42
cp2zrme_me_alme3_Cs.xyz
Zr       1.5165   0.0035   0.0000
C        2.3412   2.1586   0.0000
C        1.8105  -1.8838  -1.6647
H        1.6637  -2.9102  -1.3446
C        3.0391  -1.1703  -1.6393
H        3.9931  -1.5609  -1.3008
C        2.8128   0.1116  -2.1971
H        3.5545   0.8919  -2.3275
C        0.8288  -1.0427  -2.2401
H       -0.2112  -1.3003  -2.4118
C        1.4452   0.1927  -2.5579
H        0.9533   1.0548  -3.0015
C        2.8128   0.1116   2.1971
H        3.5545   0.8919   2.3275
C        3.0391  -1.1703   1.6393
H        3.9931  -1.5609   1.3008
C        1.8105  -1.8838   1.6647
H        1.6637  -2.9102   1.3446
C        1.4452   0.1927   2.5579
H        0.9533   1.0548   3.0015
C        0.8288  -1.0427   2.2401
H       -0.2112  -1.3003   2.4118
Al      -3.3246   0.3258   0.0000
C       -3.5635   2.3093   0.0000
C       -3.6402  -0.6592   1.7136
C       -3.6402  -0.6592  -1.7136
H       -3.2500  -1.6898   1.6981
H       -4.7219  -0.7405   1.9155
H       -3.1995  -0.1482   2.5849
H       -3.1995  -0.1482  -2.5849
H       -4.7219  -0.7405  -1.9155
H       -3.2500  -1.6898  -1.6981
H        1.9707   2.6892   0.8939
H        3.4385   2.2462   0.0000
H        1.9707   2.6892  -0.8939
H       -3.1242   2.7904  -0.8883
H       -4.6365   2.5660   0.0000
H       -3.1242   2.7904   0.8883
C       -0.8186   0.2493   0.0000
H       -1.0756   0.7989   0.9158
H       -1.2157  -0.7744   0.0000
H       -1.0756   0.7989  -0.9158
