44
cp2zrme_alme3_Et_cc250.xyz                        
Zr        -0.393871 -0.487820 -0.029198
C          1.179437 -2.101893 -0.304492
C          2.255528  0.064867  0.325729
C          1.539184  1.220289  0.189073
H          0.209218 -2.683404 -0.368756
H          1.760109 -2.584811  0.488201
H          1.685804 -2.213170 -1.269422
H          2.428601 -0.380508  1.301969
H          2.878820 -0.297540 -0.484956
H          1.162830  1.750726  1.063825
H          1.585138  1.781352 -0.740834
C         -0.391965 -1.417911  2.339432
C         -1.625633 -1.794133  1.743702
C         -2.381756 -0.620246  1.519566
C         -1.615695  0.487799  1.963448
C         -0.393831 -0.009089  2.481100
H          0.382949 -2.096162  2.684698
H         -1.955188 -2.810580  1.541799
H         -3.390238 -0.581510  1.122919
H         -1.935678  1.526064  1.963141
H          0.381552  0.581798  2.961063
C         -0.108643  0.170687 -2.482282
C         -0.886832 -1.004690 -2.476284
C         -2.119189 -0.717188 -1.830198
C         -2.114239  0.658146 -1.480986
C         -0.870544  1.203623 -1.865525
H          0.877373  0.278681 -2.925638
H         -0.602083 -1.963253 -2.904385
H         -2.952680 -1.402855 -1.713081
H         -2.937942  1.203607 -1.030480
H         -0.584944  2.246845 -1.773575
Al         6.475624  0.998899  0.013512
C          5.580194  1.143377  1.784723
H          5.641769  0.189428  2.334935
H          6.087807  1.888726  2.418107
H          4.519918  1.430897  1.722594
C          8.445801  1.011533 -0.097428
H          8.913011  0.469331  0.738330
H          8.816871  2.049215 -0.040480
H          8.826996  0.586982 -1.037709
C          5.362636  0.832847 -1.632472
H          4.412655  1.384588 -1.562180
H          5.124680 -0.226115 -1.833523
H          5.895966  1.200888 -2.522428
