4 Lattice="3.5957354793906005 3.052512632917497e-20 0.0 -1.7978677396953002 3.113998270441277 0.0 -8.715745554961448e-20 0.0 20.963209299108133" Properties=species:S:1:pos:R:3 energy=-24.673576254956487 dipole="2.299764823007442 -1.3277698396362043 2.4668158031652846e-06" free_energy=-24.67688403290762 pbc="T T F" Zr 1.79786774 1.03799942 9.10848529 Zr 1.79786774 1.03799942 11.85472780 Se -0.00000000 2.07599885 7.49587920 Se -0.00000000 2.07599885 13.46733362