762 dipole="-3.5848431453510488 -3.688599770041974 4.79060170554698e-05" free_energy=-23.060050209399282 pbc="T T F" I -0.00126078 0.05543481 7.17921392 0 0.00000000 I 0.00126125 2.71156970 11.67812390 0 0.00000000 Nb 0.00071723 0.10974580 10.04005036 0 0.00000000 Nb -0.00071669 2.65723165 8.81777455 0 0.00000000