Skip to content

Latest commit

 

History

History
174 lines (167 loc) · 20.7 KB

File metadata and controls

174 lines (167 loc) · 20.7 KB

Here is the CIS matrix for the same H2O STO-3G test case we've been using throughout these projects. Note that the row/column ordering follows i and a combinations with a as the faster-running index (i.e., a indexes the inner loop). Thus the first row/column corresponds to i=0 and a=0 and the second row/column to i=0 and a=1. Notice that the matrix is diagonally dominant --- that is, the largest element on any row/column combination is the diagonal entry --- and that all the diagonal elements are positive.

           1           2           3           4           5           6           7           8           9          10

    1  19.9847006   0.0000000   0.0000000   0.0000000   0.0000000   0.0261967   0.0000000  -0.0000000   0.0172405   0.0000000
    2   0.0000000  19.9585039   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0074145
    3   0.0000000   0.0000000  20.0308559   0.0000000   0.0000000  -0.0000000   0.0000000   0.0195218   0.0000000   0.0000000
    4   0.0000000   0.0000000   0.0000000  20.0113341   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000
    5   0.0000000   0.0000000   0.0000000   0.0000000  19.9585039   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
    6   0.0261967   0.0000000  -0.0000000   0.0000000   0.0000000  19.9847006   0.0000000   0.0000000   0.0098259   0.0000000
    7   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  20.0113341   0.0000000   0.0000000   0.0000000
    8  -0.0000000   0.0000000   0.0195218   0.0000000   0.0000000   0.0000000   0.0000000  20.0308559   0.0000000   0.0000000
    9   0.0172405   0.0000000   0.0000000   0.0000000   0.0000000   0.0098259   0.0000000   0.0000000   1.1883321   0.0000000
   10   0.0000000   0.0074145   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   1.0931793
   11   0.0000000   0.0000000   0.0280239   0.0000000   0.0000000   0.0000000   0.0000000   0.0191033   0.0000000   0.0000000
   12   0.0000000  -0.0000000   0.0000000   0.0089205   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   13   0.0000000   0.0000000   0.0000000   0.0000000   0.0074145   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000
   14   0.0098259   0.0000000   0.0000000   0.0000000   0.0000000   0.0172405   0.0000000   0.0000000   0.0951527   0.0000000
   15   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0089205   0.0000000   0.0000000   0.0000000
   16   0.0000000   0.0000000   0.0191033   0.0000000   0.0000000   0.0000000   0.0000000   0.0280239  -0.0000000   0.0000000
   17  -0.0000000   0.0000000  -0.0046225   0.0000000   0.0000000  -0.0000000   0.0000000   0.0030386   0.0000000   0.0000000
   18   0.0000000  -0.0000000   0.0000000  -0.0076611   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000
   19  -0.0134310   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0057699   0.0000000   0.0000000  -0.0178319   0.0000000
   20   0.0000000  -0.0076611   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0867137
   21   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0076611   0.0000000   0.0000000   0.0000000
   22  -0.0000000   0.0000000   0.0030386   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0046225   0.0000000   0.0000000
   23   0.0000000   0.0000000   0.0000000   0.0000000  -0.0076611   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000
   24  -0.0057699   0.0000000   0.0000000   0.0000000   0.0000000  -0.0134310   0.0000000  -0.0000000   0.0688817   0.0000000
   25   0.0197793   0.0000000  -0.0000000   0.0000000   0.0000000   0.0017709   0.0000000   0.0000000  -0.0117148   0.0000000
   26   0.0000000   0.0180084   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0485372
   27   0.0000000   0.0000000   0.0149879   0.0000000   0.0000000   0.0000000   0.0000000   0.0112477   0.0000000   0.0000000
   28   0.0000000  -0.0000000   0.0000000   0.0037402   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000
   29   0.0000000   0.0000000   0.0000000   0.0000000   0.0180084   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000
   30   0.0017709   0.0000000   0.0000000   0.0000000   0.0000000   0.0197793   0.0000000  -0.0000000  -0.0602520   0.0000000
   31   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0037402   0.0000000   0.0000000   0.0000000
   32   0.0000000   0.0000000   0.0112477   0.0000000   0.0000000   0.0000000   0.0000000   0.0149879   0.0000000   0.0000000
   33  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000
   34   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   35   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   36   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   37   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   38  -0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000
   39   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000
   40   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000  -0.0000000   0.0000000

