38
cp2zrme_alme3_dih50.xyz                           
Zr         0.034622 -0.040185  0.017963
C          2.370793  0.046209  0.360933
Al         1.952934  2.177874 -0.101028
C          0.375942  2.390177  1.256286
C          3.467634  2.768537  1.067381
C          2.040809  3.070497 -1.870159
H          2.098853 -1.001265  0.030684
H          2.641018 -0.006514  1.421082
H          3.303036  0.196499 -0.208589
H         -0.722458  2.303937  1.302305
H          0.794823  2.176418  2.244575
H          0.505256  3.470040  1.047783
H          3.500079  2.302234  2.061862
H          4.438850  2.584406  0.583598
H          3.391854  3.856968  1.219536
H          1.173736  3.100588 -2.538121
H          2.891786  2.667848 -2.443358
H          2.309460  4.115601 -1.642754
C         -0.018995 -0.592710  2.524064
C          0.274767 -1.802158  1.858265
C         -0.842944 -2.150332  1.058155
C         -1.850786 -1.167975  1.268856
C         -1.338593 -0.205961  2.164483
H          0.625735 -0.079721  3.230928
H          1.189539 -2.382032  1.956201
H         -0.948318 -3.060409  0.476040
H         -2.854580 -1.185603  0.855981
H         -1.879245  0.652678  2.552251
C         -0.685700  1.151778 -2.077657
C          0.445824  0.373695 -2.437027
C          0.087931 -0.994927 -2.315637
C         -1.259578 -1.060680 -1.892525
C         -1.735270  0.265499 -1.733691
H         -0.754292  2.234711 -2.100868
H          1.390071  0.753373 -2.810817
H          0.722586 -1.844427 -2.558605
H         -1.841659 -1.965460 -1.758406
H         -2.746468  0.552937 -1.458483
