The Dzugutov potential has been extensively used to study the properties of supercooled liquids. As our results illustrate it has a strong tendency for icosahedral and polytetrahedral order.

More information on the lowest-energy minima that we found for the original and a modified form of the the Dzugutov potential can be accessed from the following pages:

• Original

Dzugutov Clusters: Table of Global Minima




Global minima for Dzugutov clusters up to N=100. 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
3	D3h	-1.744308		36	C2v	-73.059795		69	C1	-147.488509
4	Td	-3.488617		37	D5d	-75.473295		70	Cs	-149.924691
5	D3h	-5.194997		38	D6h	-78.212691		71	C1	-151.775786
6	C2v	-6.895466		39	Cs	-80.028043		72	C1	-154.077804
7	D5h	-9.110478		40	C1	-82.007765		73	C1	-156.300056
8	Cs	-10.800965		41	Cs	-84.193592		74	C1	-158.621949
9	C2v	-13.004336		42	C2v	-86.888348		75	Cs	-161.127938
10	C3v	-15.182299		43	C1	-88.707201		76	D3d	-163.427645
11	C2v	-17.354191		44	Cs	-91.021780		77	Cs	-165.950395
12	C5v	-19.973962		45	C2	-92.914141		78	C1	-168.012336
13	Ih	-23.206834		46	C2v	-95.600895		79	Cs	-170.278007
14	C3v	-24.800150		47	Cs	-97.424527		80	Cs	-172.684322
15	C2v	-26.892331		48	C1	-99.877799		81	C1	-174.703554
16	Cs	-28.935002		49	C1	-101.992888		82	C1	-177.379501
17	Cs	-31.071373		50	C1	-104.366190		83	C1	-179.785948
18	Cs	-33.388902		51	C1	-106.628459		84	C1	-182.318738
19	D5h	-36.387297		52	C2	-109.182997		85	C2	-185.035277
20	C2v	-38.185980		53	C1	-111.160304		86	D3	-188.011095
21	C1	-40.164779		54	C1	-113.571440		87	C1	-190.060568
22	Cs	-42.232479		55	Cs	-115.796712		88	C2	-192.537449
23	D3h	-45.097045		56	Cs	-118.113023		89	C1	-194.585540
24	Cs	-46.967533		57	Td	-120.619381		90	C2	-197.065663
25	C2v	-49.351951		58	C2h	-122.721838		91	C1	-199.110106
26	Cs	-51.162031		59	Cs	-125.168480		92	D3	-201.595867
27	C2v	-53.321668		60	Cs	-127.515076		93	C1	-203.620819
28	C2v	-55.482764		61	C1	-129.438766		94	C1	-205.650655
29	Cs	-58.091939		62	Cs	-131.779964		95	C1	-207.981315
30	C1	-59.907899		63	C1	-133.838716		96	C1	-210.175003
31	D5h	-62.387189		64	C1	-136.236101		97	C1	-212.509621
32	Cs	-64.064478		65	Cs	-138.685418		98	C1	-214.553532
33	D3d	-66.893638		66	Cs	-141.219450		99	C1	-216.884240
34	C1	-68.696811		67	D2d	-143.476004		100	C1	-219.523265
35	C2	-71.134071		68	C1	-145.565041





• Modified

• Dzugutov Clusters: Table of Global Minima

  
  

