4 Lattice="4.02990160509281 5.365490450606301e-20 0.0 2.478222033190137e-16 4.02990160509281 0.0 3.910218823935693e-19 0.0 18.917371567773476" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-21.341734679030576 dipole="-4.67228388005444e-14 -5.151667160219544e-14 2.116753052650137e-05" free_energy=-21.348681703851298 pbc="T T F" Cl 0.00000000 0.00000000 11.28900483 0.00000000 Cl 2.01495080 2.01495080 7.62837701 0.00000000 Zr 2.01495080 0.00000000 9.45869009 0.00000000 Zr 0.00000000 2.01495080 9.45869009 0.00000000