Global minima for clusters interacting with a binary Lennard-Jones potential up to N=100 for various size ratios, sigmaBB/sigmaAA. 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.
| 1.05 | 1.1 | 1.15 | 1.2 | 1.25 | 1.3 | ||||||||||||
| N | PG | Energy | PG | Energy | PG | Energy | PG | Energy | PG | Energy | PG | Energy | |||||
| 5 | D3h | -9.111507 | D3h | -9.119302 | D3h | -9.127219 | D3h | -9.135241 | D3h | -9.143350 | D3h | -9.151532 | |||||
| 6 | D4h | -12.712962 | D4h | -12.715734 | D4h | -12.720554 | D4h | -12.727718 | D4h | -12.737707 | D4h | -12.751325 | |||||
| 7 | D5h | -16.547241 | C2v | -16.557098 | C2v | -16.562111 | C2v | -16.565375 | C2v | -16.572175 | C2v | -16.576776 | |||||
| 8 | C1 | -19.887476 | C2v | -19.948687 | C2v | -20.102320 | C2v | -20.233378 | C2v | -20.333773 | C2v | -20.400814 | |||||
| 9 | C2v | -24.234145 | Cs | -24.300649 | C2v | -24.364017 | Cs | -24.442494 | Cs | -24.533074 | C2v | -24.644760 | |||||
| 10 | C3v | -28.641948 | C3v | -28.771585 | Cs | -28.863192 | Cs | -28.963939 | D3h | -29.502679 | D3h | -29.896713 | |||||
| 11 | C2v | -33.127634 | C2v | -33.371304 | C3v | -33.571031 | Cs | -33.966602 | C2 | -34.345763 | D4d | -34.749685 | |||||
| 12 | C5v | -38.629544 | C5v | -38.954245 | Cs | -39.016600 | Cs | -39.055815 | Cs | -39.087588 | C1 | -39.203335 | |||||
| 13 | Ih | -45.166580 | Ih | -45.543272 | Ih | -45.577215 | C2v | -45.553927 | C5v | -45.592206 | C5v | -45.601094 | |||||
| 14 | C3v | -48.678921 | C3v | -49.049816 | C3v | -49.252081 | C3v | -49.327774 | C1 | -49.361851 | Cs | -49.421887 | |||||
| 15 | Cs | -53.167589 | Cs | -53.599281 | C2v | -53.874698 | C2v | -54.064278 | C2v | -54.163210 | Cs | -54.222875 | |||||
| 16 | Cs | -57.758981 | Cs | -58.279990 | C1 | -58.561496 | Cs | -58.855874 | Cs | -59.067444 | C2v | -59.470682 | |||||
| 17 | C3v | -62.419138 | C3v | -63.059172 | C3v | -63.367529 | C2 | -63.715344 | C2 | -64.365365 | Cs | -64.790023 | |||||
| 18 | C5v | -68.022619 | C5v | -68.792764 | C5v | -69.162203 | C5v | -69.601233 | C5v | -69.915015 | C5v | -70.151377 | |||||
| 19 | D5h | -74.524048 | D5h | -75.433396 | D5h | -75.742422 | D5h | -76.235787 | D5h | -76.589260 | D5h | -76.859376 | |||||
| 20 | C2v | -79.067291 | C2v | -80.143826 | C2v | -80.606044 | Cs | -81.049244 | Cs | -81.465579 | Cs | -81.777835 | |||||
| 21 | Cs | -83.735808 | C2v | -84.978975 | C2v | -85.558493 | C2v | -85.958319 | C2 | -86.397935 | C1 | -86.806107 | |||||
| 22 | Cs | -89.272798 | C1 | -90.682088 | Cs | -91.377400 | Cs | -91.867225 | Cs | -92.368564 | Cs | -92.720013 | |||||
| 23 | D3h | -95.813706 | C3v | -97.429591 | C2v | -98.124846 | C2v | -98.645805 | C2v | -99.186042 | D3h | -99.606519 | |||||
| 24 | Cs | -100.407430 | Cs | -102.241482 | Cs | -103.094695 | C1 | -103.594194 | Cs | -104.215802 | Cs | -104.674634 | |||||
| 25 | Cs | -105.878653 | Cs | -108.045220 | Cs | -108.973915 | Cs | -109.567066 | Cs | -110.182559 | Cs | -110.621882 | |||||
| 26 | Td | -112.438253 | Td | -114.892839 | Td | -115.856394 | C3v | -116.459773 | C3v | -117.119402 | C3v | -117.480017 | |||||
| 27 | Cs | -116.926080 | Cs | -119.543605 | Cs | -120.824602 | C1 | -121.413505 | Cs | -122.140725 | Cs | -122.587527 | |||||
