3
Lattice="-1.674029 2.897915 0.0 -1.674029 -2.897915 0.0 1.674029 0.0 11.101053" Properties=species:S:1:pos:R:3:forces:R:3 energy=-21.735773432806116 stress="0.0017098406213586325 -2.656976657386227e-08 4.842056920265684e-06 -2.656976657386227e-08 0.0017542560233805942 -1.6129828113194613e-09 4.842056920265684e-06 -1.6129828113194613e-09 0.00389815550924695" dipole="1.2018269737270206e-05 -4.472321442911587 1.0311595162159144e-05" pbc="T T T"
Nb      -1.67403000      -2.88409000       0.00000000       0.00000599       0.00871975       0.00007618
S       -1.67403000      -0.95163000       1.56809000       0.00004566      -0.00431715      -0.10971674
S       -0.00000000      -0.95163000       9.53297000      -0.00005166      -0.00431733       0.10966317