|
Database |
-
Murrell-Mottram Na Clusters: Table of Global Minima
Global minima for clusters interacting with the Murrell-Mottram potential up to N=380.
For each minimum the energy and point group are given.
Click on a label to access the points file for the structure in Cartesian coordinates.
Alternatively, click here to access a tar file containing all the points.
N |
PG |
Energy |
|
N |
PG |
Energy |
|
N |
PG |
Energy |
|
N |
PG |
Energy |
|
N |
PG |
Energy |
10 |
C3v |
-5.6074 |
|
86 |
C3 |
-74.0513 |
|
162 |
C1 |
-147.7420 |
|
238 |
C1 |
-223.0562 |
|
314 |
C1 |
-299.7338 |
11 |
C2v |
-6.3651 |
|
87 |
C2v |
-74.8545 |
|
163 |
Cs |
-148.5793 |
|
239 |
C1 |
-223.9348 |
|
315 |
C3v |
-300.7167 |
12 |
C5v |
-7.2427 |
|
88 |
C1 |
-75.8190 |
|
164 |
C1 |
-149.5340 |
|
240 |
C1 |
-224.9502 |
|
316 |
C3v |
-301.7250 |
13 |
Ih |
-8.2378 |
|
89 |
C1 |
-76.8302 |
|
165 |
C1 |
-150.5304 |
|
241 |
C1 |
-225.9655 |
|
317 |
C1 |
-302.6740 |
14 |
C3v |
-8.8671 |
|
90 |
C1 |
-77.8380 |
|
166 |
C1 |
-151.5432 |
|
242 |
C1 |
-226.9807 |
|
318 |
C1 |
-303.6346 |
15 |
C2v |
-9.6478 |
|
91 |
C1 |
-78.8475 |
|
167 |
C1 |
-152.5457 |
|
243 |
C1 |
-227.9934 |
|
319 |
C1 |
-304.6498 |
16 |
Cs |
-10.4216 |
|
92 |
C1 |
-79.8585 |
|
168 |
C1 |
-153.5457 |
|
244 |
C1 |
-229.0058 |
|
320 |
C1 |
-305.6649 |
17 |
C2 |
-11.2000 |
|
93 |
C1 |
-80.6238 |
|
169 |
C1 |
-154.4956 |
|
245 |
C1 |
-230.0222 |
|
321 |
C1 |
-306.6798 |
18 |
C5v |
-12.0303 |
|
94 |
C1 |
-81.6204 |
|
170 |
C1 |
-155.5107 |
|
246 |
C5 |
-231.1735 |
|
322 |
C1 |
-307.6946 |
19 |
D5h |
-13.0174 |
|
95 |
C3 |
-82.6186 |
|
171 |
C1 |
-156.5257 |
|
247 |
C5 |
-232.1884 |
|
323 |
Cs |
-308.7059 |
20 |
C2v |
-13.7841 |
|
96 |
C1 |
-83.4001 |
|
172 |
C1 |
-157.5400 |
|
248 |
C5 |
-233.2033 |
|
324 |
C1 |
-309.7162 |
21 |
C2 |
-14.5589 |
|
97 |
C1 |
-84.4050 |
|
173 |
C1 |
-158.5540 |
|
249 |
C1 |
-234.2161 |
|
325 |
C1 |
-310.7253 |
22 |
Cs |
-15.3663 |
|
98 |
C1 |
-85.4149 |
|
174 |
C1 |
-159.5683 |
|
250 |
C1 |
-235.2291 |
|
326 |
C1 |
-311.6066 |
23 |
D3h |
-16.3342 |
|
99 |
C1 |
-86.4250 |
|
175 |
C1 |
-160.5833 |
|
251 |
C1 |
-236.2427 |
|
327 |
C1 |
-312.6218 |
24 |
D3 |
-17.1525 |
|
100 |
C1 |
-87.4337 |
|
176 |
C5 |
-161.5983 |
|
252 |
C1 |
-237.2562 |
|
328 |
C1 |
-313.6267 |
25 |
C3 |
-18.0055 |
|
101 |
D3 |
-88.4433 |
|
177 |
C5 |
-162.6123 |
|
253 |
C1 |
-238.2701 |
|
