5
Lattice="3.960500117214861 -0.023532976848026663 0.0 2.000056249664127 3.4193939758246192 0.0 8.640982887514653e-18 7.132017776919923e-21 19.57532805" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-18.56041835140764 stress="9.155958271088811e-05 -6.465195179964539e-06 -4.041406999143684e-23 -6.465195179964539e-06 0.00019116280125734862 2.7842324797568164e-24 -4.041406999143684e-23 2.7842324797568164e-24 0.0006741085838170103" dipole="-4.282429438607203 -2.1068184515995014 3.8944725948600194e-14" magmom=0.0 free_energy=-18.56699172606258 pbc="T T F"
Cu       2.62455109       2.18684648      11.43670135       0.00000000       0.00127908       0.00432259       0.00351840       0.00000000
Cu       2.62455109       2.18684648       8.13862670       0.00000000       0.00127908       0.00432259      -0.00351840       0.00000000
Cu       0.63831582       1.05595560       9.78766402       0.00000000      -0.00072944      -0.00178019       0.00000000       0.00000000
Se       0.63747691       1.05535565      12.07735251       0.00000000      -0.00091458      -0.00344167       0.00486321       0.00000000
Se       0.63747691       1.05535565       7.49797554       0.00000000      -0.00091458      -0.00344167      -0.00486321       0.00000000