4
Lattice="3.5976990171077103 3.475693049460779e-16 0.0 -1.7988495085538552 3.115698743985534 0.0 1.0269994399932975e-16 8.028370022369178e-33 18.679524340406086" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-28.353510106025723 stress="6.0666772724879165e-05 7.777098028004566e-20 4.0505718895857116e-22 7.777098028004566e-20 6.0666772724881096e-05 -1.0126429723964279e-22 4.0505718895857116e-22 -1.0126429723964279e-22 9.209717710013757e-05" dipole="0.6916518600145806 -0.39932538756492186 -3.018504075953966e-05" magmom=2.6091208735896334 free_energy=-28.3941392397129 pbc="T T F"
Mn       1.79884951       1.03856625       8.35225825       1.00000000      -0.00000000       0.00000000       0.00007202       1.23636906
Mn       1.79884951       1.03856625      10.33018019       1.00000000      -0.00000000       0.00000000       0.00600900       1.24674722
S        0.00000000       2.07713250       7.60376688       1.00000000      -0.00000000       0.00000000       0.00010018      -0.02248974
S        0.00000000       2.07713250      11.08089626       1.00000000       0.00000000       0.00000000      -0.00632833      -0.02258266