4
Lattice="3.24051397151938 0.0 0.0 -1.62025698575969 2.806367420654186 0.0 0.0 0.0 20.723750175738246" Properties=species:S:1:pos:R:3 energy=-30.750014289349004 dipole="-4.448918558669061 2.5703088106840815 -6.076778809953692e-08" free_energy=-30.766632743723413 pbc="T T F"
Nb       0.00004290       1.87097479      11.69801636
S        1.62021581       0.93558547       7.50000000
S        0.00004123       0.00004280      13.22375018
Nb      -0.00004282       1.87153854       9.02573401