pyclupan: 3-1-6
   1.00000000000000
     0.0000000000000000    2.0523141554408655    2.0523141554408655
     4.1820688450911909    0.0000000000000000    0.0000000000000000
    -2.0910344225455955    2.0929270414624166   -4.1452411969032816
   Ag   Au
     1     2
Direct
  0.3333333333333357  0.3333333333333357  0.6666666666666643
  0.9994584978335439  0.9994584978335439  0.9989169956670878
  0.6672081688331204  0.6672081688331204  0.3344163376662479

  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
