3 Lattice="3.4714223030432936 0.0 0.0 -1.7357111515216468 3.006339901699374 0.0 0.0 -0.0 18.356046175429743" Properties=species:S:1:pos:R:3 energy=-19.294312250463733 dipole="3.7560121050853676 -2.168534599950529 8.309137672786281e-10" free_energy=-19.305083994205653 pbc="T T F" Ta 0.00000000 0.00000000 9.17802309 Se 1.73571115 1.00211330 10.85604618 Se 1.73571115 1.00211330 7.50000000