| 28 | Cs | -122.322287 | Cs | -125.296607 | Cs | -126.686572 | Cs | -127.341138 | Cs | -128.036984 | Cs | -128.415202 | |||||
| 29 | D3h | -128.795218 | D3h | -132.108090 | D3h | -133.610721 | Cs | -134.246055 | C2v | -134.974912 | C2v | -135.341699 | |||||
| 30 | C2v | -133.409767 | C2v | -136.742249 | C2v | -138.632308 | C1 | -139.296381 | C1 | -139.997093 | Cs | -140.582023c | |||||
| 31 | Cs | -138.662748c | C1 | -142.433255 | C1 | -144.488697 | C1 | -145.238298 | C1 | -145.962936 | C1 | -146.516926c | |||||
| 32 | C2v | -145.044787 | C2v | -149.212031 | C2v | -151.384854 | C1 | -152.149159 | Cs | -152.905938 | C2 | -153.348422 | |||||
| 33 | Cs | -150.010109 | Cs | -154.633546 | Cs | -157.272375 | Cs | -158.185112 | Cs | -159.258976 | Cs | -159.598157 | |||||
| 34 | D5h | -156.228179 | D5h | -161.360048 | D5h | -164.222021 | C5v | -165.168631 | C5v | -166.318301 | C5v | -166.653616 | |||||
| 35 | C3v | -161.190333 | C3v | -166.185706 | C3v | -168.882563 | Cs | -170.282025 | Cs | -171.344302 | Cs | -171.853006 | |||||
| 36 | C1 | -166.111652c | Cs | -171.524014 | Cs | -174.798837 | Cs | -176.347917 | Cs | -177.367846 | Cs | -177.844845 | |||||
| 37 | Cs | -172.189967 | Cs | -178.167061 | Cs | -181.675233 | Cs | -183.248506 | Cs | -184.345543 | Cs | -184.724505 | |||||
| 38 | Cs | -177.209085 | Cs | -183.371989 | C1 | -187.367687 | C1 | -189.280007 | C1 | -190.778073 | C1 | -191.184019 | |||||
| 39 | C2v | -183.003251 | C2v | -189.903875 | C2v | -194.229977 | C5v | -196.261792 | C5v | -197.847765 | C2v | -198.228135 | |||||
| 40 | Cs | -188.146744 | Cs | -195.024681 | Cs | -199.703534 | Cs | -203.169138 | Cs | -204.897420 | Cs | -204.963823 | |||||
| 41 | C2 | -193.743072 | C3v | -201.346753 | C3v | -206.479560 | C2v | -210.149549 | C2v | -212.023029 | Cs | -212.073757 | |||||
| 42 | Cs | -199.257511 | Cs | -207.024045 | C3v | -212.864370 | C3v | -217.116931 | C3v | -219.151586 | C3v | -219.163369 | |||||
| 43 | C1 | -205.003305c | C2v | -213.011525 | C2v | -219.440909 | C2v | -224.072028 | C2v | -226.283209 | C2v | -226.239574 | |||||
| 44 | Cs | -210.978612 | C5v | -218.600859 | C5v | -226.066862 | C5v | -231.099052 | C5v | -233.490683 | C5v | -233.385520 | |||||
| 45 | C1 | -216.856331 | Ih | -224.652192 | Ih | -232.763363 | Ih | -238.202225 | Ih | -240.774604 | Ih | -240.676356 | |||||
| 46 | Cs | -223.210589 | C1 | -229.387288b | C2v | -237.126607 | C2v | -242.531934 | C2v | -245.105004 | C1 | -245.364214 | |||||
| 47 | C1 | -228.725544 | Cs | -234.934267c | Cs | -242.723641 | Cs | -248.218022 | Cs | -251.068364 | Cs | -251.181462 | |||||
| 48 | C1 | -235.079224 | C3v | -240.845542 | C3v | -249.375588 | C3v | -255.212873 | C3v | -258.051347 | C3v | -258.057115 | |||||
| 49 | Cs | -242.011604 | Cs | -247.555272 | Cs | -254.328385 | C1 | -260.339254 | C1 | -263.648530 | C1 | -264.146588 | |||||
| 50 | Cs | -247.882695 | Cs | -254.363907 | C2v | -260.903328 | C2v | -267.329407 | C2v | -270.658086 | Cs | -271.250575 | |||||
| 51 | C2v | -254.916947 | D6d | -261.263002 | D3d | -265.962776c | C1 | -272.214736 | C1 | -276.007398 | Cs | -277.913411 | |||||
