3 Lattice="3.7017251979532215 0.0 0.0 -1.8508625989766108 3.2057880592564696 0.0 0.0 0.0 18.3728174035652" Properties=species:S:1:pos:R:3 energy=-18.038214523460404 dipole="3.101038553958015 -1.7903854438950584 -5.3798802606036594e-14" free_energy=-18.038248683541294 pbc="T T F" Zr 0.00000000 0.00000000 9.18640870 Se 1.85086260 1.06859602 10.87298316 Se 1.85086260 1.06859602 7.49983424