12
Lattice="6.559841134935423 -0.006863956545995842 0.0 -3.285864928673171 5.6846967307844185 0.0 -1.4759970332944563e-18 0.0 33.19" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-85.85855706475104 stress="5.215545908655767e-05 -8.608697012848727e-05 -5.484797922196944e-05 -8.608697012848727e-05 -7.886662586860357e-05 2.4981042909582344e-05 -5.484797922196944e-05 2.4981042909582344e-05 3.879209285405792e-05" dipole="-3.352256291760775e-13 1.884907794084728e-13 -4.381562125518143e-13" magmom=0.0 free_energy=-85.88373373126534 pbc="T T F"
Nb      -0.00594436       5.68126475      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
Mo       3.27397621       5.67783277      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
Nb       1.63698810       2.83891639      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
Mo       4.91690867       2.83548441      16.59500000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
S        1.62170289       0.93522580      18.17038826       0.00000000       0.00647267      -0.00138318      -0.00305281       0.00000000
S        4.94259135       0.95542538      18.14770258       0.00000000       0.00435457      -0.00357068       0.00497707       0.00000000
S       -0.02122958       3.77757416      18.17038826       0.00000000       0.00647270      -0.00138315      -0.00305286       0.00000000
S        3.29965889       3.79777374      18.14770258       0.00000000       0.00435456      -0.00357065       0.00497708       0.00000000
S       -0.02568268       1.88005904      15.04229742       0.00000000      -0.00435456       0.00357065      -0.00497708       0.00000000
S        3.29520579       1.90025861      15.01961174       0.00000000      -0.00647270       0.00138315       0.00305286       0.00000000
S       -1.66861515       4.72240740      15.04229742       0.00000000      -0.00435457       0.00357068      -0.00497707       0.00000000
S        1.65227332       4.74260698      15.01961174       0.00000000      -0.00647267       0.00138318       0.00305281       0.00000000