5
Lattice="3.5280164711227364 -4.79821174861675e-19 0.0 -5.797942466721758e-17 3.5280164711227364 0.0 -5.0895825666062754e-17 1.313658307724909e-31 36.050538" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-36.571996632543964 stress="-1.1878214437174476e-05 0.0 -1.6769556567290482e-23 0.0 -1.1878214437173852e-05 0.0 -1.6769556567290482e-23 0.0 4.0455980768675016e-06" dipole="-2.452239407198102e-15 -1.4095206588426312e-15 -7.267234138297529e-14" magmom=0.0 free_energy=-36.579375519589235 pbc="T T F"
Zr       1.76400824       1.76400824      18.02526900       0.00000000      -0.00000000      -0.00000000       0.00000000       0.00000000
Zr      -0.00000000       0.00000000      19.91409445       0.00000000      -0.00000000       0.00000000       0.00196630       0.00000000
S        1.76400824       1.76400824      20.74169233       0.00000000      -0.00000000      -0.00000000       0.00066677       0.00000000
Zr       0.00000000      -0.00000000      16.13644355       0.00000000       0.00000000       0.00000000      -0.00196630       0.00000000
S        1.76400824       1.76400824      15.30884567       0.00000000       0.00000000      -0.00000000      -0.00066677       0.00000000