Global minima for Cobalt nanoclusters (2-200) interacting with the Gupta potential. For each minimum the energy and point group are given. The unit of energy is eV.
Click on a label to access the points file for the structure in Cartesian coordinates.
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Alternatively, click here to access a tgz file containing all the points.
These results have been reported in: L. Zhan, J. Z. Y. Chen, W.-K. Liu, and S. K. Lai, J. Chem. Phys. 122, 244707 (2005)
| N | PG | Energy / eV | N | PG | Energy / eV | N | PG | Energy / eV | N | PG | Energy / eV | |||
| 2 | Dinfh | -3.15065179 | 52 | C3v | -190.1403866 | 102 | C2v | -388.0998555 | 152 | Cs | -591.4342513 | 3 | D3h | -6.13875890 | 53 | C2v | -194.3327986 | 103 | Cs | -392.1510857 | 153 | C3v | -595.3992438 | 4 | Td | -9.53815918 | 54 | C5v | -198.5240012 | 104 | C2v | -396.1596140 | 154 | C2v | -599.2114317 | 5 | D3h | -12.80265501 | 55 | Ih | -202.7136225 | 105 | C2 | -399.9681259 | 155 | Cs | -603.2419487 | 6 | Oh | -16.34438847 | 56 | C3v | -206.0150172 | 106 | C1 | -403.9771201 | 156 | Cs | -607.4238848 | 7 | D5h | -19.72589196 | 57 | Cs | -209.5442434 | 107 | Cs | -408.1348622 | 157 | C2v | -611.6331535 | 8 | D2d | -23.02759620 | 58 | C3v | -213.5703311 | 108 | Cs | -412.3059832 | 158 | Cs | -615.6036022 | 9 | C2v | -26.51110143 | 59 | C1 | -217.2824524 | 109 | C1 | -416.3057218 | 159 | C2v | -619.5716762 | 10 | C3v | -30.07287786 | 60 | Cs | -221.2802030 | 110 | Cs | -420.3045440 | 160 | C1 | -623.3105715 | 11 | C2v | -33.61576383 | 61 | C2v | -225.2668703 | 111 | Cs | -424.2282150 | 161 | C1 | -627.3149921 | 12 | C5v | -37.49841062 | 62 | Cs | -228.9027576 | 112 | Cs | -428.3068888 | 162 | Cs | -631.4892354 | 13 | Ih | -41.81920702 | 63 | C1 | -232.8947610 | 113 | Cs | -432.4790340 | 163 | Cs | -635.6974681 | 14 | C3v | -44.93586980 | 64 | Cs | -236.8781886 | 114 | Cs | -436.6473857 | 164 | C1 | -639.6651744 | 15 | C2v | -48.52567444 | 65 | C2 | -240.5201760 | 115 | C5v | -440.8130358 | 165 | Cs | -643.6312979 | 16 | Cs | -52.06297312 | 66 | C1 | -244.5103568 | 116 | C5v | -444.9823350 | 166 | Cs | -647.4269926 | 17 | C2 | -55.60429192 | 67 | C2 | -248.4964196 | 117 | C1 | -448.6415848 | 167 | Cs | -651.4852810 | 18 | Cs | -59.31543520 | 68 | C1 | -252.2877445 | 118 | Cs | -452.6837657 | 168 | C3v | -655.6716875 | 19 | D5h | -63.55030713 | 69 | C1 | -256.3507509 | 119 | Cs | -456.7668376 | 169 | C2 | -659.7610012 | 20 | C2v | -67.02968998 | 70 | C5v | -260.5151508 | 120 | C1 | -460.4312295 | 170 | C2v | -663.9368866 | 21 | C1 | -70.52209797 | 71 | C5 | -264.6524350 | 121 | C1 | -464.5711039 | 171 | Cs | -668.0163456 | 22 | Cs | -74.18441246 | 72 | Cs | -268.2437968 | 122 | C1 | -468.7835333 | 172 | C5v | -672.2252676 | 23 | D3h | -78.29682896 | 73 | Cs | -272.2334494 | 123 | Cs | -472.9077116 | 173 | C5v | -676.4334607 | 24 | C2v | -81.76435353 | 