3 Lattice="3.3190066244679373 0.0 0.0 -1.6595033122339686 2.874344052118072 0.0 0.0 -0.0 18.35855280439282" Properties=species:S:1:pos:R:3 energy=-20.23394890963929 dipole="4.156834974026671 -2.399949791231153 7.96146364817403e-11" free_energy=-20.23394891305706 pbc="T T F" W 0.00000000 0.00000000 9.17927640 Se 1.65950331 0.95811468 10.85855280 Se 1.65950331 0.95811468 7.50000000