| 52 | C3v | -261.953177 | Cs | -266.585540 | Cs | -272.093082 | Cs | -279.115531 | Cs | -282.974620 | Cs | -285.100422 | |||||
| 53 | C2v | -268.991573 | C2 | -271.915714 | Cs | -277.756061 | Cs | -284.687258 | Cs | -289.573568 | Cs | -292.286192 | |||||
| 54 | C5v | -276.058231 | D3h | -278.194041 | Cs | -283.532817 | Cs | -291.129765 | D5h | -296.605354 | D5h | -299.477866 | |||||
| 55 | Ih | -283.154531 | Cs | -284.159496 | C1 | -289.358203a | C5v | -297.413420 | C5v | -303.663061 | C5v | -306.733764 | |||||
| 56 | C3v | -287.691892 | C2 | -290.398039 | C2 | -296.263148 | D5h | -304.064330 | D5h | -310.691065 | D5h | -313.981977 | |||||
| 57 | Cs | -292.490914 | Td | -296.039531 | Cs | -302.288570c | Cs | -308.603733 | Cs | -315.238733 | Cs | -318.655257 | |||||
| 58 | C3v | -298.295002 | C3v | -302.562491 | Cs | -309.171713 | C2v | -314.892908 | C2v | -321.914589 | C2v | -325.589970 | |||||
| 59 | C2v | -303.893779 | C2v | -309.038480 | C1 | -315.171713b | Cs | -320.706313 | Cs | -327.501569 | Cs | -331.286991 | |||||
| 60 | Cs | -310.001341 | C3v | -315.474426 | C2 | -321.988253 | C1 | -326.165572 | C1 | -333.705967 | C2v | -338.396340 | |||||
| 61 | C2v | -316.112220 | Td | -321.775834 | C1 | -327.728804 | Cs | -332.499319 | Cs | -339.574283c | Cs | -345.440684 | |||||
| 62 | Cs | -321.789205 | Cs | -326.823952c | Cs | -334.662475 | C1 | -339.138840c | D3h | -346.177037 | D3h | -352.541258 | |||||
| 63 | C1 | -327.901806 | C3v | -333.289735c | Cs | -340.639075 | Cs | -345.885361 | Cs | -351.339146c | C3v | -357.469508 | |||||
| 64 | Cs | -334.013197 | C3 | -339.577727c | C2 | -347.239596c | C2 | -352.249726c | D3h | -358.040393 | Cs | -363.997742 | |||||
| 65 | Cs | -339.910437 | Cs | -345.702127c | Cs | -352.920771 | C1 | -358.785658c | Cs | -363.512662 | Cs | -369.664027 | |||||
| 66 | C1 | -346.360633 | Cs | -352.051080c | C1 | -359.534384 | Cs | -365.735817 | Cs | -370.103112 | Td | -376.666635 | |||||
| 67 | Cs | -352.827543 | C1 | -358.106731c | Cs | -365.780253 | C1 | -372.494895 | D5d | -376.843606a | D5d | -383.146334a | |||||
| 68 | C1 | -359.272795 | Cs | -364.666125 | C1 | -371.831801c | Cs | -378.825463 | C2v | -383.252132c | Cs | -387.691297c | |||||
| 69 | Cs | -365.744424 | C1 | -371.201139 | C1 | -378.279505 | C1 | -384.981542c | Cs | -389.872707c | Cs | -393.796485c | |||||
| 70 | C5v | -372.669868 | C3v | -377.921655c | Cs | -385.326178 | C1 | -391.581513c | Cs | -396.944371 | Cs | -400.540009 | |||||
| 71 | C5v | -379.710375 | Cs | -384.295723c | C1 | -391.564061 | C1 | -398.156558c | C1 | -403.529486 | C1 | -407.410007c | |||||
| 72 | C1 | -385.168824 | Cs | -390.588771c | C1 | -397.654760 | C1 | -404.628675c | Cs | -410.107263 | Cs | -414.312666 | |||||
| 73 | Cs | -391.559518 | C3v | -396.776526c | C1 | -404.046888 | Cs | -411.255891c | C1 | -416.498169 | C1 | -420.923993 | |||||
| 74 | Cs | -397.664635 | Cs | -402.397866c | C1 | -410.534023c | C1 | -418.261933 | C1 | -423.659482 | C2v | -427.714840 | |||||
| 75 | Cs | -403.509173a | Cs | -408.569903c | C1 | -417.299214 | Cs | -425.265743 | C1 | -430.250717 | C1 | -434.557994 | |||||
| 76 | C1 | -409.836259 | C1 | -414.633801c | C1 | -423.812270 | Cs | -431.192388 | C1 | -436.538490c | C2 | -441.662589 | |||||
