44
cp2zrme_alme3_Et_cc460.xyz                        
Zr        -0.434419 -0.526951 -0.069410
C          1.824901 -0.228829 -0.427315
Al         3.869736  4.667236  0.173010
C          5.630145  5.017562  0.999479
C          2.523830  3.537348  1.128069
C          3.397412  5.421835 -1.596036
H          2.459896 -1.124001 -0.460249
H          2.231848  0.450916  0.334809
H          1.902342  0.262313 -1.415045
H          6.449157  4.885739  0.275503
H          5.838847  4.381144  1.871486
H          5.691026  6.064785  1.339495
H          3.000793  2.716273  1.684051
H          1.779440  3.116232  0.436472
H          1.980234  4.150673  1.867177
H          2.323553  5.368146 -1.827710
H          3.706402  6.475816 -1.676732
H          3.933484  4.887618 -2.398320
C         -2.160829  1.820327 -1.464100
C         -2.103861  1.926111 -0.126123
H         -1.345883  2.542018  0.362600
H         -2.912991  1.543641  0.493338
H         -2.987694  1.317155 -1.961490
H         -1.416333  2.298655 -2.103325
C          0.664179 -1.170663  2.107062
C         -0.494820 -1.974484  1.952792
C         -1.635639 -1.130239  2.048388
C         -1.172505  0.186234  2.285487
C          0.243240  0.167749  2.303019
H          1.690445 -1.522055  2.110452
H         -0.512151 -3.055277  1.853062
H         -2.672756 -1.449510  2.026764
H         -1.794381  1.052653  2.484667
H          0.890232  1.027346  2.461397
C         -1.012578 -1.032370 -2.491058
C          0.115359 -1.824289 -2.175152
C         -0.272139 -2.757564 -1.181519
C         -1.656705 -2.565953 -0.912389
C         -2.111376 -1.499567 -1.710592
H         -1.048191 -0.257402 -3.252982
H          1.095756 -1.752070 -2.632120
H          0.360799 -3.531128 -0.754946
H         -2.265544 -3.156187 -0.237178
H         -3.133244 -1.134933 -1.749120
