12 Lattice="6.562455704915145 0.0007881552126903463 0.0 -3.280545289967731 5.678910952119477 0.0 5.762994317645624e-17 0.0 33.19" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-87.61298868868363 stress="3.936364939754274e-05 -2.785040939641065e-05 -6.834964983757204e-23 -2.785040939641065e-05 -2.6042249738392403e-05 4.835846673714809e-23 -6.834964983757204e-23 4.835846673714809e-23 2.751781851325242e-05" dipole="13.563460269139147 -7.22607175165388 1.142705374650579e-13" magmom=0.0 free_energy=-87.63594207855915 pbc="T T F" Mo 0.01309595 5.68644637 16.59500000 0.00000000 -0.00242285 0.00257008 0.00000000 0.00000000 Nb 3.26313765 5.66884257 16.59500000 0.00000000 -0.00279957 0.00297858 0.00000000 0.00000000 Mo 1.65336860 2.84699089 16.59500000 0.00000000 -0.00242286 0.00257010 0.00000000 0.00000000 Nb 4.90341029 2.82938709 16.59500000 0.00000000 -0.00279955 0.00297859 0.00000000 0.00000000 S 1.66596798 0.96132316 18.12972292 0.00000000 0.00312728 -0.00064127 0.00280403 0.00000000 S 4.89989834 0.93442245 18.15690218 0.00000000 -0.00050498 -0.00212623 0.00123072 0.00000000 S 0.02569534 3.80077863 18.12972292 0.00000000 0.00312729 -0.00064125 0.00280406 0.00000000 S 3.25962569 3.77387793 18.15690218 0.00000000 -0.00050498 -0.00212623 0.00123072 0.00000000 S 1.66596798 0.96132316 15.06027708 0.00000000 0.00312728 -0.00064127 -0.00280403 0.00000000 S 4.89989834 0.93442245 15.03309782 0.00000000 -0.00050498 -0.00212623 -0.00123072 0.00000000 S 0.02569534 3.80077863 15.06027708 0.00000000 0.00312729 -0.00064125 -0.00280406 0.00000000 S 3.25962569 3.77387793 15.03309782 0.00000000 -0.00050498 -0.00212623 -0.00123072 0.00000000