4 Lattice="4.081296007059165 -1.1684229172545485e-19 0.0 2.5003886017125354e-16 4.081296007059165 0.0 4.426241321582243e-19 0.0 19.17193000900063" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-20.31000511097427 dipole="-4.080406484304218e-14 -4.314640080151799e-14 -1.7657129675945723e-06" free_energy=-20.31708923442163 pbc="T T F" Br 0.00000000 0.00000000 11.58082458 0.00000000 Br 2.04064800 2.04064800 7.59114657 0.00000000 Zr 2.04064800 0.00000000 9.58597461 0.00000000 Zr 0.00000000 2.04064800 9.58597461 0.00000000