Bare contribution in ppm:

     Atom  1  Si  pos: (  0.470100 -0.814241  0.733333)  bare sigma:         -27.45
           -26.8483          1.2491          0.3555
             1.2488        -28.2906          0.2054
            -1.0056         -0.5802        -27.2131
（略）