    2    2  100    1
  0.1020673E+02  0.3067684E-09  0.3067684E-09  0.3067684E-09  0.5000000E-15
  1.000000000000000E-004
  CAR 
 dft-agent MgO relax                     
      8      3      8
 
  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1250000E+00
    1      -13.711471   1.000000
    2        3.454506   1.000000
    3        3.454506   1.000000
    4        3.454506   1.000000
    5        7.633378   0.000000
    6       18.671779   0.000000
    7       18.671780   0.000000
    8       18.671783   0.000000
 
  0.5000000E+00 -0.5551115E-16  0.0000000E+00  0.5000000E+00
    1      -12.454861   1.000000
    2       -1.228904   1.000000
    3        2.803537   1.000000
    4        2.803538   1.000000
    5       10.835687   0.000000
    6       15.616735   0.000000
    7       19.007333   0.000000
    8       19.007346   0.000000
 
  0.5000000E+00  0.5000000E+00  0.0000000E+00  0.3750000E+00
    1      -12.197137   1.000000
    2       -0.682543   1.000000
    3        2.076115   1.000000
    4        2.076116   1.000000
    5       12.165284   0.000000
    6       12.659455   0.000000
    7       16.132026   0.000000
    8       21.692229   0.000000
