3 Lattice="3.3775524241626407 2.1975634831285517e-21 0.0 -1.6887762120813203 2.9250462019385606 0.0 -2.0972598418396867e-20 0.0 18.05454236450575" Properties=species:S:1:pos:R:3 energy=-21.63805154156444 dipole="-2.7184527276585617e-09 1.5694923642993472e-09 -3.697805358973083e-09" free_energy=-21.645806757693347 pbc="T T F" Nb -0.00000000 -0.00000000 9.02727119 S 1.68877621 0.97501540 10.56508002 S -0.00000000 1.95003080 7.48946235