Lennard-Jones clusters LJn which change global minimum in the range n<100. Energies are given in reduced units. For each size and species, the global minimum is underlined.
Click on a label to access the points file for the structure in Cartesian coordinates, or click here to access a tar file containing all the points. 
Size LJ  Xe  Ar  Ne  Point group
17A -61.31799 -58.67010 -53.37432 -36.16303 C2
17B -61.30715 -58.66663 -53.38558 -36.22220 C1
17C -61.29677 -58.65869 -53.38252 -36.23500 C3v
27A -112.87358 -108.39326 -99.43260 -70.31047 C2v
27B -112.82552 -108.36345 -99.43933 -70.43591 Cs
28A -117.82240 -113.17888 -103.89184 -73.70896 Cs
28B -117.77796 -113.15275 -103.90233 -73.83847 Cs
30A -128.28657 -123.28348 -113.27730 -80.75721 C2v
30B -128.18159 -123.19482 -113.22127 -80.80723 C2v
31A -133.58642 -128.10441 -117.14038 -81.50730 Cs
31B -133.29382 -128.09768 -117.70540 -83.93050 C1
31C -133.10462 -127.95444 -117.65409 -84.17793 C1
32A -139.63552 -133.92825 -122.51370 -85.41642 C2v
32B -138.82361 -133.49788 -122.84641 -88.22915 C2v
33A -144.84272 -138.93097 -127.10748 -88.68112 Cs
33B -143.62217 -138.12974 -127.14487 -91.44405 C1
34A -150.04453 -143.92854 -131.69658 -91.94268 C2v
34B -148.35136 -142.67375 -131.31853 -94.41404 C1
35A -155.75664 -149.42900 -136.77370 -95.64400 C1
35B -153.69548 -147.87074 -136.22127 -98.36049 Cs
36A -161.82536 -155.27306 -142.16846 -99.57849 Cs
36B -158.67622 -152.64841 -140.59281 -101.41208 Cs
37A -167.03367 -160.27716 -146.76413 -102.84679 C1
37B -163.87363 -157.60217 -145.05925 -104.29474 C1
38A -173.92843 -166.82835 -152.62818 -106.47765 Oh
38B -168.51999 -162.08887 -149.22662 -107.42431 C1
44A -207.68873 -199.41647 -182.87197 -129.10232 C1
44B -203.86102 -196.04803 -180.42207 -129.63767 C1
57A -288.34262 -277.18618 -254.87328 -182.35636 Cs
57B -288.25986 -277.11322 -254.81994 -182.36678 Cs
65A -334.97153 -322.10110 -296.36023 -212.70242 C1
65B -334.96970 -322.10487 -296.37522 -212.75384 C1
65C -334.40250 -321.59841 -295.99023 -212.76365 C1
66A -341.11060 -328.01725 -301.83055 -216.72378 C1
66B -340.76360 -327.72873 -301.65899 -216.93234 C1
67A -347.25201 -333.93058 -307.28773 -220.69848 Cs
67B -347.04976 -333.79675 -307.29074 -221.14620 C1
69A -359.88257 -346.13691 -318.64561 -229.29887 C1
69B -359.66432 -345.96485 -318.56591 -229.51937 C1
72A -378.63725 -364.25211 -335.48181 -241.97835 Cs
72B -378.52399 -364.16254 -335.43963 -242.09019 C1
75A -397.49233 -382.11032 -351.34629 -251.36320 D5h
75B -396.23851 -381.24630 -351.26187 -253.81249 C1
76A -402.89487 -387.32395 -356.18212 -254.97117 Cs
76B -402.38458 -387.15878 -356.70720 -257.73953 C1
76C -401.86214 -386.70554 -356.3923 -257.87437 C1
77A -409.08352 -393.27696 -361.66383 -258.92118 C2v
77B -408.51827 -393.06435 -362.15653 -261.70611 C1
77C -408.15537 -392.78536 -362.04534 -262.14029 C1
78A -414.79440 -399.09829 -367.70607 -265.68137 Cs
78B -414.44251 -398.84030 -367.63587 -266.22148 C1
79A -421.81090 -405.87642 -374.00745 -270.43332 C1
79B -420.70975 -404.89648 -373.26993 -270.48364 C1
82A -440.55043 -423.81738 -390.35129 -281.58650 C1
82B -440.04139 -423.53248 -390.51446 -283.20672 C1
83A -446.92409 -429.96330 -396.04172 -285.79658 C2v
83B -445.80065 -429.10237 -395.70580 -287.16698 C1
84A -452.65721 -435.48096 -401.12844 -289.48276 C1
84B -451.65041 -434.76188 -400.98482 -291.20937 C1
85A -459.05580 -441.81940 -407.34660 -295.31000 C1
85B -457.95441 -440.84385 -406.59572 -295.31855 C1
86A -465.38449 -447.75172 -412.48617 -297.87315 C1
86B -465.23787 -447.82634 -413.00329 -299.82836 C1
87A -472.09816 -454.22568 -418.48072 -302.30959 C1
87B -471.38320 -453.80146 -418.63798 -304.35668 C1
88A -479.03263 -460.90478 -424.64907 -306.81804 C1
88B -476.63177 -458.86300 -423.32546 -307.82846 C1
89A -486.05391 -467.68876 -430.95844 -311.58493 C1
89B -483.18372 -465.22791 -429.29627 -312.51846 C1
90A -492.43391 -473.84183 -436.65766 -315.80912 Cs
90B -488.94706 -470.78916 -434.47334 -316.44695 C1
92A -505.18531 -486.13999 -448.04937 -324.25482 Cs
92B -502.36642 -483.65137 -446.22129 -324.57352 C1
93A -510.87769 -491.61396 -453.08652 -327.87231 Cs
93B -507.48868 -488.68053 -451.06425 -328.81132 C1
98A -543.66536 -523.06651 -481.86880 -347.97626 Td
98B -543.64296 -523.20337 -482.32420 -349.46688 Cs
           


[Back] Return to The Cambridge Cluster Database.

Florent Calvo

12/12/2000