6 Lattice="3.3382147121066907 -1.2983399594600026e-18 0.0 1.7026368274280163e-16 3.3382147121066885 0.0 -1.80774008688849e-17 6.937281641339345e-33 37.206856" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-53.59158948633056 stress="-2.4376580721629548e-05 0.0 -1.1848367786156935e-23 0.0 -2.4376580721629548e-05 7.938639075046853e-28 -1.1848367786156935e-23 7.938639075046853e-28 3.5802094966297874e-05" dipole="-1.973071911829557e-15 1.3396672177548714e-14 -1.520355023003486e-13" magmom=0.0 free_energy=-53.60731641626292 pbc="T T F" Nb 1.66910736 1.66910736 16.13192655 0.00000000 -0.00000000 -0.00000000 0.00293310 0.00000000 S -0.00000000 -0.00000000 15.16148410 0.00000000 0.00000000 -0.00000000 -0.00216505 0.00000000 Nb -0.00000000 0.00000000 17.84460923 0.00000000 -0.00000000 -0.00000000 0.00059271 0.00000000 Nb 0.00000000 -0.00000000 21.07492945 0.00000000 0.00000000 0.00000000 -0.00293310 0.00000000 S 1.66910736 1.66910736 22.04537190 0.00000000 -0.00000000 0.00000000 0.00216505 0.00000000 Nb 1.66910736 1.66910736 19.36224677 0.00000000 0.00000000 0.00000000 -0.00059271 0.00000000