44
cp2zrme_alme3_Et_Cs.xyz
Zr       1.5415   0.0516   0.0000
C        1.9811   1.8678   1.6473
H        1.9238   2.9122   1.3541
C        3.1560   1.0673   1.6423
H        4.1442   1.3866   1.3308
C        2.8254  -0.1907   2.1894
H        3.5222  -1.0060   2.3649
C        0.9293   1.1018   2.2180
H       -0.0839   1.4442   2.4063
C        1.4470  -0.1743   2.5374
H        0.8975  -0.9822   3.0145
C        2.8254  -0.1907  -2.1894
H        3.5222  -1.0060  -2.3649
C        3.1560   1.0673  -1.6423
H        4.1442   1.3866  -1.3308
C        1.9811   1.8678  -1.6473
H        1.9238   2.9122  -1.3541
C        1.4470  -0.1743  -2.5374
H        0.8975  -0.9822  -3.0145
C        0.9293   1.1018  -2.2180
H       -0.0839   1.4442  -2.4063
Al      -3.5829   0.0686   0.0000
C       -3.7661  -1.9128   0.0000
C       -3.6095   1.0623  -1.7233
C       -3.6095   1.0623   1.7233
H       -3.1012   2.0374  -1.6688
H       -4.6505   1.2769  -2.0180
H       -3.1696   0.4891  -2.5542
H       -3.1696   0.4891   2.5542
H       -4.6505   1.2769   2.0180
H       -3.1012   2.0374   1.6688
H       -3.3325  -2.3893   0.8926
H       -4.8368  -2.1802   0.0000
H       -3.3325  -2.3893  -0.8926
C       -0.7434  -0.0461   0.0000
H       -1.1015  -0.5562  -0.9065
H       -1.1301   0.9864   0.0000
H       -1.1015  -0.5562   0.9065
C        2.2558  -2.7763   0.0000
H        2.8212  -2.8396   0.9285
H        2.8212  -2.8396  -0.9285
C        0.9115  -2.7641   0.0000
H        0.3399  -2.8048  -0.9273
H        0.3399  -2.8048   0.9273
