30  
   1.10378846788802        0.000000000000000        2.73362375674502     #  dxx dyx dyy 
   0.00000000000000       -0.882462106006262        7.85649717785554     #  dzx dzy dzz 
#  a,b,c,alpha,beta,gamma: 1.103788, 2.733624, 7.905902, 90.000000, 96.408749, 90.000000 
#  space_group:  11
#  international: P2_1/m
#  schoenflies: C2h^2
#  Energy (SF, cutoff=2.5): -7.4903 
   7.588888492097603E-01    -2.112915208103880E-01     4.423904999668892E+00          A
   2.069946154922296E-01     1.293399963208999E+00     5.746380414032066E+00          A
   7.588888491779299E-01     1.450710430146478E+00     3.667110902930330E+00          A
   2.069946147794000E-01     8.670004462350414E-01     7.609957560135807E+00          A
   2.069946144909508E-01     1.866405483787964E+00     7.197738998355696E+00          A
   2.069946144831430E-01     6.178397802724382E-01     1.976576305059138E+00          A
   7.588888494775224E-01     1.504422826601206E+00     4.812913933672855E+00          A
   7.588888491823887E-01    -1.574452119019903E-01     1.440705808024388E+00          A
   7.588888498237606E-01     8.513822944385026E-01     1.051665588552456E+00          A
   2.069946141752134E-01     6.777068327890424E-01     3.125668508260250E+00          A
   7.588888497937761E-01     2.524289172682892E+00     2.892931077221631E-01          A
   2.069946149586568E-01     7.295962058653660E-01     4.277081208242084E+00          A
   2.069946145650764E-01     1.684233134420468E+00     2.738750272983744E+00          A
   2.069946138772015E-01     2.864618958842252E-01     6.156525818990172E+00          A
   7.588888482787433E-01     7.570346721923853E-02     7.088233838913048E+00          A
   2.069946146819361E-01    -3.311206734521302E-01     3.514708727280676E+00          A
   7.588888482936663E-01    -6.486623800044231E-01     6.266345675101420E+00          A
   7.588888490699969E-01     1.569652242845819E+00     1.827624042819414E+00          A
   2.069946154726683E-01    -4.379039512259388E-01     5.334637655065340E+00          A
   2.069946161670179E-01     7.315531430242888E-01     1.424693163036865E-01          A
   7.588888483888222E-01     1.078023309471071E+00     6.676491079924039E+00          A
   2.069946162410026E-01     1.803174948384535E+00     8.992634128246579E-01          A
   7.588888489491403E-01     5.050177891947362E-01     5.225132495492373E+00          A
   7.588888484159506E-01    -9.757815921880612E-02     2.589798010744989E+00          A
   7.588888487158660E-01     3.329519988518360E-01     3.715070676397353E+00          B
   2.069946158045121E-01     1.873096225710460E-01     8.513036397706889E-01          B
   7.588888499331549E-01     1.396318485552618E+00     3.425470742123189E-01          B
   2.069946151360683E-01     1.857566892821570E+00     4.223827241765713E+00          B
   7.588888483385309E-01     1.020934009568133E+00     2.533937583692477E+00          B
   2.069946146538143E-01     2.232951367407595E+00     2.032436732342052E+00          B