          11          12          13          14          15          16          17          18          19          20

    1   0.0000000   0.0000000   0.0000000   0.0098259   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0134310   0.0000000
    2   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0076611
    3   0.0280239   0.0000000   0.0000000   0.0000000   0.0000000   0.0191033  -0.0046225   0.0000000  -0.0000000   0.0000000
    4   0.0000000   0.0089205   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0076611   0.0000000  -0.0000000
    5   0.0000000   0.0000000   0.0074145   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
    6   0.0000000   0.0000000   0.0000000   0.0172405   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0057699   0.0000000
    7   0.0000000   0.0000000  -0.0000000   0.0000000   0.0089205   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
    8   0.0191033   0.0000000   0.0000000   0.0000000   0.0000000   0.0280239   0.0030386   0.0000000   0.0000000   0.0000000
    9   0.0000000   0.0000000   0.0000000   0.0951527   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0178319   0.0000000
   10   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0867137
   11   1.2566569   0.0000000   0.0000000  -0.0000000   0.0000000   0.0678165  -0.0564572   0.0000000   0.0000000   0.0000000
   12   0.0000000   1.1888405   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0867137   0.0000000   0.0000000
   13   0.0000000   0.0000000   1.0931793   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   14  -0.0000000   0.0000000   0.0000000   1.1883321   0.0000000   0.0000000   0.0000000   0.0000000   0.0688817   0.0000000
   15   0.0000000   0.0000000   0.0000000   0.0000000   1.1888405   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   16   0.0678165   0.0000000   0.0000000   0.0000000   0.0000000   1.2566569   0.0302565   0.0000000  -0.0000000   0.0000000
   17  -0.0564572   0.0000000   0.0000000   0.0000000   0.0000000   0.0302565   0.5507646   0.0000000   0.0000000   0.0000000
   18   0.0000000  -0.0867137   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4757743   0.0000000   0.0000000
   19   0.0000000   0.0000000   0.0000000   0.0688817   0.0000000  -0.0000000   0.0000000   0.0000000   0.7122157   0.0000000
   20   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.5527668
   21   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0867137   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   22   0.0302565   0.0000000   0.0000000   0.0000000   0.0000000  -0.0564572   0.0749902   0.0000000   0.0000000   0.0000000
   23   0.0000000   0.0000000  -0.0867137   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   24  -0.0000000   0.0000000   0.0000000  -0.0178319   0.0000000   0.0000000   0.0000000   0.0000000   0.1594489   0.0000000
   25   0.0000000   0.0000000   0.0000000  -0.0602520   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0383679   0.0000000
   26   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0615255
   27  -0.0011401   0.0000000   0.0000000   0.0000000   0.0000000   0.0171886   0.0073884   0.0000000  -0.0000000   0.0000000
   28   0.0000000  -0.0183287   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0615255   0.0000000  -0.0000000
   29   0.0000000   0.0000000   0.0485372   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   30   0.0000000   0.0000000   0.0000000  -0.0117148   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0998933   0.0000000
   31   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0183287   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   32   0.0171886   0.0000000   0.0000000   0.0000000   0.0000000  -0.0011401  -0.0541371   0.0000000   0.0000000   0.0000000
   33   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000
   34   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000
   35   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000
   36   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000
   37   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   38  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000
   39   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   40   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000

          21          22          23          24          25          26          27          28          29          30

