Sutton-Chen 12-6 Clusters: Table of Global Minima


Global minima for Sutton-Chen 12-6 clusters with $N\le 80$. For each minimum the energy and point group are given and a structural assignment made if possible. The structural categories are: icosahedral with an anti-Mackay (aM) or a Mackay overlayer (M); decahedral with n atoms along the decahedral axis (dn); close-packed fcc (f), hcp (h), or involving a mixture of stacking sequences and twin planes (c); and clusters involving disclination lines (dis).

Click on a label to access the points file for the structure in Cartesian coordinates. The unit of distance is the latttice constant, a. The first line contains the values of the parameters in the Sutton-Chen potential $\epsilon$, c, a, n and m.

Alternatively, click here to access a tar file containing all the points.

N Energy/$\epsilon$ PG     N Energy/$\epsilon$ PG  
3 -1704.6905 D3h     42 -39301.6696 Cs M
4 -2601.8447 Td     43 -40341.8543 Cs M
5 -3461.3452 D3h     44 -41310.9157 C1 M
6 -4378.8875 Oh     45 -42345.0912 Cs d4
7 -5271.2947 D5h     46 -43436.2827 C2v M
8 -6129.7564 D2d     47 -44405.1884 C1 M
9 -7048.7552 C2v     48 -45470.1069 C2v d4
10 -7972.0971 C3v     49 -46521.2131 C3v M
11 -8889.9627 C2v     50 -47518.6719 D3h c
12 -9871.2458 C5v     51 -48522.4267 C2v M
13 -10968.5082 Ih M   52 -49616.1377 C3v M
14 -11798.8479 C3v aM   53 -50706.4665 C2v M
15 -12742.9841 C2v aM   54 -51796.0777 C5v M
16 -13672.6475 Cs aM   55 -52884.6806 Ih M
17 -14606.3231 C2 aM   56 -53756.6516 C3v M
18 -15535.3810 Cs aM   57 -54700.1733 Cs aM
19 -16595.0561 D5h aM   58 -55753.8515 C3v aM
20 -17510.9209 C2v aM   59 -56751.4572 Td c
21 -18433.0300 C1 aM   60 -57763.6760 Cs aM
22 -19422.7209 Cs     61 -58809.0448 C2v aM
23 -20383.3977 D3h     62 -59765.2180 C2v aM
24 -21315.4208 C2v h   63 -60822.3826 Cs d5
25 -22339.6319 C3v d3   64 -61925.6244 C2v d5
26 -23337.2211 D3h h   65 -62903.7387 C2v d5
27 -24284.3891 Cs h   66 -63959.3105 Cs d5
28 -25276.9501 C3v M   67 -65011.2767 C2v d5
29 -26263.2779 C2v d4   68 -65980.5983 C3v c
30 -27253.8536 C2v d3   69 -67020.4042 C1 d5
31 -28274.4371 C2v d4   70 -68114.9462 Cs d5
32 -29265.3320 C2v M   71 -69216.6518 C2v d5
33 -30274.9603 C2v d4   72 -70171.4663 C1 d5
34 -31231.7697 C2v c   73 -71225.8547 C2v d5
35 -32280.3945 C2v d4   74 -72318.7243 C5v d5
36 -33253.9352 Cs M   75 -73421.0521 D5h d5
37 -34302.6067 C3v c   76 -74375.6975 Cs d5
38 -35419.9804 Oh f   77 -75430.9852 C2v d5
39 -36364.8587 C4v f   78 -76385.4318 C1 d5
40 -37324.3708 Cs M   79 -77456.0255 D3h c
41 -38316.5698 Cs c   80 -78414.6271 Cs c


[Back] Return to The Cambridge Cluster Database.
Jon Doye
11/5/1997