3 Lattice="3.3814948538127485 0.0 0.0 -1.6907474269063743 2.9284604461681867 0.0 0.0 0.0 18.058914858199124" Properties=species:S:1:pos:R:3 energy=-21.174551663631995 dipole="-4.810896293635695e-14 2.339068442578358e-14 4.661357256601454e-14" free_energy=-21.180581803819074 pbc="T T F" Ta -0.00000000 -0.00000000 9.02945743 S 1.69074743 0.97615348 10.56293334 S -0.00000000 1.95230696 7.49598151