74 | C5v | -276.3986522 | 124 | Cs | -477.1200398 | 174 | Cs | -680.4455188 | 25 | C3 | -85.47990015 | 75 | D5h | -280.6061534 | 125 | Cs | -481.1192842 | 175 | Cs | -684.4569924 | 26 | Td | -89.36830977 | 76 | Cs | -284.2813802 | 126 | Cs | -484.8936404 | 176 | Cs | -688.4678220 | 27 | C2v | -92.98960595 | 77 | C2v | -288.2933742 | 127 | C2v | -489.1059691 | 177 | C5v | -692.4785721 | 28 | T | -96.92113165 | 78 | C1 | -291.9663639 | 128 | Cs | -493.2284031 | 178 | C5v | -696.4876286 | 29 | C3 | -100.4998608 | 79 | C2v | -295.9790500 | 129 | Cs | -497.4405058 | 179 | Cs | -700.5051534 | 30 | Cs | -104.1809983 | 80 | C1 | -299.7861918 | 130 | Cs | -501.5615395 | 180 | Cs | -704.7117734 | 31 | C3 | -107.9263613 | 81 | C2 | -303.8053980 | 131 | C2v | -505.7734388 | 181 | C1 | -708.8456888 | 32 | D3 | -111.9588267 | 82 | C1 | -307.8073682 | 132 | C1 | -509.4321859 | 182 | Cs | -713.0250346 | 33 | C1 | -115.7226628 | 83 | C2v | -311.8078868 | 133 | Cs | -513.5564800 | 183 | C2v | -717.2330494 | 34 | Cs | -119.4265968 | 84 | C1 | -315.5917003 | 134 | C3v | -517.7680506 | 184 | Cs | -721.0009837 | 35 | C2 | -123.2227072 | 85 | C1 | -319.6053737 | 135 | Cs | -521.9794548 | 185 | C1 | -725.0514853 | 36 | Cs | -127.2020270 | 86 | C3 | -323.7154810 | 136 | Cs | -526.1908129 | 186 | C1 | -729.1129869 | 37 | C1 | -131.0021454 | 87 | Cs | -327.6080333 | 137 | C3v | -530.4021224 | 187 | Cs | -733.3760918 | 38 | Oh | -135.2399864 | 88 | Cs | -331.8011735 | 138 | C3v | -534.5374680 | 188 | Cs | -737.5849134 | 39 | C5v | -139.1262062 | 89 | C3v | -335.9802365 | 139 | C2v | -538.7473477 | 189 | Cs | -741.7933500 | 40 | Cs | -142.8153124 | 90 | Cs | -339.9817382 | 140 | C1 | -542.9571615 | 190 | D5h | -746.1251704 | 41 | Cs | -146.4701197 | 91 | Cs | -343.9809747 | 141 | C5v | -547.1669337 | 191 | C5v | -750.3333012 | 42 | Cs | -150.3537320 | 92 | Td | -347.9778980 | 142 | C1 | -551.3764942 | 192 | D5h | -754.5413203 | 43 | Cs | -154.3956285 | 93 | C1 | -351.7684938 | 143 | C2v | -555.5860117 | 193 | C2v | -758.3111302 | 44 | C1 | -158.0644979 | 94 | C1 | -355.7718467 | 144 | C3v | -559.7954535 | 194 | Cs | -762.3625498 | 45 | Cs | -162.0863246 | 95 | C1 | -359.7710265 | 145 | C2v | -564.0048189 | 195 | C2v | -766.3703440 | 46 | C2v | -166.2913580 | 96 | C1 | -363.7165452 | 146 | C5v | -568.2141412 | 196 | C2v | -770.3240955 | 47 | C1 | -169.9535267 | 97 | C2v | -367.7878938 | 147 | Ih | -572.4234175 | 197 | Cs | -774.3435029 | 48 | Cs | -173.9503669 | 98 | Cs | -371.9770018 | 148 | C1 | -575.7201251 | 198 | C2 | -778.3467808 | 49 | C3v | -178.1544651 | 99 | C2v | -376.1518497 | 149 | Cs | -579.4663803 | 199 | C1 | -782.4498541 | 50 | Cs | -181.8220828 | 100 | Cs | -380.1500888 | 150 | C3v | -583.5955478 | 200 | C1 | -786.4906393 | 51 | C2v | -185.9350749 | 101 | C2v | -384.1472457 | 151 | C1 | -587.4533875 |
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