    1   0.0000000  -0.0000000   0.0000000  -0.0057699   0.0197793   0.0000000   0.0000000   0.0000000   0.0000000   0.0017709
    2   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0180084   0.0000000  -0.0000000   0.0000000   0.0000000
    3   0.0000000   0.0030386   0.0000000   0.0000000  -0.0000000   0.0000000   0.0149879   0.0000000   0.0000000   0.0000000
    4   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0037402   0.0000000   0.0000000
    5  -0.0000000   0.0000000  -0.0076611   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0180084   0.0000000
    6   0.0000000  -0.0000000   0.0000000  -0.0134310   0.0017709   0.0000000   0.0000000   0.0000000   0.0000000   0.0197793
    7  -0.0076611   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000
    8   0.0000000  -0.0046225   0.0000000  -0.0000000   0.0000000   0.0000000   0.0112477   0.0000000   0.0000000  -0.0000000
    9   0.0000000   0.0000000   0.0000000   0.0688817  -0.0117148   0.0000000   0.0000000   0.0000000   0.0000000  -0.0602520
   10   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0485372   0.0000000  -0.0000000   0.0000000   0.0000000
   11   0.0000000   0.0302565   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0011401   0.0000000   0.0000000   0.0000000
   12   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0183287   0.0000000   0.0000000
   13  -0.0000000   0.0000000  -0.0867137   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0485372   0.0000000
   14   0.0000000   0.0000000   0.0000000  -0.0178319  -0.0602520   0.0000000   0.0000000   0.0000000   0.0000000  -0.0117148
   15  -0.0867137   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000
   16   0.0000000  -0.0564572   0.0000000   0.0000000   0.0000000   0.0000000   0.0171886   0.0000000   0.0000000   0.0000000
   17   0.0000000   0.0749902   0.0000000   0.0000000  -0.0000000   0.0000000   0.0073884   0.0000000   0.0000000  -0.0000000
   18   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0615255   0.0000000   0.0000000
   19   0.0000000   0.0000000   0.0000000   0.1594489  -0.0383679   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0998933
   20   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0615255   0.0000000  -0.0000000   0.0000000   0.0000000
   21   0.4757743   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   22   0.0000000   0.5507646   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0541371   0.0000000   0.0000000  -0.0000000
   23   0.0000000   0.0000000   0.5527668   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0615255   0.0000000
   24   0.0000000   0.0000000   0.0000000   0.7122157  -0.0998933   0.0000000   0.0000000   0.0000000   0.0000000  -0.0383679
   25   0.0000000  -0.0000000   0.0000000  -0.0998933   0.4658980   0.0000000   0.0000000   0.0000000   0.0000000   0.0955699
   26   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.3703281   0.0000000  -0.0000000   0.0000000   0.0000000
   27   0.0000000  -0.0541371   0.0000000   0.0000000   0.0000000   0.0000000   0.5152458   0.0000000   0.0000000   0.0000000
   28   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.4442931   0.0000000   0.0000000
   29   0.0000000   0.0000000   0.0615255   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.3703281   0.0000000
   30   0.0000000  -0.0000000   0.0000000  -0.0383679   0.0955699   0.0000000   0.0000000   0.0000000   0.0000000   0.4658980
   31   0.0615255   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000
   32   0.0000000   0.0073884   0.0000000  -0.0000000   0.0000000   0.0000000   0.0709527   0.0000000   0.0000000   0.0000000
   33   0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000
   34   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000
   35   0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   36   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   37  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   38   0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   39   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000
   40   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000

          31          32          33          34          35          36          37          38          39          40

    1   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000
    2   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
    3   0.0000000   0.0112477   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000
    4   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
    5  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000
    6   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000
    7   0.0037402   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000
    8   0.0000000   0.0149879  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000
    9   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0000000
   10   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   11   0.0000000   0.0171886   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000
   12   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   13  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   14   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   15  -0.0183287   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   16   0.0000000  -0.0011401  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   17   0.0000000  -0.0541371  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0000000
   18   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   19   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0000000
   20   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   21   0.0615255   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000
   22   0.0000000   0.0073884  -0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000
   23  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000
   24   0.0000000  -0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000  -0.0000000
   25   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   26   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   27   0.0000000   0.0709527  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   28   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   29  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000
   30   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   31   0.4442931   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000   0.0000000
   32   0.0000000   0.5152458   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000   0.0000000
   33   0.0000000   0.0000000   0.3218586   0.0000000   0.0000000   0.0000000   0.0000000   0.0346031   0.0000000  -0.0000000
   34   0.0000000   0.0000000   0.0000000   0.2872555   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   35   0.0000000   0.0000000   0.0000000   0.0000000   0.3910304   0.0000000   0.0000000  -0.0000000   0.0000000   0.0250414
   36   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.3659890   0.0000000   0.0000000   0.0000000   0.0000000
   37  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2872555   0.0000000   0.0000000   0.0000000
   38   0.0000000  -0.0000000   0.0346031   0.0000000  -0.0000000   0.0000000   0.0000000   0.3218586   0.0000000   0.0000000
   39   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.3659890   0.0000000
   40   0.0000000   0.0000000  -0.0000000   0.0000000   0.0250414   0.0000000   0.0000000   0.0000000   0.0000000   0.3910304