4 Lattice="3.8576785000702167 -7.556373895962409e-23 0.0 -1.7415274249478106e-19 3.8576785045204276 0.0 7.868850284148767e-22 0.0 18.17559524" Properties=species:S:1:pos:R:3 energy=-29.639356919695395 dipole="-6.898925712146254e-15 7.822705194919557e-16 -6.198936084774722e-10" free_energy=-29.65959898332519 pbc="T T F" Ta 0.00000000 0.00000000 9.08779762 Ta 1.92883925 1.92883925 9.08779761 S -0.00000000 1.92883925 7.42420980 S 1.92883925 -0.00000000 10.75138543