6
Lattice="5.035405 0.0 0.0 0.0 6.222889 0.0 0.0 0.0 3.778609" Properties=species:S:1:pos:R:3:forces:R:3 energy=-21.88431262574967 stress="-0.005009668462718974 -1.9610791895855994e-07 -2.3498088125758635e-11 -1.9610791895855994e-07 -0.005324670212280283 5.200673188200908e-12 -2.3498088125758635e-11 5.200673188200908e-12 -0.007323404133052127" dipole="2.8876709450794023e-05 1.372392800707471e-05 -6.643941631809864e-06" pbc="T T T"
Cu       0.00000000       0.00000000       0.00000000      -0.00000307      -0.00000125      -0.00001698
Cu       2.51770000       3.11144000       1.88930000       0.00001212       0.00002450       0.00001697
Se       0.94343000       2.39362000       0.00000000      -0.01442808       0.03669429      -0.00001253
Se       4.09198000       3.82927000       0.00000000       0.01439629      -0.03668581      -0.00001252
Se       3.46113000       0.71782000       1.88930000      -0.01402244      -0.03706240       0.00001252
Se       1.57427000       5.50507000       1.88930000       0.01404347       0.03703053       0.00001253