3 Lattice="3.340923605062307 0.0 0.0 -1.6704618025311535 2.8933247140870466 0.0 0.0 -0.0 18.131582093880787" Properties=species:S:1:pos:R:3 energy=-21.23504371051308 dipole="3.008882814537981 -1.73717930293354 -8.38303289973596e-11" free_energy=-21.24486038387806 pbc="T T F" Ta 0.00000000 0.00000000 9.06579105 S 1.67046180 0.96444157 10.63158209 S 1.67046180 0.96444157 7.50000000