10
Lattice="3.2443513614457267 -1.55739617688137e-18 0.0 -1.622175680722852 9.77662053508877 0.0 4.52890311002465e-16 -6.455007536464476e-33 34.88562313419682" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-76.32360056620611 stress="-9.15566642827546e-06 1.0632751210162493e-20 0.0 1.0632751210162493e-20 6.762010235653482e-07 -2.3399320617788318e-05 0.0 -2.3399320617788318e-05 2.828365566870204e-05" dipole="-0.5664420572408292 -3.700851480517917 1.1116208267707635e-08" magmom=0.0 free_energy=-76.32942616124839 pbc="T T F"
Nb      -0.00000000       8.59953069      17.18829040       0.00000000       0.00000000       0.00761259      -0.00068195       0.00000000
S       -0.00000000       7.12846777      15.17222685       0.00000000       0.00000000       0.00004511      -0.00227210       0.00000000
Nb       1.62217568       1.54927214      17.69733287       0.00000000      -0.00000000      -0.00761277       0.00068199       0.00000000
S        1.62217568       3.02033499      19.71339645       0.00000000      -0.00000000      -0.00004491       0.00227231       0.00000000
S        0.00000000       0.44896127      15.99072360       0.00000000      -0.00000000      -0.00484964       0.00179543       0.00000000
Nb       1.62217568       6.07800760      16.66424849       0.00000000      -0.00000000      -0.00081459      -0.00179893       0.00000000
S        1.62217568       3.61937678      16.36988405       0.00000000      -0.00000000      -0.00689577      -0.00222078       0.00000000
S        0.00000000      -0.07677897      18.89489967       0.00000000       0.00000000       0.00484947      -0.00179547       0.00000000
Nb      -0.00000000       4.07079525      18.22137487       0.00000000       0.00000000       0.00081437       0.00179882       0.00000000
S       -0.00000000       6.52942607      18.51573932       0.00000000       0.00000000       0.00689552       0.00222067       0.00000000