3 Lattice="3.9149030274703174 4.529121176863621e-19 0.0 -4.368170965311239e-18 3.9149029221682636 0.0 -5.790918261454746e-18 0.0 18.959797974644665" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-19.386543222981107 dipole="-7.814700319080451e-15 -1.0103437169999592e-14 -1.632548198011186e-09" free_energy=-19.38654322332059 pbc="T T F" Zr -0.00000000 0.00000000 9.47989986 0.00000000 S 0.00000000 1.95745146 10.90644288 0.00000000 S 1.95745151 -0.00000000 8.05335690 0.00000000