329 |
C1 |
-314.6424 |
26 |
Td |
-18.8419 |
|
102 |
C1 |
-89.2340 |
|
178 |
C5 |
-163.6260 |
|
254 |
C1 |
-239.2809 |
|
330 |
C1 |
-315.6574 |
27 |
C1 |
-19.6607 |
|
103 |
C2 |
-90.2411 |
|
179 |
C1 |
-164.4778 |
|
255 |
C1 |
-240.2923 |
|
331 |
C1 |
-316.6724 |
28 |
T |
-20.6634 |
|
104 |
C1 |
-91.2126 |
|
180 |
C1 |
-165.4905 |
|
256 |
C1 |
-241.3035 |
|
332 |
C1 |
-317.6870 |
29 |
C3 |
-21.4457 |
|
105 |
C1 |
-92.0246 |
|
181 |
C1 |
-166.5017 |
|
257 |
C1 |
-242.3150 |
|
333 |
C1 |
-318.7014 |
30 |
Cs |
-22.2426 |
|
106 |
C1 |
-92.9983 |
|
182 |
C1 |
-167.5129 |
|
258 |
C1 |
-243.3271 |
|
334 |
C1 |
-319.7124 |
31 |
C2 |
-23.1592 |
|
107 |
C1 |
-94.0072 |
|
183 |
C1 |
-168.5239 |
|
259 |
C1 |
-244.0646 |
|
335 |
C1 |
-320.7228 |
32 |
D3 |
-24.1273 |
|
108 |
C1 |
-94.9614 |
|
184 |
D3d |
-169.5349 |
|
260 |
C1 |
-244.9693 |
|
336 |
C1 |
-321.5709 |
33 |
C2 |
-24.9408 |
|
109 |
C1 |
-95.9676 |
|
185 |
C1 |
-170.2937 |
|
261 |
C1 |
-245.9393 |
|
337 |
C1 |
-322.5865 |
34 |
T |
-25.8508 |
|
110 |
C2 |
-96.9738 |
|
186 |
C1 |
-171.3060 |
|
262 |
C1 |
-246.9498 |
|
338 |
C1 |
-323.6023 |
35 |
D3 |
-26.7352 |
|
111 |
C1 |
-97.9239 |
|
187 |
C1 |
-172.3175 |
|
263 |
C1 |
-247.9618 |
|
339 |
C1 |
-324.6175 |
36 |
C2 |
-27.6260 |
|
112 |
C1 |
-98.9292 |
|
188 |
C1 |
-173.3278 |
|
264 |
C1 |
-248.9148 |
|
340 |
C1 |
-325.6422 |
37 |
C2 |
-28.4760 |
|
113 |
C1 |
-99.9359 |
|
189 |
C1 |
-174.3382 |
|
265 |
C1 |
-249.9317 |
|
341 |
C1 |
-326.6508 |
38 |
C1 |
-29.3991 |
|
114 |
C2 |
-100.9443 |
|
190 |
C1 |
-175.3490 |
|
266 |
C1 |
-250.9465 |
|
342 |
C1 |
-327.6648 |
39 |
C5 |
-30.3957 |
|
115 |
Cs |
-101.9581 |
|
191 |
C1 |
-176.1771 |
|
267 |
C1 |
-251.9608 |
|
343 |
C1 |
-328.6727 |
40 |
C1 |
-31.1968 |
|
116 |
D5h |
-102.9720 |
|
192 |
C1 |
-177.1917 |
|
268 |
C1 |
-252.9737 |
|
344 |
C1 |
-329.7064 |
41 |
C1 |
-32.0456 |
|
117 |
Cs |
-103.7341 |
|
193 |
C1 |
-178.2065 |
|
269 |
C1 |
-253.9848 |
|
345 |
C1 |
-330.7683 |
42 |
D2 |
-33.0462 |
|
118 |
C1 |
-104.6432 |
|
194 |
C1 |
-179.2217 |
|
270 |
C1 |
-254.9955 |
|
346 |
C1 |
-331.8140 |
43 |
C1 |
-33.8536 |
|
119 |
C1 |
-105.6494 |
|
195 |
C1 |
-180.2353 |
|
271 |
C1 |
-256.0036 |
|
347 |
C1 |
-332.9797 |
44 |
Cs |
-34.7272 |
|
120 |
C1 |
-106.6011 |
|
196 |
C1 |
-181.2489 |
|
272 |
C1 |
-257.0397 |
|
348 |
C5 |
-333.9998 |
45 |
D3 |
-35.7071 |
|
121 |
C1 |
-107.6090 |
|
197 |
