The icosahedron (You
can move the particles with the mouse).
Table
from the article: The
Optimal Geometry of Lennard-Jones Clusters: 148-309
(See the
references)
Table's reference:
Romero,
D., Barrón,
C., and Gómez, S., "The optimal geometry of Lennard-Jones
clusters:
148-309,"
Computer
Physics Communications, 123:(1-3), pp. 87-96 (December 1999).
I gladly answer your questions after you consult our
article.
Thanks
Remark.: Click over the
number to see the
picture of the cluster. Calm, Java is slow.
In almost all clusters, I omit the core when
it is
complete.
You can move the cluster with the mouse.
'I' denotes the last shell as IC layer
lattice,
'F' denotes the last shell as FC layer
lattice,
'C' means icosahedral core, and D means Marks
decahedral core.
There are four combinations IC, FC, ID, and
FD.
For more information, please consult the article.
P
Geo.
Potential
P
Geo.
Potential P Geo. Potential
148
IC -881.0730 *
149 IC -886.6934
* 150 IC
-893.3103
*
151
FC
-899.1810
152 FC
-905.4296 153 FC -911.7074
154
IC
-918.0209 155
FC
-924.4456 156 FC -931.3077
157
FC
-938.4941
158 FC
-944.7934 159 FC -951.0910
160
FC -957.1109
161 FC
-963.7336
162 FC
-970.6320
163
FC
-977.8160
164 FC
-984.1114 165 FC -990.4057
166
FC
-996.5498
167 FC -1,003.5451
168 FC -1,010.7268
169
IC -1,017.6112
170 IC -1,024.7918
171 IC -1,031.9719
172
IC -1,039.1549
173 IC
-1,046.3345 174
IC -1,052.7812
175
IC -1,059.2300
176 IC
-1,065.6781 177
FC
-1,072.6148
178
FC -1,079.0839
179
IC -1,085.4548
180 IC -1,092.6326
181
IC -1,099.4116
182 IC
-1,105.8637
183
IC -1,112.3152
184
IC -1,118.7677
185 IC -1,125.4938 (!!)
186
IC -1,132.6700 (!) 187 IC
-1,139.4557 (!)
188 ID
-1,146.4391
189
ID -1,153.6370
P
Geo.
Potential
P
Geo.
Potential
P Geo. Potential
190 ID -1,161.3019
191 ID
-1,168.4997 192
ID
-1,175.6971 %
193 IC
-1,181.9179 194
IC
-1,189.0947 195
IC -1,196.0921
196 IC
-1,203.2687 197
IC
-1,209.7213 198
IC -1,216.1760
199 IC
-1,222.6277 200
IC
-1,229.1848 X
201
IC -1,236.1243 %
202 IC
-1,243.2986 203
IC
-1,250.1066 204
IC -1,257.3206
205 IC
-1,264.4906 206
IC
-1,271.6632 207
IC -1,278.8387
208 IC
-1,285.8356
209 IC
-1,293.0108
210 IC -1,300.0064
211 IC
-1,307.1813 212
IC
-1,314.1736 213
IC -1,321.3500
214 IC
-1,327.8045 215
IC
-1,334.2582 216
IC -1,340.7112
217 IC
-1,347.2505 218
IC
-1,354.1920 219
IC -1,361.3656
220
IC -1,368.3492
221 IC -1,375.5186
222 IC
-1,382.6909
223
IC -1,389.6873
224 IC -1,396.8590
225 IC
-1,403.8569
226
IC -1,411.0281
227 IC -1,418.0201
228 IC
-1,425.1930
229
IC -1,432.1835
230 IC -1,439.3582
231 IC -1,445.8110
232
IC -1,452.2633
233 IC -1,458.9305
234 IC
-1,465.9235
235
IC -1,473.0954
236 ID -1,480.0343
237 ID
-1,487.2363
238
ID -1,494.4382
239 IC -1,501.3961
240 IC
-1,508.5629
241
IC -1,515.5546
242 IC -1,522.7233
243 IC
-1,529.7121
244
IC -1,536.8828
245 IC -1,544.0276
246 IC
-1,551.2507
247
IC -1,558.4743
248 IC -1,565.6412
249 IC
-1,572.6261
P
Geo.
Potential
P
Geo.
Potential
P Geo. Potential
250 IC -1,579.7950
251 IC -1,586.7764
252 IC -1,593.9473
253
IC -1,600.9249
254 IC -1,608.0977
255 IC -1,615.0704
256
IC -1,622.2456
257 IC -1,629.2131
258 IC
-1,636.3906
259
IC -1,642.1101
260 IC -1,649.1645
261 IC -1,656.3884
262
IC -1,662.8879
263 IC -1,670.0976
264 IC
-1,677.2668
265
IC -1,684.5043
266 IC -1,691.7318
267 IC
-1,698.9593
268
IC -1,706.1826
269 IC -1,713.4052
270 IC
-1,720.3331
271
IC -1,727.5563
272 IC -1,734.5628
273 IC
-1,741.7998
274
IC -1,749.0374
275 IC -1,756.2740
276 IC
-1,763.5107
277
IC -1,770.7371
278 IC -1,777.9640
279 IC
-1,785.1904
280 IC -1,792.4173
281 IC -1,799.3386
282 IC -1,806.5653
283
IC -1,813.5507
284 IC -1,820.7871
285 IC
-1,828.3021
286
IC -1,835.5378
287 IC -1,842.7741
288 IC
-1,850.0108
289
IC -1,857.2460
290 IC -1,864.5094
291 IC -1,872.3353
292
IC -1,881.1932
293 IC -1,888.4274
294 IC
-1,895.6879
295
IC -1,903.5258
296 IC -1,911.4620
297 IC
-1,920.4056
298
IC -1,927.6388
299 IC -1,934.8725
300 IC
-1,942.1068 X
301
IC -1,949.3410
302 IC -1,956.5752
303 IC
-1,963.8100
304
IC -1,971.0441
305 IC -1,978.2788
306 IC
-1,985.5135
307
IC -1,992.7481
308 IC -1,999.9833
309 IC
-2,007.2190
Remarks:
* reported by J.A. Northby, 1987.
X reported by G. Xue, 1994.
% reported by D.
Wales,
J. Doye, p. 5115 of the
article: J
Phys Chem. A, 101, 5111-5116 (1997).
To our knowledge these are all potentials reported before 1998 for 147
to 309
particles.
News:
(!)
Dr. Bernd
Hartke
reported 3 new minimal potentials for the clusters: 185 (-1125.304876),
186
(-1132.669966), and 187 (-1139.455696) [Sep 24, 1999].
(!!) Dr. Bob Leary 185 (-1125.4938). San Diego Supercomputer Center
[Jan 21,
2000].
I will be
very glad to
update this table if I omit a previous result or someone finds a new
optimal
potential.
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Lennard-Jones