  Global minima for clusters interacting with a modified Dzugutov potential up to N=250. 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 Energy PG   N Energy PG   N Energy PG   N Energy PG 3 -1.744402 D3h   65 -155.955677 C1   127 -325.339424 Cs   189 -495.942049 C1 4 -3.488804 Td   66 -158.687752 Cs   128 -328.481644 C1   190 -498.979984 Cs 5 -5.230623 D3h   67 -161.395812 Cs   129 -331.624346 D3d   191 -501.995425 C1 6 -6.972190 C2v   68 -164.048584 Cs   130 -334.018766 Cs   192 -504.990969 Cs 7 -9.278569 D5h   69 -166.758709 C1   131 -336.411288 Cs   193 -507.758670 Cs 8 -11.019910 Cs   70 -169.553149 C1   132 -338.546275 C1   194 -510.514675 Cs 9 -13.318503 C2v   71 -172.295762 C1   133 -340.992261 Cs   195 -513.275944 Cs 10 -15.594865 C3v   72 -175.317810 Cs   134 -343.386067 Cs   196 -516.069733 Cs 11 -17.862780 C2v   73 -178.121733 C1   135 -345.725412 C1   197 -519.103811 Cs 12 -20.635915 C5v   74 -180.982763 Cs   136 -347.997584 C1   198 -522.120405 C1 13 -24.051801 Ih   75 -184.127526 Cs   137 -350.766455 C1   199 -525.140946 Cs 14 -25.764585 C3v   76 -187.266699 D3d   138 -353.530975 C1   200 -527.938814 C1 15 -28.019093 C2v   77 -189.688486 Cs   139 -356.286129 C1   201 -530.783661 C2 16 -30.249290 Cs   78 -192.102920 C2h   140 -359.314799 C1   202 -533.926525 Cs 17 -32.483563 Cs   79 -194.241669 C1   141 -362.361755 C1   203 -537.069482 D3d 18 -35.147124 C5v   80 -196.619379 Cs   142 -365.379193 C1   204 -539.315770 C1 19 -38.476478 D5h   81 -199.060782 C1   143 -368.178403 C1   205 -541.535988 C1 20 -40.589581 C2v   82 -201.479005 C1   144 -371.078591 Cs   206 -543.802452 C1 21 -42.776585 C1   83 -204.196308 C1   145 -374.194582 C1   207 -546.451246 C1 22 -45.304102 Cs   84 -206.897985 C1   146 -377.310684 Cs   208 -548.701906 C1 23 -48.508446 D3h   85 -209.557894 C1   147 -379.563552 C1   209 -551.180158 C1 24 -50.577230 Cs   86 -212.187622 C1   148 -382.501473 D3h   210 -554.186438 Cs 25 -52.988623 Cs   87 -214.757546 C1   149 -384.883926 C3v   211 -556.962163 C1 26 -56.096674 Td   88 -217.716297 C1   150 -387.614929 C2v   212 -559.731739 Cs 27 -58.297470 C2v   89 -220.520602 C1   151 -390.365274 C2v   213 -562.381470 C1 28 -60.475145 Cs   90 -223.524480 C2v   152 -393.160225 Cs   214 -565.313964 C1 29 -63.435583 D3h   91 -226.323374 Cs   153 -396.204035 C2   215 -568.335470 Cs 30 -65.681600 C2v   92 -229.176899 C2   154 -399.239152 C1   216 -571.189098 C1 31 -67.794580 C2   93 -232.313913 C1   155 -402.274562 C2v   217 -574.218315 Cs 32 -70.566450 C2v   94 -235.451751 C2v   156 -405.041406 Cs   218 -577.149428 Cs 33 -72.452381 C1   95 -237.878467 Cs   157 -407.800188 C2v   219 -580.265170 C3v 34 -75.192937 D2d   96 -240.308539 C2v   158 -410.541136 Cs   220 -583.001198 Cs 35 -77.118793 C1   97 -242.517148 C1   159 -413.336692 Cs   221 -586.142533 C3v 36 -80.103943 C2v   98 -244.805836 C1   160 -416.371711 C2   222 -588.366881 Cs 37 -82.816360 Cs   99 -247.234168 C1   161 -419.392898 C1   223 -590.518248 C1 38 -86.062572 D6h   100 -249.881880 Cs   162 -422.418186 C2v   224 -593.227871 Cs 39 -88.605029 C6v   101 -252.621530 Cs   163 -425.215226 Cs   225 -596.171693 C1 40 -90.810887 D6h   102 -255.290925 Cs   164 -428.055502 Cs   226 -599.209107 C1 41 -92.949641 C2v   103 -257.529456 Cs   165 -431.196530 Cs   227 -602.224542 C1 42 -96.065006 C2v   104 -260.452780 C1   166 -434.337989 Td   228 -605.212512 C1 43 -98.556421 Cs   105 -263.408170 C1   167 -436.699059 C3v   229 -607.979778 C1 44 -100.726432 Cs   106 -266.214030 C1   168 -439.052263 C2v   230 -610.736427 C1 45 -102.895923 Cs   107 -269.194381 Cs   169 -441.177936 C2v   231 -613.502734 C1 46 -106.070409 C2v   108 -271.999994 C1   170 -443.722067 Cs   232 -616.296965 C1 47 -108.514224 Cs   109 -274.869147 Cs   171 -446.028040 C1   233 -619.332390 C1 48 -110.890752 Cs   110 -278.004201 Cs   172 -448.448178 C1   234 -622.349813 C1 49 -113.527851 C1   111 -281.138054 C3v   173 -451.454485 Cs   235 -625.370000 C1 50 -116.109835 C1   112 -283.636920 C2h   174 -454.229854 C1   236 -628.168597 C1 51 -118.908345 C1   113 -285.961400 C1   175 -456.998946 Cs   237 -631.074777 C2v 52 -121.631919 C1   114 -288.167084 C1   176 -459.634473 C1   238 -634.190226 Cs 53 -124.620929 C2v   115 -290.935392 C1   177 -462.579581 C1   239 -637.303484 C2v 54 -127.430104 Cs   116 -293.739063 C1   178 -465.605637 Cs   240 -639.664725 Cs 55 -130.257983 C2v   117 -296.526750 C1   179 -468.436352 C1   241 -641.793084 C1 56 -133.417582 Cs   118 -299.545878 Cs   180 -471.457883 Cs   242 -644.161788 C1 57 -136.584769 Td   119 -302.316582 C1   181 -474.416285 Cs   243 -646.686280 C1 58 -139.042652 C3v   120 -305.084568 C1   182 -477.528650 C3v   244 -648.815448 C1 59 -141.404086 C2v   121 -307.848193 C1   183 -480.236450 C1   245 -651.654423 Cs 60 -144.143788 C3v   122 -310.619449 Cs   184 -483.382667 D3h   246 -654.400741 Cs 61 -146.602408 C3v   123 -313.625290 Cs   185 -485.649898 Cs   247 -657.001095 Cs 62 -148.883783 Cs   124 -316.671994 C1   186 -487.786110 C1   248 -659.725777 Cs 63 -151.018937 Cs   125 -319.695982 Cs   187 -490.410926 Cs   249 -662.539357 Cs 64 -153.212907 Cs   126 -322.494492 Cs   188 -492.884737 Cs   250 -665.554781 C1

  
  

Points files for each minimum are accessible from the Tables.

• J.P.K. Doye, D.J. Wales and S. I. Simdyankin, Faraday Discuss. 118, 159-170 (2001)
  Global Optimization and the Energy Landscapes of Dzugutov Clusters
  


• J.P.K. Doye and D.J. Wales, Phys. Rev. Lett. 86, 5719-5722 (2001)
  Polytetrahedral Clusters