The energies and point groups of the lowest energy minima of (C60)N modelled by the Girifalco potential found for N<81.
The unit of energy is the pair well depth (3218.43K) and the unit of distance is the Lennard-Jones sigma for C-C interactions (3.469 Angstrom).
Click on a label to obtain the Cartesian coordinates of a minimum.
Or click here for a tar file of all the points.
N | Energy | N | Energy | N | Energy | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
3 | D3h | -3.000000 | 29 | C2v | -106.760037 | 55 | C2v | -231.073017 | |||
4 | Td | -6.000000 | + | 30 | Cs | -111.012470 | 56 | Cs | -236.317308 | ||
5 | D3h | -9.022451 | 31 | C2v | -116.186254 | 57 | C2v | -241.567120 | |||
6 | Oh | -12.196650 | 32 | C1 | -120.408337 | * | 58 | D3h | -246.297266 | ||
7 | D5h | -16.004323 | 33 | C2v | -125.640724 | 59 | Td | -252.345258 | |||
8 | Cs | -19.069156 | 34 | C1 | -129.855897 | 60 | Cs | -256.543669 | |||
9 | C2v | -22.914618 | 35 | C2v | -135.083018 | 61 | C3v | -261.619413 | |||
10 | C3v | -26.536760 | 36 | C1 | -139.287851 | + | 62 | Cs | -265.932406 | ||
11 | Cs | -30.190516 | 37 | C2v | -144.506435 | 63 | Cs | -271.277562 | |||
12 | Cs | -34.084330 | 38 | Oh | -150.571337 | 64 | C2v | -277.443703 | |||
13 | Ih | -38.194164 | 39 | C4v | -154.739577 | 65 | C2v | -281.765054 | |||
14 | C2v | -41.963248 | 40 | C2v | -158.908183 | 66 | Cs | -286.973357 | |||
15 | C2v | -46.120798 | 41 | C3v | -163.306803 | 67 | C2v | -292.189870 | |||
16 | C2v | -50.279060 | 42 | Cs | -167.546965 | 68 | C3v | -296.746495 | |||
17 | C2v | -54.438051 | * | 43 | Cs | -172.720476 | 69 | C1 | -301.729446 | ||
18 | D5h | -58.618575 | * | 44 | C1 | -176.981537 | 70 | Cs | -307.088717 | ||
19 | C2v | -62.693166 | * | 45 | Cs | -182.237602 | 71 | C2v | -313.263013 | ||
20 | C2v | -66.765737 | * | 46 | Cs | -186.579452 | 72 | C1 | -317.521924 | ||
21 | Cs | -70.947169 | * | 47 | C3v | -191.674476 | 73 | Cs | -322.780515 | ||
22 | C1 | -75.109809 | * | 48 | C2v | -197.429522 | 74 | C5v | -328.218513 | ||
23 | Cs | -79.944552 | * | 49 | Cs | -201.673075 | 75 | D5h | -334.394832 | ||
24 | C2v | -84.156277 | * | 50 | D3h | -207.666682 | 76 | Cs | -338.632849 | ||
25 | C3v | -88.654828 | * | 51 | Cs | -211.938532 | 77 | C2v | -343.876729 | ||
26 | D3h | -93.645015 | * | 52 | C2v | -217.206226 | 78 | C1 | -348.112171 | ||
27 | Cs | -97.794962 | * | 53 | Cs | -221.478601 | * | 79 | D3h | -353.847197 | |
28 | Cs | -102.004511 | 54 | C2v | -226.781407 | * | 80 | Cs | -358.121506 |