12 Lattice="5.697503320406705 -3.8837873093060514e-31 0.0 2.3921789375989243e-18 8.491278923255102 0.0 -6.035844069029396e-18 1.7735419383433947e-37 20.0955932" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-32.55481886598103 stress="-0.0001006186271780453 4.3937698943326335e-08 -3.022146889976278e-23 4.3937698943326335e-08 -9.911039302211713e-05 1.3196948581689686e-26 -3.022146889976278e-23 1.3196948581689686e-26 0.0004526832397878347" dipole="-4.6145401762829887e-07 32.18152336871107 -5.620071234153209e-13" magmom=0.0 free_energy=-32.554897249094864 pbc="T T F" I 2.69976067 1.75699825 12.60583393 0.00000000 0.00437770 0.00037154 0.00348339 0.00000000 I 2.99774265 6.00263772 7.48975927 0.00000000 -0.00437807 0.00037587 -0.00347413 0.00000000 I 2.99774265 6.00263772 12.60583393 0.00000000 -0.00437807 0.00037587 0.00347413 0.00000000 I 2.69976067 1.75699825 7.48975927 0.00000000 0.00437770 0.00037154 -0.00348339 0.00000000 I 5.53734208 3.81641070 10.04779660 0.00000000 -0.00727736 -0.00234078 0.00000000 0.00000000 I 0.16016124 8.06205017 10.04779660 0.00000000 0.00726045 -0.00229450 0.00000000 0.00000000 Cu 2.09161335 3.96656279 11.32301245 0.00000000 -0.00237491 0.00019807 -0.00689573 0.00000000 Cu 3.60588997 8.21220225 8.77258075 0.00000000 0.00238325 0.00016409 0.00693610 0.00000000 Cu 3.60588997 8.21220225 11.32301245 0.00000000 0.00238325 0.00016409 -0.00693610 0.00000000 Cu 2.09161335 3.96656279 8.77258075 0.00000000 -0.00237491 0.00019807 0.00689573 0.00000000 Cu 2.06653224 1.60814568 10.04779660 0.00000000 0.00345251 0.00113096 0.00000000 0.00000000 Cu 3.63097108 5.85370023 10.04779660 0.00000000 -0.00345157 0.00134745 0.00000000 0.00000000