12 Lattice="6.389865215146971 5.273899191157291e-05 0.0 5.5768675000719475e-05 6.695136441095634 0.0 6.648369859672169e-17 1.1111544673672978e-21 34.552014452523785" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-38.248395580076355 stress="-7.974473996117774e-07 1.7082129960859454e-07 -7.225477284713751e-06 1.7082129960859454e-07 -4.608348479353221e-07 -3.2079962483095835e-07 -7.225477284713751e-06 -3.2079962483095835e-07 0.00015782152319616778" dipole="-30.695120147614805 11.120733988714079 -1.241162288152136e-05" magmom=0.0 free_energy=-38.24875602067494 pbc="T T F" S 0.05072530 -0.05702500 16.62714145 0.00000000 0.00334561 0.00149075 0.00057939 0.00000000 S 3.87974820 3.29057189 17.92485794 0.00000000 -0.00364789 0.00129326 -0.00085900 0.00000000 S 0.68472452 5.01007269 17.92483414 0.00000000 -0.00251333 -0.00116088 -0.00032056 0.00000000 S 3.24563153 1.66253504 16.62715959 0.00000000 0.00373405 -0.00112933 0.00059470 0.00000000 Cu 1.88836179 0.33295219 17.99201598 0.00000000 0.00488145 -0.00363671 0.00274770 0.00000000 Cu 2.04210406 3.68048153 16.55989215 0.00000000 -0.00476079 -0.00304739 -0.00214156 0.00000000 Cu 5.23711843 4.62019982 16.55997848 0.00000000 -0.00590393 0.00315418 -0.00303053 0.00000000 Cu 5.08329765 1.27262705 17.99204953 0.00000000 0.00488630 0.00328363 0.00250259 0.00000000 I 3.67949977 6.18352484 19.64754057 0.00000000 -0.00011281 0.00262916 0.00909033 0.00000000 I 0.25103605 2.83594535 14.90448803 0.00000000 -0.00014319 0.00246022 -0.00954564 0.00000000 I 3.44596132 5.46474088 14.90443499 0.00000000 0.00024694 -0.00277837 -0.00890094 0.00000000 I 0.48452276 2.11712818 19.64751772 0.00000000 -0.00006786 -0.00255855 0.00928288 0.00000000