C1 |
-182.2625 |
|
273 |
C1 |
-258.0615 |
|
349 |
C1 |
-335.0156 |
46 |
C2 |
-36.6464 |
|
122 |
C1 |
-108.6178 |
|
198 |
C1 |
-183.2759 |
|
274 |
C1 |
-259.0847 |
|
350 |
C1 |
-336.0307 |
47 |
C1 |
-37.4999 |
|
123 |
C1 |
-109.4185 |
|
199 |
C1 |
-184.2891 |
|
275 |
C1 |
-260.0997 |
|
351 |
C1 |
-337.0462 |
48 |
C1 |
-38.4412 |
|
124 |
C1 |
-110.4344 |
|
200 |
C1 |
-185.3024 |
|
276 |
C1 |
-261.1147 |
|
352 |
C1 |
-338.0623 |
49 |
C3v |
-39.4337 |
|
125 |
C1 |
-111.4373 |
|
201 |
C1 |
-186.1824 |
|
277 |
C1 |
-262.1296 |
|
353 |
C1 |
-339.0782 |
50 |
C1 |
-40.2749 |
|
126 |
C1 |
-112.3255 |
|
202 |
C1 |
-187.1941 |
|
278 |
C1 |
-263.1327 |
|
354 |
C1 |
-340.0935 |
51 |
C2v |
-41.2874 |
|
127 |
C2 |
-113.3551 |
|
203 |
C1 |
-188.2059 |
|
279 |
C1 |
-264.1534 |
|
355 |
C1 |
-341.1092 |
52 |
C3v |
-42.2995 |
|
128 |
C1 |
-114.3598 |
|
204 |
C1 |
-189.2107 |
|
280 |
C1 |
-265.1598 |
|
356 |
C1 |
-342.1242 |
53 |
C2v |
-43.3111 |
|
129 |
C2 |
-115.3646 |
|
205 |
C1 |
-190.2158 |
|
281 |
C1 |
-266.1623 |
|
357 |
D3d |
-343.2003 |
54 |
C5v |
-44.3226 |
|
130 |
C1 |
-116.3671 |
|
206 |
C1 |
-191.2211 |
|
282 |
C1 |
-267.1657 |
|
358 |
C1 |
-344.2141 |
55 |
Ih |
-45.3340 |
|
131 |
C2 |
-117.3698 |
|
207 |
C1 |
-192.1761 |
|
283 |
C1 |
-268.1978 |
|
359 |
C1 |
-345.2281 |
56 |
Cs |
-46.0370 |
|
132 |
C1 |
-118.2338 |
|
208 |
C1 |
-193.1896 |
|
284 |
C3v |
-269.2552 |
|
360 |
C1 |
-346.2417 |
57 |
C2v |
-46.8569 |
|
133 |
C1 |
-119.2612 |
|
209 |
C1 |
-194.2029 |
|
285 |
C3v |
-270.2973 |
|
361 |
C1 |
-347.2531 |
58 |
C3v |
-47.7698 |
|
134 |
Ih |
-120.3335 |
|
210 |
C1 |
-195.2163 |
|
286 |
Cs |
-271.3126 |
|
362 |
C1 |
-348.2670 |
59 |
C3v |
-48.7277 |
|
135 |
Ih |
-121.4021 |
|
211 |
C1 |
-196.2295 |
|
287 |
Cs |
-272.3279 |
|
363 |
C1 |
-349.2806 |
60 |
D3 |
-49.5772 |
|
136 |
C5v |
-122.4167 |
|
212 |
C1 |
-197.2426 |
|
288 |
Cs |
-273.3431 |
|
364 |
C1 |
-350.2941 |
61 |
C2v |
-50.5042 |
|
137 |
C2v |
-123.4313 |
|
213 |
C1 |
-198.2557 |
|
289 |
Cs |
-274.3583 |
|
365 |
C1 |
-351.3049 |
62 |
C1 |
-51.4584 |
|
138 |
C3v |
-124.4459 |
|
214 |
C1 |
-199.2681 |
|
290 |
C5v |
-275.4555 |
|
366 |
C1 |
-352.3156 |
63 |
C2v |
-52.3115 |
|
139 |
C1 |
-125.4605 |
|
215 |
C1 |
-200.2811 |
|
291 |
C5v |
-276.5585 |
|
367 |
C1 |
-353.3261 |
64 |
D3 |
-53.2475 |
|
140 |
C1 |
-126.4750 |
|
216 |
C1 |
-201.2946 |
|
292 |
C5v |
-277.5877 |
