48
cp2zrme_o_al2me5_Cs.xyz
Zr       1.4401  -0.0036   0.0000
C        1.7811   2.2909   0.0000
O       -0.6559  -0.0816   0.0000
C        2.1993  -1.7360  -1.7000
H        2.2217  -2.7842  -1.4205
C        3.2782  -0.8170  -1.5865
H        4.2681  -1.0431  -1.2042
C        2.8516   0.4252  -2.1070
H        3.4461   1.3301  -2.1683
C        1.1221  -1.0630  -2.3260
H        0.1522  -1.4912  -2.5549
C        1.5148   0.2728  -2.5604
H        0.8982   1.0490  -3.0046
C        2.8516   0.4252   2.1070
H        3.4461   1.3301   2.1683
C        3.2782  -0.8170   1.5865
H        4.2681  -1.0431   1.2042
C        2.1993  -1.7360   1.7000
H        2.2217  -2.7842   1.4205
C        1.5148   0.2728   2.5604
H        0.8982   1.0490   3.0046
C        1.1221  -1.0630   2.3260
H        0.1522  -1.4912   2.5549
Al      -2.0292  -1.3418   0.0000
C       -2.2060  -2.3904   1.6817
C       -2.2060  -2.3904  -1.6817
H       -1.4030  -3.1345   1.8051
H       -3.1479  -2.9649   1.6509
H       -2.2376  -1.7774   2.5949
H       -2.2376  -1.7774  -2.5949
H       -3.1479  -2.9649  -1.6509
H       -1.4030  -3.1345  -1.8051
H        1.3158   2.7348   0.8945
H        2.8405   2.5891   0.0000
H        1.3158   2.7348  -0.8945
Al      -1.8459   1.3614   0.0000
C       -3.6511   0.1076   0.0000
C       -1.8755   2.3305  -1.7324
C       -1.8755   2.3305   1.7324
H       -0.9543   2.9089  -1.9005
H       -2.7074   3.0524  -1.7701
H       -1.9985   1.6504  -2.5896
H       -1.9985   1.6504   2.5896
H       -2.7074   3.0524   1.7701
H       -0.9543   2.9089   1.9005
H       -4.1286  -0.3239   0.8946
H       -4.0364   1.1457   0.0000
H       -4.1286  -0.3239  -0.8946
