4 Lattice="3.616318063146676 0.0 0.0 -1.808159031573338 3.1318233108495592 0.0 0.0 0.0 21.012571247512767" Properties=species:S:1:pos:R:3 energy=-24.572368335240494 dipole="-4.034322854218795 2.328458265995433 -1.7248356891775453e-06" free_energy=-24.581867933031173 pbc="T T F" Zr 0.00010154 2.08790593 11.92285478 Se 1.80823831 1.04393526 7.50000000 Se -0.00007932 0.00013763 13.51257125 Zr -0.00010150 2.08838532 9.08972267