6
Lattice="6.777992797549716 9.341321359282973e-83 0.0 1.6427279809320874e-21 3.78225688803662 0.0 -1.535151831681479e-17 -1.029443053724088e-37 18.1262576" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-36.460687999669474 stress="1.2873167197659447e-05 0.0 9.493527866216512e-24 0.0 -3.3300521098796075e-05 -2.7539677819546787e-06 9.493527866216512e-24 -2.7539677819546787e-06 3.846457849417012e-05" dipole="2.4422518874397827e-13 11.265701085143025 5.209194556868889e-05" magmom=0.0 free_energy=-36.46216921278346 pbc="T T F"
Se       5.12920884       3.16357789      10.61642569       0.00000000       0.00373141       0.00019145       0.00006685       0.00000000
Se       5.03775846       1.27264379       7.50976083       0.00000000      -0.00337148      -0.00017590       0.00155910       0.00000000
Se       1.74023434       1.27264379       7.50976083       0.00000000       0.00337148      -0.00017590       0.00155910       0.00000000
Se       1.64878396       3.16357789      10.61642569       0.00000000      -0.00373141       0.00019145       0.00006685       0.00000000
Zr      -0.00000000       1.27246320       9.55078034       0.00000000       0.00000000       0.00012657      -0.00762782       0.00000000
Zr       3.38899640       3.16376169       8.57562987       0.00000000      -0.00000000      -0.00015768       0.00441651       0.00000000