38
cp2zrme_alme3_Cs.xyz
Zr       1.8064   0.0477   0.0000
C        1.8413   1.8895   1.6461
H        1.5571   2.9000   1.3651
C        3.1639   1.3630   1.6324
H        4.0566   1.8921   1.3165
C        3.1151   0.0535   2.1583
H        3.9652  -0.6103   2.2992
C        0.9831   0.9075   2.2107
H       -0.0794   1.0208   2.4056
C        1.7670  -0.2331   2.5056
H        1.4069  -1.1505   2.9657
C        3.1151   0.0535  -2.1583
H        3.9652  -0.6103  -2.2992
C        3.1639   1.3630  -1.6324
H        4.0566   1.8921  -1.3165
C        1.8413   1.8895  -1.6461
H        1.5571   2.9000  -1.3651
C        1.7670  -0.2331  -2.5056
H        1.4069  -1.1505  -2.9657
C        0.9831   0.9075  -2.2107
H       -0.0794   1.0208  -2.4056
Al      -3.0768  -1.0550   0.0000
C       -2.8611  -3.0350   0.0000
C       -3.3772  -0.0973  -1.7189
C       -3.3772  -0.0973   1.7189
H       -3.1328   0.9760  -1.6895
H       -4.4542  -0.1539  -1.9549
H       -2.8553  -0.5488  -2.5770
H       -2.8553  -0.5488   2.5770
H       -4.4542  -0.1539   1.9549
H       -3.1328   0.9760   1.6895
H       -2.3568  -3.4346   0.8926
H       -3.8777  -3.4664   0.0000
H       -2.3568  -3.4346  -0.8926
C       -0.3756  -0.5623   0.0000
H       -0.5688  -1.1576  -0.9061
H       -1.0359   0.3198   0.0000
H       -0.5688  -1.1576   0.9061
