5
Lattice="3.8630217359102814 0.08858870598790967 2.2008344513815498e-16 -1.6176573449141003 3.5059222323459385 2.437789935412949e-16 -9.786873301545649e-16 -1.1547417242901241e-17 21.076576535884534" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-14.238963640312111 stress="-1.2604052554516211e-05 1.3967934068575005e-05 5.7842212776559385e-05 1.3967934068575005e-05 -8.317717557492846e-05 5.290170138461596e-05 5.7842212776559385e-05 5.290170138461596e-05 0.0004954409754218841" dipole="4.094139698824812 -3.8571785123771236 -0.00022405051407058382" magmom=0.0 free_energy=-14.248040998837395 pbc="T T F"
Cu       2.23236220       2.01158202      12.04930672       0.00000000      -0.00547498      -0.00089971       0.00390095       0.00000000
I        2.67257195       2.03852241       7.50000000       0.00000000       0.00147730       0.00291886      -0.00121072       0.00000000
Cu       0.54786203       0.55803721       9.02341527       0.00000000       0.00034483       0.00021394      -0.00131986       0.00000000
Se       0.21192635       2.44866659      10.53599255       0.00000000       0.00485281      -0.00100975       0.00123079       0.00000000
I        0.38737317       0.98228635      13.57657654       0.00000000      -0.00132489      -0.00141933      -0.00259384       0.00000000