|
368 |
C1 |
-354.3367 |
65 |
C1 |
-54.1928 |
|
141 |
C5v |
-127.4895 |
|
217 |
C1 |
-202.0898 |
|
293 |
C1 |
-278.6264 |
|
369 |
C1 |
-355.3467 |
66 |
C1 |
-55.0278 |
|
142 |
C1 |
-128.5040 |
|
218 |
C1 |
-203.1019 |
|
294 |
C1 |
-279.7091 |
|
370 |
C1 |
-356.2072 |
67 |
C1 |
-56.0159 |
|
143 |
C2v |
-129.5184 |
|
219 |
C1 |
-204.1133 |
|
295 |
C1 |
-280.7920 |
|
371 |
C1 |
-357.2202 |
68 |
C1 |
-56.9481 |
|
144 |
C3 |
-130.5328 |
|
220 |
C1 |
-205.1196 |
|
296 |
Ih |
-281.9772 |
|
372 |
C1 |
-358.2305 |
69 |
C1 |
-57.9609 |
|
145 |
C2v |
-131.5472 |
|
221 |
C1 |
-206.1258 |
|
297 |
Ih |
-283.0030 |
|
373 |
C1 |
-359.2433 |
70 |
C5 |
-58.9705 |
|
146 |
C5v |
-132.5615 |
|
222 |
C1 |
-207.1324 |
|
298 |
C5v |
-284.0183 |
|
374 |
C1 |
-360.2560 |
71 |
C5 |
-59.9789 |
|
147 |
Ih |
-133.5758 |
|
223 |
C1 |
-208.1091 |
|
299 |
C1 |
-285.0336 |
|
375 |
C1 |
-361.2704 |
72 |
C2 |
-60.8163 |
|
148 |
Cs |
-134.2823 |
|
224 |
C1 |
-209.1224 |
|
300 |
C3v |
-286.0489 |
|
376 |
C1 |
-362.2839 |
73 |
C1 |
-61.7412 |
|
149 |
C1 |
-135.1735 |
|
225 |
C1 |
-210.1356 |
|
301 |
C1 |
-287.0642 |
|
377 |
C1 |
-363.2985 |
74 |
D3d |
-62.7494 |
|
150 |
C3v |
-136.1398 |
|
226 |
C1 |
-211.1488 |
|
302 |
C1 |
-288.0795 |
|
378 |
C1 |
-364.3114 |
75 |
C2 |
-63.5583 |
|
151 |
C1 |
-137.0336 |
|
227 |
C1 |
-212.1621 |
|
303 |
C2 |
-289.0948 |
|
379 |
C1 |
-365.3255 |
76 |
C1 |
-64.4937 |
|
152 |
C1 |
-137.9820 |
|
228 |
C1 |
-213.1754 |
|
304 |
C1 |
-290.1101 |
|
380 |
C1 |
-366.3360 |
77 |
C2 |
-65.5011 |
|
153 |
C1 |
-138.9290 |
|
229 |
C1 |
-214.1880 |
|
305 |
C1 |
-291.1254 |
78 |
C1 |
-66.3403 |
|
154 |
C1 |
-139.9184 |
|
230 |
C1 |
-215.2003 |
|
306 |
C3v |
-292.1407 |
79 |
C1 |
-67.2995 |
|
155 |
Cs |
-140.9276 |
|
231 |
C1 |
-216.2120 |
|
307 |
C1 |
-293.1560 |
80 |
D3 |
-68.3044 |
|
156 |
C1 |
-141.9340 |
|
232 |
C1 |
-217.2237 |
|
308 |
C1 |
-294.1712 |
81 |
C1 |
-69.2047 |
|
157 |
C1 |
-142.8167 |
|
233 |
C1 |
-218.0097 |
|
309 |
Ih |
-295.1865 |
82 |
C1 |
-70.2127 |
|
158 |
C1 |
-143.7702 |
|
234 |
C1 |
-219.0215 |
|
310 |
Cs |
-295.8981 |
83 |
C1 |
-71.2208 |
|
159 |
C2v |
-144.7222 |
|
235 |
C1 |
-220.0324 |
|
311 |
Cs |
-296.7961 |
84 |
C1 |
-72.0590 |
|
160 |
C1 |
-145.7300 |
|
236 |
C2 |
-221.0434 |
|
312 |
C3v |
-297.7647 |
85 |
C1 |
-73.0545 |
|
161 |
C1 |
-146.7359 |
|
237 |
C1 |
-222.0498 |
|
313 |
C1 |
-298.7500 |
|
|
|