8
Lattice="5.070813483130039 2.140251674918005e-19 0.0 4.874789122717233e-16 7.9666261670163845 0.0 1.1125759958055494e-15 1.1125759958055494e-15 18.169744886120114" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1 energy=-25.385678595019932 dipole="1.1127954683861967 21.249834249132515 -0.00015396292425556485" free_energy=-25.38568762000273 pbc="T T F"
I        5.00483504       7.80104497       7.30554117        0       0.00000000
I        2.46972382       7.78930377      10.86420712        0       0.00000000
Se       2.86464501       4.89528507       8.12976940        0       0.00000000
Se       0.32985155       2.72876536      10.03986764        0       0.00000000
Se       4.59600723       4.89734732      10.04384549        0       0.00000000
Se       2.06115140       2.72655916       8.12593144        0       0.00000000
Cu       3.73025345       1.28345392       9.08567560        0       0.00000000
Cu       1.19388867       6.34083597       9.08369414        0       0.00000000