| 77 | Cs | -416.441050 | C1 | -420.873025c | C1 | -430.684586 | C1 | -437.822083c | C1 | -443.347693c | C1 | -448.595192 | |||||
| 78 | C1 | -422.800176 | C1 | -427.264722c | C1 | -436.990405 | Cs | -444.822988c | C2v | -450.147772 | C2v | -455.747811 | |||||
| 79 | C1 | -429.291308 | C1 | -433.882967c | Cs | -443.855667 | C1 | -451.342508 | Cs | -457.300970 | Cs | -462.413785 | |||||
| 80 | Cs | -436.214492 | C1 | -440.436405c | C1 | -450.392713c | Cs | -457.933230 | Cs | -464.399834 | C2v | -469.652236 | |||||
| 81 | C2v | -443.191273 | C1 | -446.783469c | C1 | -456.626482c | Cs | -464.422970 | C1 | -471.122664c | Cs | -476.399256 | |||||
| 82 | C2v | -448.772200 | S6 | -453.113837 | D2h | -463.282074 | D2h | -471.263190 | C1 | -477.619634c | Cs | -483.437070 | |||||
| 83 | C1 | -455.072951 | C1 | -459.576481c | C1 | -470.061091 | C1 | -477.723147 | C1 | -484.474951 | C1 | -490.324955 | |||||
| 84 | Cs | -461.542943 | C2 | -466.338378c | C1 | -476.669838 | Cs | -484.538812 | Cs | -491.591546 | Cs | -497.524938 | |||||
| 85 | C1 | -468.086930 | C1 | -472.943379c | Cs | -483.671543 | Cs | -491.066290 | C2v | -498.453301 | C1 | -504.660242 | |||||
| 86 | Cs | -474.634175 | C2 | -479.520778c | C1 | -490.630031 | C1 | -497.860282c | Cs | -504.842168 | C2v | -511.844354 | |||||
| 87 | Cs | -481.551013 | C1 | -485.876908c | Cs | -497.578761 | C1 | -504.764331c | C2v | -511.400044 | Cs | -518.785356 | |||||
| 88 | C3v | -488.468369 | C2 | -492.216494c | Cs | -503.728759 | C1 | -511.429454c | Cs | -518.256499 | D6h | -525.996499 | |||||
| 89 | Cs | -494.056891 | C1 | -498.342007c | C1 | -509.762848c | C1 | -517.713603c | C2v | -525.381891 | Cs | -530.791989 | |||||
| 90 | C1 | -500.273073c | Cs | -504.977129 | Cs | -516.704386c | C1 | -524.617913 | Cs | -531.763926 | Cs | -537.327668c | |||||
| 91 | Cs | -506.729133 | Cs | -511.845979 | Cs | -522.859880c | C3v | -531.680233 | C2v | -538.411196 | C2v | -542.989912 | |||||
| 92 | C1 | -513.205038 | C1 | -518.431759 | C2 | -529.175479c | Cs | -538.316013c | C1 | -544.507909 | C1 | -549.757224 | |||||
| 93 | C2v | -519.775813 | C1 | -524.964281 | C1 | -535.438373c | Cs | -544.766420c | C1 | -551.431854 | C2 | -556.443498 | |||||
| 94 | Cs | -526.614509 | Cs | -531.583051 | C2 | -541.710528c | C3v | -551.033813 | C1 | -558.070885c | C1 | -562.801205c | |||||
| 95 | Cs | -533.465067 | C2v | -538.741277 | Cs | -548.732770 | C1 | -557.344364c | C1 | -564.709518c | C1 | -569.480421c | |||||
| 96 | Cs | -539.063361 | C1 | -544.671597 | C1 | -555.145507c | C1 | -563.716640c | C1 | -571.186152c | C1 | -575.910167c | |||||
| 97 | Cs | -545.436537b | C1 | -551.416081 | C1 | -561.876490c | C1 | -570.897065c | Cs | -577.948696c | C1 | -582.370803c | |||||
| 98 | C1 | -551.683813 | C1 | -558.264685 | C2 | -568.603054 | C1 | -578.000233c | C1 | -584.657938c | C1 | -589.359372c | |||||
| 99 | C1 | -558.310074 | C1 | -564.964519 | C1 | -575.609709 | C1 | -585.066165c | C1 | -591.055934 | C1 | -596.343943c | |||||
| 100 | C1 | -564.909753 | C1 | -571.812888 | D3 | -582.701043 | C1 | -591.743842c | C1 | -598.062329c | C1 | -603.372251c |
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