3 Lattice="3.499797659758928 -6.429048378306923e-19 0.0 -1.7498988298794644 3.0309136814565587 0.0 0.0 0.0 18.81135934311395" Properties=species:S:1:pos:R:3 energy=-14.274335365103127 dipole="1.4627210714683333e-12 -8.281163111575195e-13 2.2081446262199413e-12" free_energy=-14.27941032407066 pbc="T T F" Zr -0.00000000 0.00000000 9.40567967 Br 1.74989883 1.01030456 11.31135934 Br -0.00000000 2.02060912 7.50000000