48
cp2zrme_me_alme3_Et_Cs.xyz
Zr       1.6542  -0.0246   0.0000
C        2.0746   2.2470   0.0000
C        2.4209  -1.7877  -1.6478
H        2.5554  -2.8114  -1.3158
C        3.4169  -0.7728  -1.6461
H        4.4431  -0.8899  -1.3134
C        2.8534   0.3939  -2.2164
H        3.3612   1.3402  -2.3660
C        1.2461  -1.2457  -2.2186
H        0.3100  -1.7716  -2.3727
C        1.5091   0.1051  -2.5580
H        0.8011   0.7999  -3.0031
C        2.8534   0.3939   2.2164
H        3.3612   1.3402   2.3660
C        3.4169  -0.7728   1.6461
H        4.4431  -0.8899   1.3134
C        2.4209  -1.7877   1.6478
H        2.5554  -2.8114   1.3158
C        1.5091   0.1051   2.5580
H        0.8011   0.7999   3.0031
C        1.2461  -1.2457   2.2186
H        0.3100  -1.7716   2.3727
Al      -3.0955  -1.2410   0.0000
C       -4.1580   0.4495   0.0000
C       -3.0100  -2.2641   1.7170
C       -3.0100  -2.2641  -1.7170
H       -2.3065  -3.1116   1.6888
H       -4.0018  -2.6897   1.9482
H       -2.7382  -1.6304   2.5767
H       -2.7382  -1.6304  -2.5767
H       -4.0018  -2.6897  -1.9482
H       -2.3065  -3.1116  -1.6888
H        1.6147   2.7029   0.8921
H        3.1411   2.5204   0.0000
H        1.6147   2.7029  -0.8921
H       -3.9893   1.0755  -0.8892
H       -5.2314   0.1903   0.0000
H       -3.9893   1.0755   0.8892
C       -0.6866  -0.3816   0.0000
H       -1.0971   0.0669   0.9149
H       -0.7687  -1.4772   0.0000
H       -1.0971   0.0669  -0.9149
C       -0.9338   4.4657   0.0000
H       -0.5487   4.8903   0.9273
H       -0.5487   4.8903  -0.9273
C       -1.8232   3.4769   0.0000
H       -2.2080   3.0497  -0.9249
H       -2.2080   3.0497   0.9249
