44
cp2zrme_alme3_Et_free.xyz
Zr      -0.5025  -0.5311  -0.0860
C        1.6729  -0.0246  -0.5488
Al       3.8907   4.7138   0.1916
C        5.6572   5.0321   1.0151
C        2.5364   3.5825   1.1336
C        3.4218   5.4569  -1.5845
H        2.4002  -0.8489  -0.5552
H        2.0295   0.7231   0.1754
H        1.6867   0.4217  -1.5595
H        6.4686   4.8759   0.2866
H        5.8559   4.3909   1.8857
H        5.7464   6.0782   1.3514
H        3.0094   2.7525   1.6800
H        1.7950   3.1739   0.4317
H        1.9906   4.1867   1.8782
H        2.3430   5.4327  -1.7984
H        3.7634   6.4974  -1.6975
H        3.9256   4.8831  -2.3811
C       -1.7768   1.6707  -1.3548
C       -1.9415   1.9275  -0.0429
H       -1.2090   2.5083   0.5205
H       -2.8783   1.6868   0.4576
H       -2.5795   1.2380  -1.9491
H       -0.8955   2.0243  -1.8952
C        0.6836  -1.1258   2.0662
C       -0.4531  -1.9724   1.9492
C       -1.6167  -1.1707   2.0746
C       -1.1963   0.1646   2.2902
C        0.2219   0.1939   2.2724
H        1.7213  -1.4417   2.0398
H       -0.4368  -3.0536   1.8564
H       -2.6420  -1.5267   2.0838
H       -1.8447   1.0034   2.5215
H        0.8434   1.0746   2.4146
C       -1.0267  -1.1078  -2.5097
C        0.1044  -1.8766  -2.1521
C       -0.2916  -2.7899  -1.1441
C       -1.6832  -2.6070  -0.9038
C       -2.1351  -1.5685  -1.7384
H       -1.0590  -0.3577  -3.2959
H        1.0914  -1.8037  -2.5946
H        0.3410  -3.5493  -0.6922
H       -2.2960  -3.1873  -0.2236
H       -3.1601  -1.2143  -1.8062
