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 |
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Return to The Cambridge Energy Landscape Database.
Florent Calvo
12/12/2000