4 Lattice="3.949598618203409 1.3729958963710266e-18 0.0 -1.9747993068456307 3.4207805888594853 0.0 -1.467305519239048e-17 0.0 18.85580293064" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1 energy=-31.699777058695116 dipole="-2.9966607177464892 1.727826485945931 -8.511929738015889e-07" free_energy=-31.707807983370454 pbc="T T F" S -0.00007488 0.00007404 7.70356962 0 0.00000000 S 0.00007488 2.28044636 11.15354040 0 0.00000000 Nb -0.00004938 0.00006533 10.23285170 0 0.00000000 Nb 0.00004934 2.28045508 8.62423737 0 0.00000000