% site-data vn=3.0 fast io=62 nbas=14 alat=7.155637 plat= 0.5 -0.5 -1.7334812 0.5 -0.5 1.7334812 1.0 1.0 0.0
#                        pos                                   vel                                    eula                   vshft  PL rlx
 La        0.5000000  -0.5000000  -0.4807290    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 La        1.0000000   0.0000000   1.2527522    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 La        0.5000000  -0.5000000   0.4807290    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 La        1.0000000   0.0000000  -1.2527522    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 Cu        0.0000000   0.0000000   0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 Cu        1.0000000   0.0000000   0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 O         1.0000000   0.5000000   0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 O         1.0000000  -0.5000000   0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 O         1.0000000   0.0000000   0.6320273    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 O         0.5000000  -0.5000000  -1.1014539    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 O         0.5000000   0.0000000   0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 O         1.5000000   0.0000000   0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 O         1.0000000   0.0000000  -0.6320273    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111
 O         0.5000000  -0.5000000   1.1014539    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000    0.0000000 0.000000  0 111