6
Lattice="3.3958691645087296 -4.369305407399686e-18 0.0 -1.997888948452256e-17 3.3958691645087296 0.0 -1.1234289358605305e-17 5.004170285799856e-33 37.206856" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-51.59005587613778 stress="-3.1991634375127176e-05 0.0 -9.669677309046701e-24 0.0 -3.1991634375127176e-05 -1.7905880356823728e-28 -9.669677309046701e-24 -1.7905880356823728e-28 -3.525386714017444e-05" dipole="-6.724018647010084e-15 -6.886093597469563e-15 -2.1841934852326844e-13" magmom=0.0 free_energy=-51.60820874607462 pbc="T T F"
Nb       1.69793458       1.69793458      16.19536483       0.00000000       0.00000000       0.00000000      -0.00515205       0.00000000
Se      -0.00000000       0.00000000      14.99909835       0.00000000       0.00000000      -0.00000000      -0.00131719       0.00000000
Nb      -0.00000000      -0.00000000      17.84975937       0.00000000      -0.00000000      -0.00000000       0.00991873       0.00000000
Nb      -0.00000000      -0.00000000      21.01149117       0.00000000      -0.00000000      -0.00000000       0.00515205       0.00000000
Se       1.69793458       1.69793458      22.20775765       0.00000000      -0.00000000       0.00000000       0.00131719       0.00000000
Nb       1.69793458       1.69793458      19.35709663       0.00000000       0.00000000       0.00000000      -0.00991873       0.00000000