3 Lattice="4.660089701014569 -6.946359767707335e-20 0.0 -2.330044850507285 4.035756064992846 0.0 0.0 0.0 18.734819336916573" Properties=species:S:1:pos:R:3 energy=-8.792733054769176 pbc="T T F" Pb 0.00000000 -0.00000000 9.36740967 I 2.33004485 1.34525202 11.23481934 I -0.00000000 2.69050404 7.50000000